#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nup h TYR 4 N 0.00 0.00 0.02 -1.42 -1.99 -1.98 0.14 116.97 111.74 2nup h TYR 4 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2nup h TYR 4 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2nup h TYR 4 CO 0.00 0.00 -0.15 -0.07 -0.00 0.00 0.00 178.16 177.94 2nup h LEU 5 N 0.00 0.09 -1.09 3.88 3.38 -1.99 -1.69 115.31 117.89 2nup h LEU 5 Ca 0.01 -0.97 0.14 0.00 0.09 0.00 0.00 57.88 57.15 2nup h LEU 5 Cb 0.10 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2nup h LEU 5 CO -0.00 1.05 0.61 -0.33 0.09 0.00 0.00 178.44 179.86 2nup h GLU 6 N -0.86 0.84 0.35 1.13 5.08 -1.76 0.33 114.58 119.71 2nup h GLU 6 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2nup h GLU 6 Cb 1.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2nup h GLU 6 CO 0.03 0.56 -0.26 0.35 -1.00 0.00 0.00 179.01 178.69 2nup h PHE 7 N 0.87 -0.69 -0.62 4.33 3.04 -0.97 0.33 116.94 123.24 2nup h PHE 7 Ca 0.50 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.51 2nup h PHE 7 Cb 0.63 0.25 -0.05 0.00 2.56 0.00 0.00 35.95 39.34 2nup h PHE 7 CO -0.00 -0.39 0.32 0.82 -2.02 0.00 0.00 178.31 177.04 2nup h ILE 8 N -0.61 0.94 0.74 1.41 2.04 -0.27 -1.95 117.51 119.80 2nup h ILE 8 Ca -0.03 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2nup h ILE 8 Cb 0.52 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2nup h ILE 8 CO 0.00 0.11 -0.44 1.56 0.00 0.00 0.00 178.15 179.38 2nup h GLN 9 N 0.60 -1.06 -0.01 2.37 4.20 -0.63 -2.47 115.11 118.11 2nup h GLN 9 Ca 0.28 0.07 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 2nup h GLN 9 Cb 0.20 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2nup h GLN 9 CO -0.19 -0.71 -0.10 1.96 -0.67 0.00 0.00 178.83 179.12 2nup h GLN 10 N -1.10 0.02 0.00 1.46 4.20 -0.87 -1.16 115.11 117.66 2nup h GLN 10 Ca -0.10 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 2nup h GLN 10 Cb 0.88 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2nup h GLN 10 CO 0.10 0.12 -0.47 -0.91 -0.67 0.00 0.00 178.83 177.00 2nup h ASN 11 N 0.02 0.00 0.74 1.46 4.21 -1.27 -1.22 115.58 119.52 2nup h ASN 11 Ca 0.00 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.26 2nup h ASN 11 Cb 0.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 2nup h ASN 11 CO 0.01 0.47 -1.31 -0.08 -1.29 0.00 0.00 177.43 175.23 2nup h GLU 12 N 0.00 0.05 -0.22 0.81 4.81 -0.98 -0.82 114.58 118.24 2nup h GLU 12 Ca -0.00 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 2nup h GLU 12 Cb 1.27 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2nup h GLU 12 CO 0.06 0.86 -0.46 0.93 -0.73 0.00 0.00 179.01 179.67 2nup h GLU 13 N 0.01 0.57 0.05 1.92 5.08 -1.16 -1.31 114.58 119.73 2nup h GLU 13 Ca -0.14 -0.32 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 2nup h GLU 13 Cb 1.89 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 2nup h GLU 13 CO 0.12 0.91 -1.72 -2.13 -1.00 0.00 0.00 179.01 175.19 2nup n ARG 14 N -4.00 0.64 -0.39 2.33 0.63 -0.47 -4.53 116.66 110.87 2nup n ARG 14 Ca -0.02 0.41 0.08 0.00 -0.92 0.00 0.00 57.85 57.40 2nup n ARG 14 Cb 0.55 -1.70 0.24 0.00 0.45 0.00 0.00 32.46 32.00 2nup n ARG 14 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2nup n ASP 15 N -4.00 3.69 -3.89 6.15 8.00 -0.31 -4.84 116.55 121.35 2nup n ASP 15 Ca -0.35 -2.85 -0.32 0.00 0.71 0.00 0.00 54.79 51.98 2nup n ASP 15 Cb 0.85 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2nup n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nup n GLY 16 N -0.36 -0.37 3.18 0.44 0.00 -0.50 -4.80 105.19 102.79 2nup n GLY 16 Ca 0.19 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2nup n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nup s VAL 17 N -2.80 0.99 -0.20 1.61 0.11 -1.25 -1.01 120.40 117.85 2nup s VAL 17 Ca 0.63 -1.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 2nup s VAL 17 Cb -0.37 -1.37 0.10 0.00 -1.53 0.00 0.00 36.38 33.22 2nup s VAL 17 CO 0.77 -0.53 0.33 -0.13 -3.33 0.00 0.00 175.10 172.22 2nup s ARG 18 N -2.74 0.27 0.39 1.54 0.52 -0.91 -3.67 118.95 114.36 2nup s ARG 18 Ca 0.06 0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.84 2nup s ARG 18 Cb -0.03 -0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 2nup s ARG 18 CO 0.00 -0.48 0.69 -0.06 0.02 0.00 0.00 175.30 175.47 2nup s PHE 19 N 2.50 3.51 0.16 -0.53 0.40 -1.26 -0.69 117.98 122.07 2nup s PHE 19 Ca 0.06 0.76 0.17 0.00 -0.60 0.00 0.00 56.93 57.32 2nup s PHE 19 Cb -0.14 -2.23 0.56 0.00 0.51 0.00 0.00 43.02 41.72 2nup s PHE 19 CO -0.13 -0.06 1.68 0.66 0.70 0.00 0.00 175.22 178.07 2nup h SER 20 N 0.93 0.00 -3.48 1.36 4.64 -1.00 -3.40 113.55 112.59 2nup h SER 20 Ca -0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 2nup h SER 20 Cb 1.20 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.00 2nup h SER 20 CO 0.63 0.44 -0.48 0.26 -0.87 0.00 0.00 176.83 176.81 2nup s TRP 21 N -3.54 -0.30 -2.42 4.77 0.52 -1.26 -2.39 118.94 114.32 2nup s TRP 21 Ca 0.00 0.72 0.23 0.00 0.02 0.00 0.00 56.10 57.07 2nup s TRP 21 Cb 0.11 0.05 0.48 0.00 -1.15 0.00 0.00 33.47 32.96 2nup s TRP 21 CO 0.71 -0.20 1.43 0.09 0.02 0.00 0.00 176.95 179.00 2nup n ASN 22 N 3.88 3.31 -3.96 2.95 3.02 -0.73 -4.81 115.26 118.92 2nup n ASN 22 Ca -0.22 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.20 2nup n ASN 22 Cb 0.54 -0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 39.31 2nup n ASN 22 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2nup s VAL 23 N -1.49 0.45 0.23 2.41 1.01 -1.26 -3.70 120.40 118.06 2nup s VAL 23 Ca 0.39 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.26 2nup s VAL 23 Cb 0.22 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 2nup s VAL 23 CO 0.31 0.14 -0.21 0.26 0.00 0.00 0.00 175.10 175.60 2nup s TRP 24 N 0.00 2.23 -0.06 5.22 0.51 -0.75 -4.81 118.94 121.29 2nup s TRP 24 Ca 0.00 -0.36 -0.30 0.00 -2.12 0.00 0.00 56.10 53.32 2nup s TRP 24 Cb -0.04 -1.04 -0.08 0.00 -0.81 0.00 0.00 33.47 31.50 2nup s TRP 24 CO -0.00 0.57 2.05 -0.35 -0.51 0.00 0.00 176.95 178.71 2nup n PRO 25 N -0.14 2.48 0.00 4.98 -0.04 -1.26 -0.43 135.00 140.60 2nup n PRO 25 Ca -0.09 0.85 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 2nup n PRO 25 Cb 0.58 -3.03 0.51 0.00 -0.04 0.00 0.00 33.50 31.52 2nup n PRO 25 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2nup n SER 26 N 8.78 0.33 -4.43 3.54 3.41 -1.26 -4.79 113.62 119.20 2nup n SER 26 Ca 0.24 -0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.50 2nup n SER 26 Cb 0.40 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 2nup n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nup s SER 27 N -2.79 2.95 0.28 4.04 1.04 -1.26 -5.02 113.70 112.94 2nup s SER 27 Ca 0.19 -1.13 0.14 0.00 0.48 0.00 0.00 55.95 55.63 2nup s SER 27 Cb 0.19 -0.20 0.29 0.00 0.10 0.00 0.00 66.02 66.39 2nup s SER 27 CO 0.56 -0.23 1.55 -0.09 0.98 0.00 0.00 173.24 176.00 2nup h ARG 28 N 2.31 0.00 0.00 4.02 2.43 -1.93 -2.30 114.38 118.91 2nup h ARG 28 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2nup h ARG 28 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2nup h ARG 28 CO 0.65 0.58 0.00 1.28 -1.51 0.00 0.00 179.97 180.97 2nup n LEU 29 N -3.47 0.00 -0.02 3.80 4.77 -1.26 -3.09 117.00 117.73 2nup n LEU 29 Ca 0.00 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2nup n LEU 29 Cb 0.67 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2nup n LEU 29 CO 0.41 -0.01 -0.62 1.21 -1.33 0.00 0.00 177.39 177.05 2nup n GLU 30 N -1.18 2.72 -0.01 3.23 4.07 -1.18 -4.30 120.64 123.99 2nup n GLU 30 Ca 0.17 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.17 2nup n GLU 30 Cb 0.18 -1.09 -0.05 0.00 -0.06 0.00 0.00 31.44 30.43 2nup n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nup h ALA 31 N 0.13 0.11 -0.26 4.31 0.00 -1.44 -2.45 119.26 119.66 2nup h ALA 31 Ca -0.09 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2nup h ALA 31 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2nup h ALA 31 CO 0.00 -0.44 -0.09 1.15 0.00 0.00 0.00 179.25 179.88 2nup h THR 32 N 0.07 1.20 -0.52 0.00 2.02 -1.81 -2.80 112.91 111.08 2nup h THR 32 Ca 0.05 -0.86 -0.20 0.00 0.77 0.00 0.00 66.41 66.17 2nup h THR 32 Cb 0.04 1.10 -0.12 0.00 -1.74 0.00 0.00 68.15 67.44 2nup h THR 32 CO -0.07 0.28 0.25 0.54 0.37 0.00 0.00 175.52 176.89 2nup n ARG 33 N -4.25 2.46 -2.59 6.66 1.74 -0.96 -4.91 116.66 114.81 2nup n ARG 33 Ca 0.00 -1.93 -0.42 0.00 -0.77 0.00 0.00 57.85 54.73 2nup n ARG 33 Cb 0.28 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 2nup n ARG 33 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2nup s MET 34 N -2.09 4.48 -0.14 5.56 1.75 -1.02 -4.96 119.30 122.89 2nup s MET 34 Ca 0.35 1.55 -0.28 0.00 -1.25 0.00 0.00 55.69 56.07 2nup s MET 34 Cb 0.29 -3.45 -0.25 0.00 2.84 0.00 0.00 34.83 34.26 2nup s MET 34 CO 0.08 -0.19 0.73 0.28 -0.65 0.00 0.00 175.02 175.27 2nup h VAL 35 N 4.77 1.71 -3.39 10.11 2.07 -1.91 -3.43 116.25 126.18 2nup h VAL 35 Ca -0.39 -2.28 -0.63 0.00 0.82 0.00 0.00 66.70 64.22 2nup h VAL 35 Cb 1.20 3.23 -0.19 0.00 -1.52 0.00 0.00 31.29 34.01 2nup h VAL 35 CO 0.80 0.58 -0.60 -0.69 0.02 0.00 0.00 177.57 177.68 2nup s VAL 36 N -2.19 4.49 0.62 2.57 1.01 -1.26 -5.03 120.40 120.61 2nup s VAL 36 Ca -0.18 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2nup s VAL 36 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2nup s VAL 36 CO 0.66 0.44 1.06 -0.81 0.00 0.00 0.00 175.10 176.44 2nup n PRO 37 N 3.88 0.95 -2.10 2.72 -0.04 -1.26 -4.88 135.00 134.27 2nup n PRO 37 Ca -0.17 0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 2nup n PRO 37 Cb 0.52 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 2nup n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nup s VAL 38 N -1.48 3.68 0.12 0.52 1.01 -1.26 -4.73 120.40 118.26 2nup s VAL 38 Ca 0.78 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 2nup s VAL 38 Cb -0.40 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2nup s VAL 38 CO 0.45 -0.29 0.07 0.00 0.00 0.00 0.00 175.10 175.33 2nup s ALA 39 N 5.23 0.65 -0.00 5.51 0.00 -1.26 -0.98 121.76 130.90 2nup s ALA 39 Ca 0.72 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2nup s ALA 39 Cb -0.25 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2nup s ALA 39 CO 0.29 -0.48 -0.00 0.00 0.00 0.00 0.00 175.76 175.57 2nup s ALA 40 N -4.01 0.05 -0.52 0.00 0.00 -0.61 -0.38 121.76 116.30 2nup s ALA 40 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 2nup s ALA 40 Cb 0.07 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.24 2nup s ALA 40 CO -0.01 -0.01 0.50 -1.17 0.00 0.00 0.00 175.76 175.07 2nup s LEU 41 N 0.15 5.79 -0.22 0.00 2.96 0.13 -0.29 118.68 127.20 2nup s LEU 41 Ca -0.01 -1.51 -0.09 0.00 -0.22 0.00 0.00 54.13 52.29 2nup s LEU 41 Cb -0.02 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2nup s LEU 41 CO -0.00 -0.82 0.11 0.12 -1.32 0.00 0.00 176.35 174.44 2nup s PHE 42 N 1.84 3.26 -0.84 5.38 5.36 0.18 -2.13 117.98 131.03 2nup s PHE 42 Ca 0.05 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2nup s PHE 42 Cb -0.26 -2.20 0.21 0.00 -0.34 0.00 0.00 43.02 40.42 2nup s PHE 42 CO 0.05 0.02 0.71 2.41 -1.46 0.00 0.00 175.22 176.95 2nup n THR 43 N 4.16 2.60 -0.36 0.12 -1.04 -0.18 -1.30 114.28 118.28 2nup n THR 43 Ca -0.16 -5.06 0.34 0.00 -2.04 0.00 0.00 64.05 57.13 2nup n THR 43 Cb 0.52 -2.31 0.60 0.00 -1.82 0.00 0.00 70.33 67.32 2nup n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2nup n PRO 44 N 2.12 -0.05 -1.94 -2.82 -0.04 -1.26 -2.20 135.00 128.80 2nup n PRO 44 Ca 0.22 1.30 -0.26 0.00 -0.04 0.00 0.00 63.50 64.71 2nup n PRO 44 Cb 0.36 -2.40 0.03 0.00 -0.04 0.00 0.00 33.50 31.45 2nup n PRO 44 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nup n LEU 45 N -5.02 5.38 -4.77 1.53 4.77 -1.26 -4.97 117.00 112.66 2nup n LEU 45 Ca 0.38 -4.71 -0.37 0.00 -0.03 0.00 0.00 56.01 51.27 2nup n LEU 45 Cb 1.34 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2nup n LEU 45 CO 0.06 2.02 0.84 -0.75 -1.33 0.00 0.00 177.39 178.23 2nup s LYS 46 N -3.64 3.64 0.50 3.23 2.20 -0.94 -3.89 119.74 120.85 2nup s LYS 46 Ca 0.53 1.82 -0.03 0.00 -0.36 0.00 0.00 55.97 57.93 2nup s LYS 46 Cb 0.43 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 34.39 2nup s LYS 46 CO 0.01 -0.66 0.77 -1.21 -0.36 0.00 0.00 175.35 173.90 2nup s GLU 47 N -2.77 3.10 0.00 4.03 2.02 -1.26 -5.03 118.70 118.78 2nup s GLU 47 Ca 0.65 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.45 2nup s GLU 47 Cb -0.30 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2nup s GLU 47 CO 0.36 -0.41 0.00 2.89 0.02 0.00 0.00 175.26 178.12 2nup n ARG 48 N -2.29 0.00 -2.03 1.61 1.85 -1.26 -5.05 116.66 109.49 2nup n ARG 48 Ca 0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.47 2nup n ARG 48 Cb 0.57 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.98 2nup n ARG 48 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2nup n PRO 49 N 0.00 4.42 -3.83 2.89 -0.04 -1.26 -4.82 135.00 132.36 2nup n PRO 49 Ca 0.00 -3.45 -0.34 0.00 -0.04 0.00 0.00 63.50 59.68 2nup n PRO 49 Cb 0.00 -2.68 0.02 0.00 -0.04 0.00 0.00 33.50 30.80 2nup n PRO 49 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nup n ASP 50 N 2.12 -4.90 -4.50 3.54 8.00 -1.26 -4.93 116.55 114.61 2nup n ASP 50 Ca 0.59 -1.06 -0.29 0.00 0.71 0.00 0.00 54.79 54.75 2nup n ASP 50 Cb 0.26 -2.36 0.25 0.00 -0.02 0.00 0.00 41.12 39.26 2nup n ASP 50 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nup s LEU 51 N -6.29 1.06 -0.19 0.64 1.43 -1.26 -4.97 118.68 109.10 2nup s LEU 51 Ca 0.32 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.91 2nup s LEU 51 Cb -0.15 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2nup s LEU 51 CO 0.91 -4.15 0.42 -2.16 0.23 0.00 0.00 176.35 171.60 2nup s PRO 52 N -4.45 4.19 0.20 1.29 0.04 -1.26 -5.05 135.00 129.96 2nup s PRO 52 Ca 0.68 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 2nup s PRO 52 Cb -0.25 -3.53 -0.08 0.00 0.04 0.00 0.00 34.50 30.67 2nup s PRO 52 CO 0.64 -0.03 1.26 -1.25 0.04 0.00 0.00 177.00 177.66 2nup s PRO 53 N 1.28 4.43 -0.51 0.56 0.04 -1.26 -4.71 135.00 134.83 2nup s PRO 53 Ca 0.20 1.98 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 2nup s PRO 53 Cb -0.15 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2nup s PRO 53 CO 0.08 -0.18 0.61 0.42 0.04 0.00 0.00 177.00 177.97 2nup s ILE 54 N -0.01 4.91 -1.13 0.56 -1.09 -0.55 -4.90 121.20 118.99 2nup s ILE 54 Ca 0.55 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 58.39 2nup s ILE 54 Cb -0.35 -4.30 0.18 0.00 -1.58 0.00 0.00 42.46 36.41 2nup s ILE 54 CO 0.38 -0.81 0.88 0.00 -1.23 0.00 0.00 174.94 174.16 2nup n GLN 55 N 6.07 1.78 -4.47 2.79 6.02 -1.26 -0.42 117.38 127.89 2nup n GLN 55 Ca -0.08 -0.70 -0.29 0.00 -0.01 0.00 0.00 57.00 55.92 2nup n GLN 55 Cb 0.45 -1.54 -0.13 0.00 1.02 0.00 0.00 30.24 30.04 2nup n GLN 55 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2nup s TYR 56 N -1.50 2.34 0.31 1.08 -0.85 -1.26 -4.86 117.35 112.61 2nup s TYR 56 Ca 0.12 -0.37 -0.26 0.00 -0.52 0.00 0.00 57.07 56.04 2nup s TYR 56 Cb 0.09 -1.29 -0.14 0.00 0.38 0.00 0.00 41.96 41.00 2nup s TYR 56 CO 0.05 0.31 0.79 -1.91 -1.52 0.00 0.00 175.55 173.27 2nup n GLU 57 N 1.05 0.87 -0.30 -3.49 4.07 -1.26 -4.66 120.64 116.93 2nup n GLU 57 Ca -0.18 0.31 0.04 0.00 -0.06 0.00 0.00 57.16 57.28 2nup n GLU 57 Cb 0.53 -1.59 0.24 0.00 -0.06 0.00 0.00 31.44 30.56 2nup n GLU 57 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2nup h PRO 58 N 1.45 0.99 -0.70 5.31 0.13 -1.92 -3.49 132.00 133.78 2nup h PRO 58 Ca -0.38 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2nup h PRO 58 Cb 1.38 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2nup h PRO 58 CO 0.57 0.66 0.00 0.28 -0.23 0.00 0.00 178.00 179.28 2nup n VAL 59 N -4.49 -0.71 -4.03 1.56 0.31 -1.26 -4.59 118.33 105.11 2nup n VAL 59 Ca 0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.24 2nup n VAL 59 Cb 0.20 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 2nup n VAL 59 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nup s LEU 60 N 0.00 3.33 0.23 7.52 1.43 -1.26 -2.41 118.68 127.52 2nup s LEU 60 Ca 0.00 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 2nup s LEU 60 Cb 0.00 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2nup s LEU 60 CO 0.00 -0.32 0.89 0.00 0.23 0.00 0.00 176.35 177.15 2nup s SER 62 N -1.25 6.80 -0.34 0.00 1.04 -1.26 -3.92 113.70 114.77 2nup s SER 62 Ca 0.41 -2.35 -0.07 0.00 0.48 0.00 0.00 55.95 54.41 2nup s SER 62 Cb -0.24 -2.45 0.19 0.00 0.10 0.00 0.00 66.02 63.62 2nup s SER 62 CO 0.29 -1.03 1.02 -0.60 0.98 0.00 0.00 173.24 173.90 2nup s ARG 63 N 2.85 0.24 0.00 4.02 3.52 -1.26 -4.92 118.95 123.40 2nup s ARG 63 Ca 0.41 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 2nup s ARG 63 Cb -0.02 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2nup s ARG 63 CO -0.04 -0.34 0.00 2.41 -0.81 0.00 0.00 175.30 176.52 2nup n THR 64 N 3.53 0.00 0.34 4.11 -1.04 -1.26 -0.42 114.28 119.54 2nup n THR 64 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 2nup n THR 64 Cb 0.63 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.08 2nup n THR 64 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2nup h THR 65 N 0.00 0.00 0.00 12.58 1.35 -1.97 -3.41 112.91 121.46 2nup h THR 65 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2nup h THR 65 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2nup h THR 65 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2nup n ARG 67 N -0.23 -4.35 -1.17 0.00 1.74 -1.20 -4.99 116.66 106.46 2nup n ARG 67 Ca 0.00 0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 57.69 2nup n ARG 67 Cb 0.00 -5.67 0.18 0.00 -1.02 0.00 0.00 32.46 25.95 2nup n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nup s ALA 68 N -3.14 0.88 -0.11 7.54 0.00 -1.26 -4.29 121.76 121.37 2nup s ALA 68 Ca 0.25 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 2nup s ALA 68 Cb -0.11 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2nup s ALA 68 CO 0.32 -2.94 0.24 0.08 0.00 0.00 0.00 175.76 173.46 2nup s VAL 69 N -2.98 5.33 -0.22 0.00 1.01 -1.26 -1.31 120.40 120.97 2nup s VAL 69 Ca 0.66 0.44 -0.39 0.00 0.00 0.00 0.00 61.98 62.69 2nup s VAL 69 Cb -0.18 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 2nup s VAL 69 CO 0.57 0.52 1.72 -0.11 0.00 0.00 0.00 175.10 177.81 2nup n LEU 70 N 2.59 2.44 -4.29 3.92 7.94 -1.01 -4.95 117.00 123.63 2nup n LEU 70 Ca -0.16 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.65 2nup n LEU 70 Cb 0.53 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.21 2nup n LEU 70 CO 0.36 -0.45 -0.23 0.54 -1.11 0.00 0.00 177.39 176.50 2nup s ASN 71 N 3.27 1.04 0.63 1.96 2.20 -1.26 -4.78 114.94 118.01 2nup s ASN 71 Ca 0.96 -1.44 0.34 0.00 -0.94 0.00 0.00 52.86 51.78 2nup s ASN 71 Cb -1.01 0.29 1.88 0.00 -2.00 0.00 0.00 41.25 40.40 2nup s ASN 71 CO 0.62 -0.81 2.13 -0.65 -2.94 0.00 0.00 177.10 175.45 2nup h PRO 72 N 2.39 0.00 0.00 3.55 0.11 -1.58 0.51 132.00 136.98 2nup h PRO 72 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2nup h PRO 72 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2nup h PRO 72 CO 0.56 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.28 2nup h LEU 73 N 0.00 0.00 -9.77 2.35 3.38 -1.90 -3.46 115.31 105.92 2nup h LEU 73 Ca 0.04 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.48 2nup h LEU 73 Cb 0.39 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.20 2nup h LEU 73 CO -0.00 0.00 0.69 0.00 0.09 0.00 0.00 178.44 179.22 2nup s GLN 75 N -0.74 4.22 0.37 0.00 -0.21 -1.06 -4.92 119.66 117.32 2nup s GLN 75 Ca 0.55 0.86 0.08 0.00 0.02 0.00 0.00 55.36 56.87 2nup s GLN 75 Cb -0.39 -3.61 -0.02 0.00 1.00 0.00 0.00 33.01 29.99 2nup s GLN 75 CO 0.45 -0.38 0.36 0.08 -2.12 0.00 0.00 175.29 173.67 2nup s VAL 76 N 2.37 3.19 -0.46 1.09 1.01 -1.26 -0.24 120.40 126.10 2nup s VAL 76 Ca 0.34 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.07 2nup s VAL 76 Cb -0.16 -3.11 0.20 0.00 0.00 0.00 0.00 36.38 33.31 2nup s VAL 76 CO 0.10 -0.09 0.59 -0.67 0.00 0.00 0.00 175.10 175.03 2nup n ASP 77 N -1.50 -1.94 0.15 3.32 2.03 0.14 -4.95 116.55 113.79 2nup n ASP 77 Ca 0.01 -2.75 0.05 0.00 0.52 0.00 0.00 54.79 52.62 2nup n ASP 77 Cb 0.60 0.69 0.27 0.00 -0.72 0.00 0.00 41.12 41.97 2nup n ASP 77 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2nup n TYR 78 N 2.55 0.34 -0.04 -0.67 4.02 -1.26 -1.10 117.16 121.01 2nup n TYR 78 Ca 0.21 0.18 -0.10 0.00 -0.01 0.00 0.00 57.90 58.18 2nup n TYR 78 Cb 0.54 -0.53 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 2nup n TYR 78 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2nup h ARG 79 N 0.00 -0.05 -0.20 -0.72 2.43 -1.95 -3.33 114.38 110.57 2nup h ARG 79 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nup h ARG 79 Cb 0.74 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2nup h ARG 79 CO 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 2nup n ALA 80 N -2.63 2.50 -4.05 2.80 0.00 -0.26 -4.90 120.51 113.98 2nup n ALA 80 Ca -0.07 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 2nup n ALA 80 Cb 0.31 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2nup n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nup n LYS 81 N 0.17 -3.42 -4.13 0.00 4.76 -0.64 -4.90 118.16 110.00 2nup n LYS 81 Ca 0.12 0.41 -0.16 0.00 -2.87 0.00 0.00 58.31 55.81 2nup n LYS 81 Cb 0.24 -4.79 -0.12 0.00 -1.84 0.00 0.00 35.03 28.52 2nup n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nup s LEU 82 N -7.10 2.29 -0.00 -0.35 1.43 -1.15 -2.23 118.68 111.57 2nup s LEU 82 Ca 0.31 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2nup s LEU 82 Cb -0.17 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 2nup s LEU 82 CO 0.90 -0.16 0.04 -1.66 0.23 0.00 0.00 176.35 175.69 2nup s TRP 83 N -1.54 0.06 -0.22 0.29 1.48 -0.56 -0.69 118.94 117.76 2nup s TRP 83 Ca -0.04 -0.12 -0.05 0.00 -1.06 0.00 0.00 56.10 54.83 2nup s TRP 83 Cb -0.09 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.14 2nup s TRP 83 CO 0.01 -0.12 0.01 0.00 -4.06 0.00 0.00 176.95 172.79 2nup s ALA 84 N -0.66 3.02 0.36 2.67 0.00 0.67 0.16 121.76 127.98 2nup s ALA 84 Ca -0.07 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 2nup s ALA 84 Cb -0.05 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 21.12 2nup s ALA 84 CO -0.00 -0.30 1.40 0.00 0.00 0.00 0.00 175.76 176.85 2nup h ASN 86 N 2.78 0.00 0.11 0.00 -1.07 -1.89 -2.00 115.58 113.51 2nup h ASN 86 Ca -0.48 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 55.73 2nup h ASN 86 Cb 1.26 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.53 2nup h ASN 86 CO 0.63 0.08 -0.69 -0.26 0.07 0.00 0.00 177.43 177.27 2nup h PHE 87 N 0.00 0.49 0.00 4.14 -1.00 -1.94 -3.39 116.94 115.24 2nup h PHE 87 Ca -0.00 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.44 2nup h PHE 87 Cb 1.07 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2nup h PHE 87 CO 0.00 1.25 -0.00 0.00 -1.61 0.00 0.00 178.31 177.95 2nup n TYR 89 N -0.53 0.00 -1.53 0.00 4.02 -0.75 -4.91 117.16 113.46 2nup n TYR 89 Ca 0.01 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.41 2nup n TYR 89 Cb 0.30 -0.65 -0.04 0.00 -0.02 0.00 0.00 39.34 38.93 2nup n TYR 89 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2nup n GLN 90 N -1.80 0.82 -3.74 -0.72 -0.06 -1.26 -4.34 117.38 106.27 2nup n GLN 90 Ca 0.00 0.29 -0.36 0.00 -2.00 0.00 0.00 57.00 54.93 2nup n GLN 90 Cb 0.00 -1.64 -0.07 0.00 -4.06 0.00 0.00 30.24 24.46 2nup n GLN 90 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2nup s ARG 91 N -0.75 4.02 0.15 3.69 0.52 -1.26 -0.56 118.95 124.76 2nup s ARG 91 Ca 0.70 -0.16 0.07 0.00 -0.52 0.00 0.00 55.73 55.81 2nup s ARG 91 Cb -0.88 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.19 2nup s ARG 91 CO 0.55 0.41 0.01 -0.80 0.02 0.00 0.00 175.30 175.49 2nup s ASN 92 N 0.03 4.87 -0.03 0.23 0.01 0.42 -4.91 114.94 115.56 2nup s ASN 92 Ca 0.11 -0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 51.87 2nup s ASN 92 Cb -0.11 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.42 2nup s ASN 92 CO 0.00 0.11 0.22 -1.58 -1.51 0.00 0.00 177.10 174.33 2nup s GLN 93 N -2.81 3.52 0.42 -0.60 0.74 -1.26 -1.50 119.66 118.17 2nup s GLN 93 Ca 0.27 -0.14 -0.23 0.00 0.05 0.00 0.00 55.36 55.32 2nup s GLN 93 Cb -0.10 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 30.80 2nup s GLN 93 CO 0.19 0.69 1.02 -0.06 -0.55 0.00 0.00 175.29 176.58 2nup s PHE 94 N -1.23 3.22 0.59 1.67 0.40 -0.95 -4.94 117.98 116.75 2nup s PHE 94 Ca 0.24 1.63 -0.16 0.00 -0.60 0.00 0.00 56.93 58.04 2nup s PHE 94 Cb -0.13 -3.05 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2nup s PHE 94 CO 0.13 -0.54 1.06 -1.25 0.70 0.00 0.00 175.22 175.32 2nup s PRO 95 N -2.80 3.34 0.28 0.24 0.04 -1.26 -4.91 135.00 129.94 2nup s PRO 95 Ca 0.61 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2nup s PRO 95 Cb -0.18 -2.04 0.60 0.00 0.04 0.00 0.00 34.50 32.93 2nup s PRO 95 CO 0.23 -0.79 1.59 -1.00 0.04 0.00 0.00 177.00 177.06 2nup h PRO 96 N 0.51 0.04 0.00 0.56 0.13 -2.02 0.45 132.00 131.67 2nup h PRO 96 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2nup h PRO 96 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2nup h PRO 96 CO 0.57 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 2nup n SER 97 N -5.47 0.03 -0.97 1.44 3.41 -1.26 -1.05 113.62 109.74 2nup n SER 97 Ca 0.19 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2nup n SER 97 Cb 0.62 -0.52 0.23 0.00 -0.26 0.00 0.00 64.21 64.29 2nup n SER 97 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2nup n TYR 98 N -1.54 0.72 -0.17 7.33 4.02 0.16 -4.64 117.16 123.04 2nup n TYR 98 Ca 0.01 -0.51 -0.02 0.00 -0.01 0.00 0.00 57.90 57.37 2nup n TYR 98 Cb 0.04 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 39.41 2nup n TYR 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nup h ALA 99 N 3.05 0.63 0.00 -0.72 0.00 -1.10 -0.72 119.26 120.40 2nup h ALA 99 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nup h ALA 99 Cb 0.87 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2nup h ALA 99 CO 0.01 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.42 2nup n GLY 100 N -1.28 0.22 3.71 0.00 0.00 -1.26 -4.87 105.19 101.71 2nup n GLY 100 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2nup n GLY 100 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2nup n ILE 101 N -0.20 1.56 -4.10 -0.61 0.00 -0.28 -4.99 119.36 110.74 2nup n ILE 101 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 62.75 62.27 2nup n ILE 101 Cb 0.11 -1.64 -0.09 0.00 0.00 0.00 0.00 39.64 38.01 2nup n ILE 101 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2nup s SER 102 N -0.00 0.27 -0.00 9.51 1.04 -1.13 -5.06 113.70 118.33 2nup s SER 102 Ca 0.60 -1.10 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 2nup s SER 102 Cb -0.57 0.32 -0.18 0.00 0.10 0.00 0.00 66.02 65.68 2nup s SER 102 CO 0.57 -0.75 1.26 -0.33 0.98 0.00 0.00 173.24 174.97 2nup h GLU 103 N 2.83 0.19 -1.21 4.02 4.39 -1.94 -2.88 114.58 119.97 2nup h GLU 103 Ca -0.34 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.04 2nup h GLU 103 Cb 1.20 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 2nup h GLU 103 CO 0.58 0.68 0.26 1.28 -1.16 0.00 0.00 179.01 180.64 2nup n LEU 104 N -4.66 4.93 0.00 1.33 4.77 -1.26 -4.19 117.00 117.92 2nup n LEU 104 Ca -0.08 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 2nup n LEU 104 Cb 0.34 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2nup n LEU 104 CO 0.37 0.85 0.00 0.59 -1.33 0.00 0.00 177.39 177.87 2nup n ASN 105 N 0.17 0.00 -4.78 -1.43 4.13 -1.20 -5.19 115.26 106.95 2nup n ASN 105 Ca 0.21 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.25 2nup n ASN 105 Cb 0.79 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.98 2nup n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2nup s GLN 106 N 0.00 2.45 0.40 3.52 -2.07 -1.09 -2.82 119.66 120.06 2nup s GLN 106 Ca 0.00 -1.53 -0.27 0.00 -1.82 0.00 0.00 55.36 51.74 2nup s GLN 106 Cb 0.00 -2.25 -0.10 0.00 -1.09 0.00 0.00 33.01 29.58 2nup s GLN 106 CO 0.00 0.03 1.45 -1.25 -1.32 0.00 0.00 175.29 174.20 2nup s PRO 107 N -3.93 3.95 0.16 9.60 0.04 -1.26 -4.94 135.00 138.62 2nup s PRO 107 Ca 0.40 2.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.74 2nup s PRO 107 Cb -0.02 -2.85 0.08 0.00 0.04 0.00 0.00 34.50 31.75 2nup s PRO 107 CO 0.24 -0.63 1.65 0.00 0.04 0.00 0.00 177.00 178.31 2nup h ALA 108 N 2.75 0.13 0.00 8.56 0.00 -1.98 -2.59 119.26 126.11 2nup h ALA 108 Ca -0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2nup h ALA 108 Cb 1.25 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2nup h ALA 108 CO 0.63 -0.53 0.14 -0.85 0.00 0.00 0.00 179.25 178.64 2nup n GLU 109 N -5.34 0.00 -0.03 0.00 0.00 -1.26 -0.96 120.64 113.05 2nup n GLU 109 Ca 0.01 0.19 0.04 0.00 0.00 0.00 0.00 57.16 57.40 2nup n GLU 109 Cb 0.25 -1.64 -0.15 0.00 0.00 0.00 0.00 31.44 29.90 2nup n GLU 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2nup n LEU 110 N -1.11 0.14 -4.73 -1.84 4.77 -0.98 -2.23 117.00 111.02 2nup n LEU 110 Ca 0.00 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 2nup n LEU 110 Cb 0.14 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2nup n LEU 110 CO 0.00 0.16 1.01 -0.76 -1.33 0.00 0.00 177.39 176.46 2nup s LEU 111 N -4.99 4.39 0.46 2.23 1.43 -0.13 -4.00 118.68 118.06 2nup s LEU 111 Ca -0.08 2.34 0.20 0.00 -1.03 0.00 0.00 54.13 55.56 2nup s LEU 111 Cb 0.11 -3.60 1.07 0.00 0.03 0.00 0.00 46.19 43.80 2nup s LEU 111 CO 0.87 -0.57 1.55 -0.65 0.23 0.00 0.00 176.35 177.77 2nup h PRO 112 N 6.08 0.00 0.03 1.29 0.11 -1.91 0.18 132.00 137.78 2nup h PRO 112 Ca -0.43 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.45 2nup h PRO 112 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2nup h PRO 112 CO 0.81 0.00 -1.06 1.96 -0.21 0.00 0.00 178.00 179.50 2nup h GLN 113 N 0.00 0.06 -1.01 1.05 4.20 -1.92 -3.28 115.11 114.22 2nup h GLN 113 Ca 0.00 -0.11 -0.50 0.00 0.06 0.00 0.00 58.65 58.10 2nup h GLN 113 Cb 0.62 0.04 -0.29 0.00 0.30 0.00 0.00 27.48 28.15 2nup h GLN 113 CO 0.00 1.05 0.64 1.19 -0.67 0.00 0.00 178.83 181.04 2nup n PHE 114 N -3.39 2.92 -2.52 2.96 0.99 0.62 -4.84 117.46 114.20 2nup n PHE 114 Ca -0.02 -1.88 -0.35 0.00 -0.00 0.00 0.00 57.45 55.19 2nup n PHE 114 Cb 0.96 -0.96 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 2nup n PHE 114 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2nup s SER 115 N -1.21 6.53 -0.27 4.37 1.04 -1.23 -3.91 113.70 119.01 2nup s SER 115 Ca 0.54 2.01 -0.00 0.00 0.48 0.00 0.00 55.95 58.99 2nup s SER 115 Cb 0.46 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2nup s SER 115 CO 0.09 -0.65 0.01 -0.24 0.98 0.00 0.00 173.24 173.43 2nup n SER 116 N -0.49 -7.34 -3.80 7.02 2.88 -0.85 -4.91 113.62 106.13 2nup n SER 116 Ca 0.07 1.26 -0.10 0.00 -1.33 0.00 0.00 58.87 58.77 2nup n SER 116 Cb 0.51 -4.84 -0.07 0.00 -0.75 0.00 0.00 64.21 59.05 2nup n SER 116 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2nup s ILE 117 N -1.46 0.11 -0.11 2.46 2.07 0.24 -4.94 121.20 119.57 2nup s ILE 117 Ca 0.00 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.39 2nup s ILE 117 Cb -0.00 -1.07 0.01 0.00 0.13 0.00 0.00 42.46 41.52 2nup s ILE 117 CO 0.69 -0.49 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.32 2nup s GLU 118 N -3.06 2.84 0.28 3.50 2.12 -1.26 0.01 118.70 123.12 2nup s GLU 118 Ca -0.01 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.58 2nup s GLU 118 Cb 0.01 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 2nup s GLU 118 CO -0.07 0.08 0.32 0.71 -0.54 0.00 0.00 175.26 175.76 2nup s TYR 119 N 0.59 3.19 -0.05 5.30 1.51 -0.02 -1.48 117.35 126.39 2nup s TYR 119 Ca -0.13 -0.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 2nup s TYR 119 Cb -0.17 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2nup s TYR 119 CO 0.04 0.34 -0.25 0.08 -1.11 0.00 0.00 175.55 174.65 2nup s VAL 120 N -2.12 2.07 -0.28 0.71 1.01 0.45 -1.34 120.40 120.89 2nup s VAL 120 Ca 0.37 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2nup s VAL 120 Cb -0.08 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2nup s VAL 120 CO 0.28 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 175.21 2nup s VAL 121 N -0.30 2.53 -0.20 2.92 1.01 -0.92 -4.39 120.40 121.05 2nup s VAL 121 Ca 0.01 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.36 2nup s VAL 121 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2nup s VAL 121 CO 0.02 -0.10 -0.01 -0.76 0.00 0.00 0.00 175.10 174.25 2nup s LEU 122 N 1.15 3.21 0.08 3.92 1.43 -1.26 -3.93 118.68 123.28 2nup s LEU 122 Ca -0.06 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2nup s LEU 122 Cb -0.20 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2nup s LEU 122 CO -0.04 0.07 0.00 -1.14 0.23 0.00 0.00 176.35 175.47 2nup n ARG 123 N 4.23 0.00 -3.35 1.70 0.63 -1.26 -5.12 116.66 113.48 2nup n ARG 123 Ca -0.17 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.48 2nup n ARG 123 Cb 0.52 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.40 2nup n ARG 123 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2nup s GLY 124 N -2.00 1.77 -0.32 5.14 0.00 -1.26 -5.02 107.32 105.63 2nup s GLY 124 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 2nup s GLY 124 CO 0.00 -0.53 1.10 2.56 0.00 0.00 0.00 173.10 176.23 2nup s PRO 125 N -3.67 4.04 0.34 2.90 0.04 -1.26 -4.96 135.00 132.42 2nup s PRO 125 Ca 0.43 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 2nup s PRO 125 Cb -0.11 -3.76 -0.14 0.00 0.04 0.00 0.00 34.50 30.53 2nup s PRO 125 CO 0.31 -0.94 0.56 1.04 0.04 0.00 0.00 177.00 178.01 2nup n GLN 126 N 6.96 0.49 -2.98 4.56 6.02 -1.26 -4.96 117.38 126.21 2nup n GLN 126 Ca 0.12 0.18 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 2nup n GLN 126 Cb 0.47 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 2nup n GLN 126 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2nup s MET 127 N -1.35 4.41 0.37 -1.09 -1.94 -1.26 -5.04 119.30 113.39 2nup s MET 127 Ca 0.62 1.06 -0.25 0.00 -1.71 0.00 0.00 55.69 55.41 2nup s MET 127 Cb -0.71 -2.92 -0.09 0.00 2.01 0.00 0.00 34.83 33.12 2nup s MET 127 CO 0.59 0.39 1.03 -1.25 -0.01 0.00 0.00 175.02 175.76 2nup s PRO 128 N -1.86 4.32 0.50 2.03 0.04 -1.26 -4.78 135.00 133.98 2nup s PRO 128 Ca 0.44 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 2nup s PRO 128 Cb -0.18 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 2nup s PRO 128 CO 0.23 -0.00 1.18 -0.51 0.04 0.00 0.00 177.00 177.93 2nup s LEU 129 N -2.37 3.91 -0.14 -3.56 1.43 -1.26 -4.69 118.68 111.99 2nup s LEU 129 Ca 0.55 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.98 2nup s LEU 129 Cb -0.22 -4.35 -0.00 0.00 0.03 0.00 0.00 46.19 41.64 2nup s LEU 129 CO 0.28 -1.10 -0.17 -0.63 0.23 0.00 0.00 176.35 174.97 2nup s ILE 130 N -1.58 2.58 -0.10 -0.59 1.01 -1.19 0.10 121.20 121.43 2nup s ILE 130 Ca 0.68 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2nup s ILE 130 Cb -0.29 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2nup s ILE 130 CO 0.34 0.52 -0.20 -0.36 0.00 0.00 0.00 174.94 175.24 2nup s PHE 131 N 0.71 2.26 -0.25 3.97 0.40 -0.07 0.85 117.98 125.85 2nup s PHE 131 Ca -0.07 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.32 2nup s PHE 131 Cb -0.16 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.89 2nup s PHE 131 CO 0.01 -0.41 -0.04 -1.17 0.70 0.00 0.00 175.22 174.31 2nup s LEU 132 N 0.52 2.89 -0.08 -0.37 2.96 0.35 -1.41 118.68 123.54 2nup s LEU 132 Ca -0.16 -1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 52.14 2nup s LEU 132 Cb -0.17 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 2nup s LEU 132 CO 0.06 -0.26 0.87 -0.31 -1.32 0.00 0.00 176.35 175.39 2nup s TYR 133 N 1.32 3.55 -0.26 5.38 1.51 -0.48 -1.40 117.35 126.96 2nup s TYR 133 Ca -0.03 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 57.49 2nup s TYR 133 Cb -0.19 -3.02 0.06 0.00 -0.11 0.00 0.00 41.96 38.70 2nup s TYR 133 CO -0.08 -0.08 -0.09 0.08 -1.11 0.00 0.00 175.55 174.26 2nup s VAL 134 N 1.44 2.29 -0.15 0.71 1.01 -0.32 -0.11 120.40 125.27 2nup s VAL 134 Ca 0.44 -1.59 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 2nup s VAL 134 Cb -0.18 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2nup s VAL 134 CO 0.19 -0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.44 2nup s VAL 135 N 1.13 2.99 0.27 2.92 1.01 0.34 -1.36 120.40 127.69 2nup s VAL 135 Ca -0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2nup s VAL 135 Cb -0.20 -2.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 2nup s VAL 135 CO -0.04 0.51 0.99 -0.62 0.00 0.00 0.00 175.10 175.93 2nup s ASP 136 N 0.60 7.45 -0.01 3.32 2.15 -0.97 -0.12 116.67 129.09 2nup s ASP 136 Ca -0.08 2.02 0.02 0.00 0.43 0.00 0.00 52.55 54.94 2nup s ASP 136 Cb -0.16 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.90 2nup s ASP 136 CO 0.03 0.01 1.03 0.35 -0.17 0.00 0.00 175.17 176.42 2nup n THR 137 N 1.16 1.05 -3.36 1.71 -2.24 -0.33 -4.86 114.28 107.42 2nup n THR 137 Ca -0.01 -1.07 -0.44 0.00 -2.27 0.00 0.00 64.05 60.26 2nup n THR 137 Cb 0.47 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2nup n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nup s MET 139 N -1.31 1.33 0.63 0.00 0.23 -1.26 -4.60 119.30 114.32 2nup s MET 139 Ca 0.31 -0.73 -0.18 0.00 -1.03 0.00 0.00 55.69 54.06 2nup s MET 139 Cb -0.10 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2nup s MET 139 CO -0.08 -0.61 1.25 -1.21 -2.03 0.00 0.00 175.02 172.34 2nup s GLU 140 N -3.44 2.68 0.15 3.16 0.41 -1.26 -4.73 118.70 115.67 2nup s GLU 140 Ca 0.12 1.94 -0.19 0.00 -0.41 0.00 0.00 54.97 56.43 2nup s GLU 140 Cb -0.02 -1.88 0.03 0.00 -1.78 0.00 0.00 34.13 30.48 2nup s GLU 140 CO 0.03 -1.47 1.69 -0.44 -0.49 0.00 0.00 175.26 174.58 2nup h ASP 141 N 0.59 -0.27 0.02 -0.19 5.19 -1.98 0.46 116.42 120.24 2nup h ASP 141 Ca -0.50 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2nup h ASP 141 Cb 1.32 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 2nup h ASP 141 CO 0.54 -0.10 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.20 2nup h GLU 142 N 0.00 0.04 -0.01 3.56 5.08 -1.99 0.44 114.58 121.70 2nup h GLU 142 Ca 0.14 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 2nup h GLU 142 Cb 0.22 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2nup h GLU 142 CO -0.30 0.08 -0.98 -0.44 -1.00 0.00 0.00 179.01 176.37 2nup h ASP 143 N 0.05 0.77 0.05 1.42 3.45 -1.47 -2.58 116.42 118.11 2nup h ASP 143 Ca 0.01 -0.61 -0.19 0.00 0.43 0.00 0.00 57.03 56.67 2nup h ASP 143 Cb 0.09 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.62 2nup h ASP 143 CO 0.00 1.40 -0.70 0.25 -1.57 0.00 0.00 179.24 178.63 2nup h LEU 144 N 0.35 0.68 -0.39 1.55 5.85 0.99 -2.14 115.31 122.20 2nup h LEU 144 Ca -0.10 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 2nup h LEU 144 Cb 1.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 2nup h LEU 144 CO 0.18 1.18 0.14 -0.61 -0.34 0.00 0.00 178.44 178.99 2nup h GLN 145 N 0.41 0.60 0.37 1.25 4.15 -0.22 0.93 115.11 122.60 2nup h GLN 145 Ca -0.03 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 2nup h GLN 145 Cb 1.28 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2nup h GLN 145 CO 0.13 0.59 -0.38 0.00 -1.93 0.00 0.00 178.83 177.24 2nup h ALA 146 N 0.98 -0.82 -0.76 3.38 0.00 -1.43 -0.92 119.26 119.69 2nup h ALA 146 Ca 0.13 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2nup h ALA 146 Cb 0.23 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 2nup h ALA 146 CO -0.01 -1.00 0.26 1.25 0.00 0.00 0.00 179.25 179.76 2nup h LEU 147 N -0.77 0.18 -0.30 0.00 5.85 -1.14 0.05 115.31 119.18 2nup h LEU 147 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2nup h LEU 147 Cb 0.70 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2nup h LEU 147 CO -0.07 0.03 0.19 0.11 -0.34 0.00 0.00 178.44 178.36 2nup h LYS 148 N 0.37 0.40 -0.14 1.25 1.57 -0.38 -2.01 116.57 117.63 2nup h LYS 148 Ca 0.43 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2nup h LYS 148 Cb 0.71 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2nup h LYS 148 CO -0.46 0.28 0.08 0.93 -0.57 0.00 0.00 179.45 179.72 2nup h GLU 149 N 0.39 0.18 -0.99 3.15 5.08 0.24 -1.54 114.58 121.10 2nup h GLU 149 Ca 0.11 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.62 2nup h GLU 149 Cb -0.02 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 2nup h GLU 149 CO -0.02 0.15 0.60 0.77 -1.00 0.00 0.00 179.01 179.51 2nup h SER 150 N 0.16 0.81 0.51 1.42 0.02 -0.81 -0.59 113.55 115.06 2nup h SER 150 Ca 0.05 0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.89 2nup h SER 150 Cb 0.02 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2nup h SER 150 CO -0.01 0.34 -0.84 0.24 -1.14 0.00 0.00 176.83 175.42 2nup h MET 151 N 0.83 0.24 0.00 3.45 2.86 -1.07 -2.37 114.93 118.87 2nup h MET 151 Ca 0.54 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 2nup h MET 151 Cb 0.74 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2nup h MET 151 CO -0.34 0.95 -0.42 1.96 1.06 0.00 0.00 176.91 180.12 2nup h GLN 152 N 0.14 0.00 -0.08 1.72 4.20 -0.21 -2.36 115.11 118.52 2nup h GLN 152 Ca -0.04 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2nup h GLN 152 Cb 1.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2nup h GLN 152 CO 0.13 0.42 -0.24 1.98 -0.67 0.00 0.00 178.83 180.45 2nup h MET 153 N 0.00 0.30 -0.46 1.46 4.05 -0.98 -3.08 114.93 116.22 2nup h MET 153 Ca -0.00 -0.22 0.05 0.00 -0.28 0.00 0.00 59.70 59.25 2nup h MET 153 Cb 0.77 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 2nup h MET 153 CO 0.05 0.84 0.31 0.66 0.23 0.00 0.00 176.91 179.00 2nup h SER 154 N -0.19 0.36 0.32 1.39 4.64 -1.26 -1.24 113.55 117.56 2nup h SER 154 Ca -0.01 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2nup h SER 154 Cb 0.86 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2nup h SER 154 CO 0.05 0.24 -0.21 0.25 -0.87 0.00 0.00 176.83 176.28 2nup h LEU 155 N 0.41 0.00 0.00 5.97 5.85 -1.34 -2.24 115.31 123.96 2nup h LEU 155 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2nup h LEU 155 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2nup h LEU 155 CO -0.05 0.21 -0.01 -1.54 -0.34 0.00 0.00 178.44 176.71 2nup n SER 156 N -3.99 0.45 -0.01 1.25 3.41 -0.47 -3.45 113.62 110.80 2nup n SER 156 Ca -0.02 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.13 2nup n SER 156 Cb 0.29 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 2nup n SER 156 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nup n LEU 157 N -1.92 0.39 -4.69 1.04 4.77 -0.86 -4.99 117.00 110.73 2nup n LEU 157 Ca 0.06 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.84 2nup n LEU 157 Cb 0.39 0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 2nup n LEU 157 CO 0.29 0.18 0.80 0.18 -1.33 0.00 0.00 177.39 177.50 2nup n LEU 158 N -2.66 5.29 -4.76 2.23 4.77 -1.10 -4.97 117.00 115.79 2nup n LEU 158 Ca -0.14 0.83 -0.41 0.00 -0.03 0.00 0.00 56.01 56.26 2nup n LEU 158 Cb 0.83 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 2nup n LEU 158 CO 0.44 -1.24 1.07 -2.84 -1.33 0.00 0.00 177.39 173.49 2nup s PRO 159 N -3.15 4.26 0.54 3.23 0.02 -1.26 -4.90 135.00 133.75 2nup s PRO 159 Ca 0.80 2.34 0.28 0.00 0.02 0.00 0.00 61.00 64.44 2nup s PRO 159 Cb -0.39 -3.06 1.45 0.00 0.02 0.00 0.00 34.50 32.51 2nup s PRO 159 CO 0.43 -0.36 1.94 -1.35 -0.33 0.00 0.00 177.00 177.33 2nup h PRO 160 N 3.90 0.00 0.08 5.54 0.11 -1.96 -1.45 132.00 138.21 2nup h PRO 160 Ca -0.48 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2nup h PRO 160 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 2nup h PRO 160 CO 0.70 0.00 -0.96 1.15 -0.21 0.00 0.00 178.00 178.68 2nup h THR 161 N 0.00 1.37 -2.05 -1.15 2.02 -1.96 -2.71 112.91 108.43 2nup h THR 161 Ca 0.32 -2.34 -0.62 0.00 0.77 0.00 0.00 66.41 64.54 2nup h THR 161 Cb 1.32 2.74 0.14 0.00 -1.74 0.00 0.00 68.15 70.61 2nup h THR 161 CO -0.00 0.70 -0.40 0.00 0.37 0.00 0.00 175.52 176.18 2nup n ALA 162 N -2.65 -1.71 -2.82 6.16 0.00 -0.55 -4.46 120.51 114.49 2nup n ALA 162 Ca -0.13 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 2nup n ALA 162 Cb 0.85 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2nup n ALA 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nup s LEU 163 N 2.06 4.32 0.07 0.00 1.43 0.29 -0.01 118.68 126.84 2nup s LEU 163 Ca 0.62 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2nup s LEU 163 Cb -0.68 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2nup s LEU 163 CO 0.59 0.11 -0.12 0.68 0.23 0.00 0.00 176.35 177.84 2nup s VAL 164 N -1.59 0.93 0.02 -1.59 -7.23 -0.56 -0.89 120.40 109.50 2nup s VAL 164 Ca 0.38 -1.33 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 2nup s VAL 164 Cb -0.13 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 2nup s VAL 164 CO 0.27 -0.34 0.07 -0.83 -0.31 0.00 0.00 175.10 173.96 2nup s GLY 165 N -1.87 0.15 -0.06 2.32 0.00 -0.50 -2.06 107.32 105.30 2nup s GLY 165 Ca -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.31 2nup s GLY 165 CO 0.01 -0.53 -0.10 -2.27 0.00 0.00 0.00 173.10 170.22 2nup s LEU 166 N -1.66 1.53 -0.12 0.66 2.96 -1.26 -1.38 118.68 119.40 2nup s LEU 166 Ca -0.12 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2nup s LEU 166 Cb -0.06 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 45.95 2nup s LEU 166 CO -0.01 0.00 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.36 2nup s ILE 167 N 0.79 0.78 0.20 6.68 1.01 0.84 -1.56 121.20 129.95 2nup s ILE 167 Ca -0.13 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.30 2nup s ILE 167 Cb -0.15 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2nup s ILE 167 CO 0.02 0.19 0.11 0.42 0.00 0.00 0.00 174.94 175.68 2nup s THR 168 N 1.79 4.19 0.14 2.92 -4.23 -0.67 0.13 115.64 119.91 2nup s THR 168 Ca 0.03 -1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 59.00 2nup s THR 168 Cb -0.14 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.57 2nup s THR 168 CO -0.07 -0.21 0.50 0.72 -0.54 0.00 0.00 174.62 175.01 2nup s PHE 169 N -1.93 -0.35 0.00 3.99 -0.12 0.83 -0.10 117.98 120.30 2nup s PHE 169 Ca 0.31 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 2nup s PHE 169 Cb -0.09 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 2nup s PHE 169 CO 0.22 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 175.02 2nup n GLY 170 N -0.30 0.07 0.11 1.99 0.00 -1.26 -1.18 105.19 104.62 2nup n GLY 170 Ca -0.16 0.38 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 2nup n GLY 170 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2nup h ARG 171 N 0.00 0.16 -6.37 1.61 2.43 -1.85 0.11 114.38 110.47 2nup h ARG 171 Ca 0.00 -0.28 -0.44 0.00 -0.81 0.00 0.00 59.98 58.45 2nup h ARG 171 Cb 0.00 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2nup h ARG 171 CO 0.00 1.13 -0.29 -1.64 -1.51 0.00 0.00 179.97 177.66 2nup s MET 172 N -2.39 2.74 -0.10 0.20 -1.94 -1.26 -3.12 119.30 113.42 2nup s MET 172 Ca -0.20 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 52.47 2nup s MET 172 Cb 0.02 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 2nup s MET 172 CO 0.74 -0.26 -0.18 0.08 -0.01 0.00 0.00 175.02 175.39 2nup s VAL 173 N -2.39 2.66 -0.20 -6.03 1.01 0.12 -4.46 120.40 111.11 2nup s VAL 173 Ca 0.53 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2nup s VAL 173 Cb -0.08 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2nup s VAL 173 CO 0.32 0.55 -0.17 -1.10 0.00 0.00 0.00 175.10 174.70 2nup s GLN 174 N 0.12 2.90 -0.38 2.72 -0.21 0.86 -0.63 119.66 125.04 2nup s GLN 174 Ca -0.09 -0.90 -0.15 0.00 0.02 0.00 0.00 55.36 54.25 2nup s GLN 174 Cb -0.15 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.18 2nup s GLN 174 CO 0.05 -0.27 0.33 0.08 -2.12 0.00 0.00 175.29 173.36 2nup s VAL 175 N 1.28 5.21 -0.01 1.09 1.01 -0.58 -1.67 120.40 126.73 2nup s VAL 175 Ca 0.03 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2nup s VAL 175 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2nup s VAL 175 CO -0.11 -0.21 0.87 -1.00 0.00 0.00 0.00 175.10 174.65 2nup s HIS 176 N 1.86 3.65 -0.45 5.22 0.09 -0.60 -0.47 115.29 124.59 2nup s HIS 176 Ca 0.08 1.53 -0.19 0.00 -0.00 0.00 0.00 55.06 56.48 2nup s HIS 176 Cb -0.18 -2.99 0.03 0.00 -0.00 0.00 0.00 32.58 29.45 2nup s HIS 176 CO 0.11 0.06 0.58 -2.00 -0.00 0.00 0.00 174.74 173.49 2nup s GLU 177 N 0.80 3.19 0.45 1.40 2.12 -0.47 -4.54 118.70 121.64 2nup s GLU 177 Ca 0.46 -0.61 -0.25 0.00 0.36 0.00 0.00 54.97 54.93 2nup s GLU 177 Cb -0.20 -3.99 -0.09 0.00 0.26 0.00 0.00 34.13 30.11 2nup s GLU 177 CO 0.24 -1.02 1.42 1.28 -0.54 0.00 0.00 175.26 176.64 2nup n LEU 178 N 6.06 5.00 -3.93 2.70 4.77 -0.98 -4.18 117.00 126.43 2nup n LEU 178 Ca -0.04 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 2nup n LEU 178 Cb 0.47 -1.59 0.01 0.00 -2.33 0.00 0.00 43.42 39.98 2nup n LEU 178 CO 0.52 -0.20 -0.12 0.61 -1.33 0.00 0.00 177.39 176.87 2nup n GLY 179 N 0.60 -0.57 1.39 -0.72 0.00 -1.26 -4.81 105.19 99.82 2nup n GLY 179 Ca 0.05 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 2nup n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup n GLU 181 N -0.06 -1.94 0.00 0.00 0.28 -1.26 -4.24 120.64 113.42 2nup n GLU 181 Ca 0.21 1.39 0.00 0.00 -0.16 0.00 0.00 57.16 58.60 2nup n GLU 181 Cb 0.89 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 31.31 2nup n GLU 181 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nup n GLY 182 N -3.26 0.00 0.11 -1.84 0.00 -1.26 -2.87 105.19 96.07 2nup n GLY 182 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2nup n GLY 182 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2nup n ILE 183 N 0.00 0.45 -2.46 -0.61 0.13 -1.26 -5.12 119.36 110.50 2nup n ILE 183 Ca 0.00 -0.17 -0.04 0.00 -1.10 0.00 0.00 62.75 61.44 2nup n ILE 183 Cb 0.00 -0.87 -0.03 0.00 -0.84 0.00 0.00 39.64 37.90 2nup n ILE 183 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2nup n SER 184 N -2.80 -1.83 -4.45 9.51 3.41 -1.14 -5.06 113.62 111.26 2nup n SER 184 Ca -0.14 1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 59.41 2nup n SER 184 Cb 0.65 -4.68 -0.10 0.00 -0.26 0.00 0.00 64.21 59.81 2nup n SER 184 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2nup s LYS 185 N -0.86 1.63 0.06 4.33 -2.85 -1.26 -5.07 119.74 115.72 2nup s LYS 185 Ca -0.20 -1.76 -0.08 0.00 -1.00 0.00 0.00 55.97 52.93 2nup s LYS 185 Cb 0.01 -1.62 -0.00 0.00 -2.06 0.00 0.00 37.83 34.16 2nup s LYS 185 CO 0.68 0.27 0.17 -1.54 0.10 0.00 0.00 175.35 175.04 2nup s SER 186 N -3.48 0.11 -0.25 0.03 1.04 -1.26 -1.37 113.70 108.51 2nup s SER 186 Ca 0.29 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 2nup s SER 186 Cb -0.03 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 2nup s SER 186 CO 0.14 -0.64 0.15 -0.31 0.98 0.00 0.00 173.24 173.55 2nup s TYR 187 N -3.26 3.24 -0.04 5.02 1.51 0.38 -4.89 117.35 119.31 2nup s TYR 187 Ca 0.00 0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.98 2nup s TYR 187 Cb 0.02 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2nup s TYR 187 CO -0.08 -0.07 0.44 0.08 -1.11 0.00 0.00 175.55 174.82 2nup s VAL 188 N 1.31 5.06 -0.00 0.71 1.01 -1.26 -1.52 120.40 125.71 2nup s VAL 188 Ca 0.07 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2nup s VAL 188 Cb -0.14 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2nup s VAL 188 CO 0.06 0.48 -0.04 -0.36 0.00 0.00 0.00 175.10 175.24 2nup s PHE 189 N -0.43 0.38 0.18 5.22 0.40 0.19 -4.95 117.98 118.98 2nup s PHE 189 Ca 0.25 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.19 2nup s PHE 189 Cb -0.16 -0.24 -0.10 0.00 0.51 0.00 0.00 43.02 43.02 2nup s PHE 189 CO 0.12 -0.01 1.54 1.03 0.70 0.00 0.00 175.22 178.61 2nup s ARG 190 N -0.12 4.22 -0.17 0.44 0.52 -1.26 0.14 118.95 122.73 2nup s ARG 190 Ca 0.01 2.35 0.02 0.00 -0.52 0.00 0.00 55.73 57.59 2nup s ARG 190 Cb -0.02 -3.15 0.28 0.00 0.52 0.00 0.00 34.95 32.59 2nup s ARG 190 CO -0.00 -0.57 1.32 0.41 0.02 0.00 0.00 175.30 176.48 2nup n GLY 191 N 3.43 2.88 0.00 -3.53 0.00 -1.18 -3.71 105.19 103.07 2nup n GLY 191 Ca 0.12 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2nup n GLY 191 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nup n THR 192 N -0.10 0.00 -3.72 2.61 -1.04 -1.26 -4.70 114.28 106.06 2nup n THR 192 Ca 0.22 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 2nup n THR 192 Cb 0.93 0.91 -0.12 0.00 -1.82 0.00 0.00 70.33 70.23 2nup n THR 192 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2nup s LYS 193 N -2.52 0.33 0.72 -2.82 -2.85 -1.24 -4.64 119.74 106.72 2nup s LYS 193 Ca 0.05 0.65 -0.14 0.00 -1.00 0.00 0.00 55.97 55.53 2nup s LYS 193 Cb 0.12 -0.02 0.03 0.00 -2.06 0.00 0.00 37.83 35.90 2nup s LYS 193 CO 0.64 -0.14 1.13 0.34 0.10 0.00 0.00 175.35 177.42 2nup s ASP 194 N 1.15 4.56 -0.01 0.03 -1.08 -1.26 -4.92 116.67 115.15 2nup s ASP 194 Ca -0.08 2.07 0.02 0.00 -0.52 0.00 0.00 52.55 54.05 2nup s ASP 194 Cb -0.08 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2nup s ASP 194 CO -0.09 -2.00 -0.08 -0.76 0.52 0.00 0.00 175.17 172.75 2nup s LEU 195 N -5.30 1.98 0.00 -1.34 1.43 -1.26 -5.12 118.68 109.07 2nup s LEU 195 Ca 0.68 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2nup s LEU 195 Cb -0.22 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.57 2nup s LEU 195 CO 0.47 0.09 0.13 -1.54 0.23 0.00 0.00 176.35 175.73 2nup n SER 196 N 2.95 0.00 0.00 2.29 3.41 -1.26 -4.78 113.62 116.22 2nup n SER 196 Ca -0.14 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2nup n SER 196 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2nup n SER 196 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nup n ALA 197 N -2.14 0.00 0.02 7.33 0.00 -1.26 -4.51 120.51 119.95 2nup n ALA 197 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2nup n ALA 197 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2nup n ALA 197 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2nup h LYS 198 N 0.00 0.57 0.66 0.00 3.64 -1.93 0.16 116.57 119.66 2nup h LYS 198 Ca 0.00 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 2nup h LYS 198 Cb 0.00 0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2nup h LYS 198 CO 0.00 1.22 -0.32 1.96 -2.27 0.00 0.00 179.45 180.04 2nup h GLN 199 N 0.16 -0.86 -0.90 1.90 4.20 -1.95 -2.17 115.11 115.49 2nup h GLN 199 Ca -0.10 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.81 2nup h GLN 199 Cb 1.51 0.19 -0.09 0.00 0.30 0.00 0.00 27.48 29.39 2nup h GLN 199 CO 0.16 -0.56 0.51 1.25 -0.67 0.00 0.00 178.83 179.51 2nup h LEU 200 N -0.91 0.65 -0.98 1.46 5.85 -1.88 0.34 115.31 119.85 2nup h LEU 200 Ca -0.09 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2nup h LEU 200 Cb 0.69 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2nup h LEU 200 CO 0.15 0.28 0.42 -0.61 -0.34 0.00 0.00 178.44 178.34 2nup h GLN 201 N 0.72 1.14 -0.09 1.25 4.15 -0.44 -1.34 115.11 120.50 2nup h GLN 201 Ca 0.49 -0.14 -0.24 0.00 0.77 0.00 0.00 58.65 59.53 2nup h GLN 201 Cb 0.66 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 28.15 2nup h GLN 201 CO -0.35 0.85 -0.87 0.93 -1.93 0.00 0.00 178.83 177.47 2nup h GLU 202 N 1.14 0.75 -0.02 1.69 5.08 -0.47 -0.81 114.58 121.94 2nup h GLU 202 Ca 0.28 -0.69 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 2nup h GLU 202 Cb 0.06 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2nup h GLU 202 CO -0.04 1.28 -0.30 0.52 -1.00 0.00 0.00 179.01 179.47 2nup h MET 203 N 0.47 0.04 0.00 2.33 2.86 -0.77 -3.27 114.93 116.59 2nup h MET 203 Ca -0.08 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.34 2nup h MET 203 Cb 1.51 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.13 2nup h MET 203 CO 0.18 0.34 -2.15 1.28 1.06 0.00 0.00 176.91 177.61 2nup n LEU 204 N -4.17 0.07 0.00 1.22 4.77 -0.53 -5.09 117.00 113.27 2nup n LEU 204 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2nup n LEU 204 Cb 0.35 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2nup n LEU 204 CO 0.38 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2nup n GLY 205 N 1.52 0.60 1.40 -0.72 0.00 -0.31 -5.09 105.19 102.58 2nup n GLY 205 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2nup n GLY 205 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nup n PRO 223 N 0.00 -1.77 -1.64 1.61 -0.04 -1.26 -4.79 135.00 127.11 2nup n PRO 223 Ca 0.00 1.30 -0.44 0.00 -0.04 0.00 0.00 63.50 64.32 2nup n PRO 223 Cb 0.00 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.66 2nup n PRO 223 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2nup n PRO 224 N -0.43 1.74 -2.47 0.54 -0.04 -1.26 -5.02 135.00 128.06 2nup n PRO 224 Ca 0.00 0.61 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 2nup n PRO 224 Cb 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2nup n PRO 224 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2nup s PRO 225 N -1.56 3.48 0.00 0.54 0.04 -1.26 -5.10 135.00 131.14 2nup s PRO 225 Ca 0.58 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2nup s PRO 225 Cb -0.65 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2nup s PRO 225 CO 0.60 -0.33 0.00 -1.13 0.04 0.00 0.00 177.00 176.18 2nup n SER 226 N -2.39 0.00 -3.52 6.66 3.41 -1.26 -4.89 113.62 111.63 2nup n SER 226 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 2nup n SER 226 Cb 0.55 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.57 2nup n SER 226 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2nup n ASN 227 N 0.00 0.85 0.20 4.04 3.02 -0.75 -4.93 115.26 117.69 2nup n ASN 227 Ca 0.00 -1.70 0.09 0.00 -0.03 0.00 0.00 54.58 52.94 2nup n ASN 227 Cb 0.00 -0.36 0.28 0.00 -0.61 0.00 0.00 39.78 39.09 2nup n ASN 227 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2nup h ARG 228 N 0.00 0.00 -0.00 3.52 3.08 -1.97 -3.09 114.38 115.91 2nup h ARG 228 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2nup h ARG 228 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2nup h ARG 228 CO 0.21 0.24 -0.80 1.19 -1.07 0.00 0.00 179.97 179.74 2nup n PHE 229 N -3.24 0.00 -3.55 3.04 3.01 -1.26 -2.32 117.46 113.13 2nup n PHE 229 Ca 0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.18 2nup n PHE 229 Cb 0.54 -0.06 -0.13 0.00 -0.01 0.00 0.00 39.48 39.81 2nup n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2nup s LEU 230 N -2.93 1.23 0.11 4.37 1.43 -1.17 -3.90 118.68 117.83 2nup s LEU 230 Ca 0.10 -1.90 0.07 0.00 -1.03 0.00 0.00 54.13 51.38 2nup s LEU 230 Cb 0.17 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2nup s LEU 230 CO 0.78 -0.36 -0.08 -1.10 0.23 0.00 0.00 176.35 175.82 2nup s GLN 231 N 1.37 2.19 0.10 1.70 -0.21 -0.88 -1.81 119.66 122.12 2nup s GLN 231 Ca 0.14 -1.02 -0.35 0.00 0.02 0.00 0.00 55.36 54.15 2nup s GLN 231 Cb -0.20 -2.33 -0.15 0.00 1.00 0.00 0.00 33.01 31.33 2nup s GLN 231 CO -0.14 0.51 1.49 -2.30 -2.12 0.00 0.00 175.29 172.73 2nup n PRO 232 N 0.61 1.66 -0.18 2.91 -0.02 -1.26 -1.49 135.00 137.24 2nup n PRO 232 Ca -0.13 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.93 2nup n PRO 232 Cb 0.53 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 2nup n PRO 232 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nup h VAL 233 N 3.63 0.47 -0.31 -1.45 2.07 -0.45 -1.53 116.25 118.68 2nup h VAL 233 Ca -0.46 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2nup h VAL 233 Cb 1.29 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2nup h VAL 233 CO 0.84 0.00 0.29 0.06 0.02 0.00 0.00 177.57 178.79 2nup h GLN 234 N 0.00 0.00 0.00 1.57 3.07 -1.76 0.58 115.11 118.58 2nup h GLN 234 Ca 0.26 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.76 2nup h GLN 234 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.91 2nup h GLN 234 CO -0.55 0.00 -2.02 1.63 0.09 0.00 0.00 178.83 177.98 2nup n LYS 235 N -3.95 0.66 -0.00 0.06 5.02 -0.70 -4.55 118.16 114.70 2nup n LYS 235 Ca 0.05 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.45 2nup n LYS 235 Cb 0.45 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 2nup n LYS 235 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2nup n ILE 236 N -2.71 0.00 -0.14 -0.18 2.08 -0.66 -4.71 119.36 113.04 2nup n ILE 236 Ca -0.20 -0.16 0.20 0.00 0.56 0.00 0.00 62.75 63.14 2nup n ILE 236 Cb 0.96 0.84 0.60 0.00 -0.75 0.00 0.00 39.64 41.28 2nup n ILE 236 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2nup h ASP 237 N 0.00 0.21 0.29 4.38 3.04 -0.08 -1.41 116.42 122.85 2nup h ASP 237 Ca 0.00 0.02 -0.24 0.00 -3.24 0.00 0.00 57.03 53.56 2nup h ASP 237 Cb 0.46 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 38.73 2nup h ASP 237 CO 0.00 0.10 -1.01 0.24 -2.04 0.00 0.00 179.24 176.53 2nup h MET 238 N 0.22 0.46 -0.00 4.15 2.86 -1.84 -1.49 114.93 119.28 2nup h MET 238 Ca 0.37 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2nup h MET 238 Cb 1.13 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 2nup h MET 238 CO -0.08 1.17 -0.00 -0.91 1.06 0.00 0.00 176.91 178.15 2nup h ASN 239 N 0.25 0.01 -0.83 1.22 4.21 -1.70 -1.75 115.58 116.98 2nup h ASN 239 Ca -0.10 -0.39 -0.04 0.00 1.21 0.00 0.00 56.30 56.99 2nup h ASN 239 Cb 1.66 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.82 2nup h ASN 239 CO 0.18 0.39 0.38 0.25 -1.29 0.00 0.00 177.43 177.35 2nup h LEU 240 N -0.38 1.11 -0.72 1.61 6.46 -1.37 0.32 115.31 122.34 2nup h LEU 240 Ca 0.00 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 2nup h LEU 240 Cb 0.39 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2nup h LEU 240 CO 0.00 0.94 0.39 0.00 -0.62 0.00 0.00 178.44 179.16 2nup h THR 241 N 1.19 1.22 -0.14 1.05 1.03 -1.23 0.65 112.91 116.69 2nup h THR 241 Ca 0.28 -0.55 -0.06 0.00 -0.01 0.00 0.00 66.41 66.07 2nup h THR 241 Cb 0.14 0.27 -0.00 0.00 -1.07 0.00 0.00 68.15 67.49 2nup h THR 241 CO -0.03 0.24 -0.16 0.44 -0.01 0.00 0.00 175.52 176.00 2nup h ASP 242 N 0.99 0.38 -0.09 0.00 3.32 -0.57 -2.12 116.42 118.33 2nup h ASP 242 Ca 0.25 -0.50 0.02 0.00 0.02 0.00 0.00 57.03 56.83 2nup h ASP 242 Cb 0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2nup h ASP 242 CO -0.04 0.80 -0.03 0.25 -1.72 0.00 0.00 179.24 178.49 2nup h LEU 243 N -0.04 -0.12 -2.07 1.55 6.46 -0.19 0.10 115.31 121.01 2nup h LEU 243 Ca 0.02 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.91 2nup h LEU 243 Cb 0.70 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2nup h LEU 243 CO 0.04 -0.05 0.29 -0.07 -0.62 0.00 0.00 178.44 178.03 2nup h LEU 244 N -0.02 0.00 -0.54 2.25 3.38 -0.89 0.08 115.31 119.56 2nup h LEU 244 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2nup h LEU 244 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2nup h LEU 244 CO -0.10 0.00 -0.67 1.23 0.09 0.00 0.00 178.44 178.99 2nup h GLY 245 N 0.00 0.00 0.31 0.83 0.00 -0.12 -3.25 103.07 100.84 2nup h GLY 245 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2nup h GLY 245 CO -0.00 0.00 -0.59 1.18 0.00 0.00 0.00 176.54 177.13 2nup n GLU 246 N -3.60 0.33 -1.65 4.80 1.02 -0.06 -4.97 120.64 116.51 2nup n GLU 246 Ca -0.00 -0.23 -0.53 0.00 -0.02 0.00 0.00 57.16 56.37 2nup n GLU 246 Cb 0.69 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 2nup n GLU 246 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nup n LEU 247 N -1.13 2.27 -4.52 -4.62 4.77 -0.76 -4.98 117.00 108.03 2nup n LEU 247 Ca 0.07 1.08 -0.26 0.00 -0.03 0.00 0.00 56.01 56.87 2nup n LEU 247 Cb 0.35 -1.22 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 2nup n LEU 247 CO 0.34 -0.63 -0.44 0.00 -1.33 0.00 0.00 177.39 175.33 2nup s GLN 248 N 2.04 1.89 0.96 3.23 -2.07 -1.26 -5.00 119.66 119.45 2nup s GLN 248 Ca 0.90 -1.40 -0.14 0.00 -1.82 0.00 0.00 55.36 52.90 2nup s GLN 248 Cb -0.94 -2.04 -0.02 0.00 -1.09 0.00 0.00 33.01 28.93 2nup s GLN 248 CO 0.53 0.41 0.07 2.89 -1.32 0.00 0.00 175.29 177.88 2nup n ARG 249 N -0.02 -0.20 -1.67 9.60 1.85 -1.26 -4.74 116.66 120.21 2nup n ARG 249 Ca -0.10 -0.03 -0.51 0.00 -1.00 0.00 0.00 57.85 56.21 2nup n ARG 249 Cb 0.56 -1.62 -0.05 0.00 -1.05 0.00 0.00 32.46 30.30 2nup n ARG 249 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2nup n ASP 250 N 0.03 2.74 0.26 2.89 4.64 0.61 -4.83 116.55 122.89 2nup n ASP 250 Ca 0.04 1.05 0.18 0.00 -1.38 0.00 0.00 54.79 54.68 2nup n ASP 250 Cb 0.54 -1.29 0.93 0.00 -1.04 0.00 0.00 41.12 40.26 2nup n ASP 250 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2nup h PRO 251 N 6.99 0.00 -6.28 -0.67 0.13 -1.92 -3.43 132.00 126.82 2nup h PRO 251 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2nup h PRO 251 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2nup h PRO 251 CO 0.90 0.00 0.72 -1.58 -0.23 0.00 0.00 178.00 177.82 2nup s TRP 252 N -3.87 3.16 0.94 1.56 0.52 -1.26 -5.02 118.94 114.97 2nup s TRP 252 Ca -0.04 1.21 -0.10 0.00 0.02 0.00 0.00 56.10 57.19 2nup s TRP 252 Cb 0.10 -3.42 0.16 0.00 -1.15 0.00 0.00 33.47 29.16 2nup s TRP 252 CO 0.32 -1.30 1.14 -2.14 0.02 0.00 0.00 176.95 174.98 2nup s PRO 253 N 2.40 0.84 -0.30 4.98 0.02 -1.26 -4.98 135.00 136.70 2nup s PRO 253 Ca 0.55 1.49 0.01 0.00 0.02 0.00 0.00 61.00 63.08 2nup s PRO 253 Cb -0.24 -1.71 0.09 0.00 0.02 0.00 0.00 34.50 32.66 2nup s PRO 253 CO 0.20 -2.74 0.04 0.08 -0.33 0.00 0.00 177.00 174.26 2nup s VAL 254 N -2.63 1.58 1.00 3.83 1.01 -1.26 -4.93 120.40 119.01 2nup s VAL 254 Ca 0.67 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 2nup s VAL 254 Cb -0.23 -2.10 0.19 0.00 0.00 0.00 0.00 36.38 34.24 2nup s VAL 254 CO 0.59 -0.51 1.09 -2.16 0.00 0.00 0.00 175.10 174.11 2nup s PRO 255 N 1.28 0.33 0.22 2.72 0.04 -1.26 -4.89 135.00 133.44 2nup s PRO 255 Ca 0.07 1.16 -0.32 0.00 0.04 0.00 0.00 61.00 61.94 2nup s PRO 255 Cb -0.18 -1.68 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 2nup s PRO 255 CO -0.14 -2.97 1.49 1.04 0.04 0.00 0.00 177.00 176.46 2nup n GLN 256 N -4.43 2.15 -1.00 4.56 1.13 -1.26 -2.04 117.38 116.49 2nup n GLN 256 Ca 0.08 0.77 -0.00 0.00 -1.94 0.00 0.00 57.00 55.90 2nup n GLN 256 Cb 0.53 -2.48 -0.00 0.00 0.11 0.00 0.00 30.24 28.40 2nup n GLN 256 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nup n GLY 257 N 2.60 0.28 3.70 1.08 0.00 -1.26 -5.01 105.19 106.59 2nup n GLY 257 Ca 0.13 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2nup n GLY 257 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nup s LYS 258 N -0.90 2.51 0.23 1.61 -0.14 -0.87 -1.17 119.74 121.02 2nup s LYS 258 Ca 0.00 -1.24 0.03 0.00 -1.36 0.00 0.00 55.97 53.41 2nup s LYS 258 Cb 0.00 -2.33 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 2nup s LYS 258 CO 0.00 0.40 0.37 1.03 -0.76 0.00 0.00 175.35 176.39 2nup s ARG 259 N -3.55 3.45 0.88 1.68 0.52 0.12 -4.76 118.95 117.29 2nup s ARG 259 Ca 0.31 -0.64 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 2nup s ARG 259 Cb -0.08 -2.87 0.12 0.00 0.52 0.00 0.00 34.95 32.65 2nup s ARG 259 CO 0.21 0.41 1.12 -2.14 0.02 0.00 0.00 175.30 174.92 2nup s PRO 260 N -3.83 1.39 -0.58 3.54 0.02 -1.26 -4.85 135.00 129.43 2nup s PRO 260 Ca 0.35 0.42 -0.20 0.00 0.02 0.00 0.00 61.00 61.59 2nup s PRO 260 Cb -0.10 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.64 2nup s PRO 260 CO 0.30 -2.05 0.75 -0.51 -0.33 0.00 0.00 177.00 175.16 2nup s LEU 261 N -5.98 4.94 -0.31 -5.54 1.43 -1.26 -4.75 118.68 107.21 2nup s LEU 261 Ca 0.63 -1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2nup s LEU 261 Cb -0.15 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2nup s LEU 261 CO 0.54 -1.13 0.09 -0.60 0.23 0.00 0.00 176.35 175.48 2nup s ARG 262 N 3.06 2.94 -0.32 1.70 3.52 -1.25 -2.30 118.95 126.32 2nup s ARG 262 Ca 0.16 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 54.78 2nup s ARG 262 Cb -0.20 -3.39 0.10 0.00 -1.56 0.00 0.00 34.95 29.90 2nup s ARG 262 CO 0.10 -0.51 2.44 0.43 -0.81 0.00 0.00 175.30 176.95 2nup n SER 263 N 4.85 6.29 -0.33 -2.12 7.64 0.03 -1.90 113.62 128.07 2nup n SER 263 Ca -0.14 -3.02 0.24 0.00 1.01 0.00 0.00 58.87 56.96 2nup n SER 263 Cb 0.47 -1.16 0.52 0.00 -1.01 0.00 0.00 64.21 63.03 2nup n SER 263 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2nup h SER 264 N 2.14 0.43 -0.24 6.43 0.02 -1.85 -1.42 113.55 119.05 2nup h SER 264 Ca 0.30 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.25 2nup h SER 264 Cb 0.90 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 2nup h SER 264 CO 0.71 0.06 -0.19 1.23 -1.14 0.00 0.00 176.83 177.50 2nup h GLY 265 N 0.37 0.60 2.00 -3.77 0.00 -1.85 -2.41 103.07 98.01 2nup h GLY 265 Ca 0.62 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 2nup h GLY 265 CO -0.31 0.54 -0.72 -2.08 0.00 0.00 0.00 176.54 173.97 2nup h VAL 266 N 0.26 1.25 -0.17 4.60 2.07 -1.60 -2.24 116.25 120.41 2nup h VAL 266 Ca 0.04 -2.72 -0.00 0.00 0.82 0.00 0.00 66.70 64.84 2nup h VAL 266 Cb 0.73 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2nup h VAL 266 CO 0.05 0.70 0.10 0.00 0.02 0.00 0.00 177.57 178.44 2nup h ALA 267 N 1.28 0.22 -0.18 1.67 0.00 -1.28 0.10 119.26 121.07 2nup h ALA 267 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nup h ALA 267 Cb 1.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2nup h ALA 267 CO 0.09 -0.27 0.07 1.25 0.00 0.00 0.00 179.25 180.39 2nup h LEU 268 N 0.19 0.25 -1.12 0.00 6.46 -1.42 -1.59 115.31 118.09 2nup h LEU 268 Ca 0.06 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2nup h LEU 268 Cb 0.03 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 2nup h LEU 268 CO -0.01 0.36 0.59 0.77 -0.62 0.00 0.00 178.44 179.54 2nup h SER 269 N 0.13 1.02 -0.06 1.25 4.64 -1.19 0.04 113.55 119.38 2nup h SER 269 Ca 0.06 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 2nup h SER 269 Cb 0.19 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2nup h SER 269 CO -0.00 0.74 -0.25 0.40 -0.87 0.00 0.00 176.83 176.84 2nup h ILE 270 N 1.20 1.27 -0.17 0.95 2.04 -0.59 0.13 117.51 122.34 2nup h ILE 270 Ca 0.33 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2nup h ILE 270 Cb -0.13 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2nup h ILE 270 CO -0.07 0.40 0.05 0.00 0.00 0.00 0.00 178.15 178.53 2nup h ALA 271 N 1.30 0.22 -0.36 1.87 0.00 -0.24 0.11 119.26 122.17 2nup h ALA 271 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2nup h ALA 271 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2nup h ALA 271 CO 0.05 -0.16 0.18 0.28 0.00 0.00 0.00 179.25 179.61 2nup h VAL 272 N 0.10 1.15 -0.54 0.00 2.07 -0.79 -2.69 116.25 115.55 2nup h VAL 272 Ca 0.06 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2nup h VAL 272 Cb 0.22 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2nup h VAL 272 CO -0.00 0.16 0.33 1.23 0.02 0.00 0.00 177.57 179.30 2nup h GLY 273 N 0.44 0.79 0.20 2.17 0.00 -0.59 0.13 103.07 106.21 2nup h GLY 273 Ca 0.12 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.15 2nup h GLY 273 CO -0.02 0.32 -0.41 -2.00 0.00 0.00 0.00 176.54 174.43 2nup h LEU 274 N 0.73 -1.24 -0.73 3.11 5.85 -0.58 -1.63 115.31 120.81 2nup h LEU 274 Ca 0.19 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 2nup h LEU 274 Cb -0.01 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2nup h LEU 274 CO -0.04 -0.46 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.33 2nup h LEU 275 N -0.59 0.76 -2.80 2.25 3.38 -1.37 -2.28 115.31 114.66 2nup h LEU 275 Ca 0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2nup h LEU 275 Cb 0.65 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2nup h LEU 275 CO -0.29 0.95 -0.00 -0.08 0.09 0.00 0.00 178.44 179.11 2nup h GLU 276 N 0.66 0.00 -0.01 1.13 4.81 -0.13 0.67 114.58 121.71 2nup h GLU 276 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2nup h GLU 276 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2nup h GLU 276 CO 0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.27 2nup n THR 278 N 0.27 1.15 -3.32 0.00 -2.24 -0.58 -4.90 114.28 104.66 2nup n THR 278 Ca 0.05 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 2nup n THR 278 Cb 0.22 -1.88 -0.08 0.00 -2.10 0.00 0.00 70.33 66.49 2nup n THR 278 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2nup n PHE 279 N -3.92 0.14 -2.77 4.78 3.01 0.12 -5.08 117.46 113.74 2nup n PHE 279 Ca -0.24 -3.60 -0.38 0.00 1.01 0.00 0.00 57.45 54.24 2nup n PHE 279 Cb 0.58 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.77 2nup n PHE 279 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2nup s PRO 280 N -0.99 4.69 -0.37 -1.08 0.04 -1.22 -4.20 135.00 131.87 2nup s PRO 280 Ca 0.34 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2nup s PRO 280 Cb 0.12 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2nup s PRO 280 CO -0.13 0.38 0.31 0.09 0.04 0.00 0.00 177.00 177.69 2nup n ASN 281 N 0.95 -2.20 -3.57 6.66 3.02 -0.17 -5.07 115.26 114.88 2nup n ASN 281 Ca 0.00 -0.18 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 2nup n ASN 281 Cb 0.49 -1.89 -0.06 0.00 -0.61 0.00 0.00 39.78 37.71 2nup n ASN 281 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2nup s THR 282 N -3.11 0.00 -0.17 3.41 2.01 -1.26 -5.07 115.64 111.46 2nup s THR 282 Ca 0.03 0.00 -0.40 0.00 0.31 0.00 0.00 61.69 61.63 2nup s THR 282 Cb -0.01 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.33 2nup s THR 282 CO 0.22 0.00 1.57 0.61 -0.69 0.00 0.00 174.62 176.33 2nup n GLY 283 N 1.26 0.62 3.24 4.40 0.00 -1.26 -4.74 105.19 108.70 2nup n GLY 283 Ca -0.15 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 2nup n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup s ALA 284 N 2.37 -0.79 -0.24 4.61 0.00 -1.26 -3.17 121.76 123.28 2nup s ALA 284 Ca 0.94 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.24 2nup s ALA 284 Cb -1.08 0.06 0.07 0.00 0.00 0.00 0.00 23.12 22.17 2nup s ALA 284 CO 0.61 -0.26 0.00 0.50 0.00 0.00 0.00 175.76 176.61 2nup s ARG 285 N -1.29 1.15 -0.80 0.00 3.52 0.25 -2.41 118.95 119.37 2nup s ARG 285 Ca -0.13 -0.86 -0.20 0.00 -0.13 0.00 0.00 55.73 54.41 2nup s ARG 285 Cb -0.05 -2.37 0.11 0.00 -1.56 0.00 0.00 34.95 31.09 2nup s ARG 285 CO 0.04 -0.69 1.00 0.42 -0.81 0.00 0.00 175.30 175.26 2nup s ILE 286 N 1.56 4.68 -0.40 4.11 1.01 -0.32 -0.49 121.20 131.35 2nup s ILE 286 Ca -0.01 -1.20 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 2nup s ILE 286 Cb -0.18 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.61 2nup s ILE 286 CO -0.10 -1.41 0.49 -0.04 0.00 0.00 0.00 174.94 173.88 2nup s MET 287 N 2.93 3.29 -0.10 2.79 -1.94 -0.49 0.42 119.30 126.20 2nup s MET 287 Ca 0.26 -0.52 -0.05 0.00 -1.71 0.00 0.00 55.69 53.67 2nup s MET 287 Cb -0.11 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 32.78 2nup s MET 287 CO -0.02 -0.80 0.09 1.41 -0.01 0.00 0.00 175.02 175.69 2nup s MET 288 N 2.31 3.25 -0.19 2.03 1.75 -0.36 -1.17 119.30 126.92 2nup s MET 288 Ca 0.15 -0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 2nup s MET 288 Cb -0.16 -3.03 0.03 0.00 2.84 0.00 0.00 34.83 34.51 2nup s MET 288 CO 0.14 0.74 -0.18 -0.06 -0.65 0.00 0.00 175.02 175.01 2nup s PHE 289 N -1.00 2.81 -0.11 4.11 0.40 -0.46 0.50 117.98 124.23 2nup s PHE 289 Ca 0.15 -1.72 -0.01 0.00 -0.60 0.00 0.00 56.93 54.75 2nup s PHE 289 Cb -0.12 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2nup s PHE 289 CO 0.05 -0.81 -0.06 0.42 0.70 0.00 0.00 175.22 175.51 2nup s ILE 290 N 1.28 3.75 -1.10 0.64 1.09 0.94 -2.28 121.20 125.51 2nup s ILE 290 Ca 0.03 -0.44 0.11 0.00 -1.10 0.00 0.00 60.65 59.25 2nup s ILE 290 Cb -0.14 -2.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.70 2nup s ILE 290 CO -0.12 0.55 0.71 0.61 -0.10 0.00 0.00 174.94 176.60 2nup n GLY 291 N 2.83 -0.18 3.94 6.18 0.00 -1.26 -1.43 105.19 115.26 2nup n GLY 291 Ca -0.18 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.55 2nup n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nup s GLY 292 N -1.31 -0.18 0.82 -0.02 0.00 -1.26 -4.61 107.32 100.77 2nup s GLY 292 Ca 0.10 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.85 2nup s GLY 292 CO 0.24 4.96 1.10 2.56 0.00 0.00 0.00 173.10 181.97 2nup s PRO 293 N -2.06 1.88 -0.03 2.90 0.04 -1.22 -4.83 135.00 131.68 2nup s PRO 293 Ca 0.28 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 2nup s PRO 293 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2nup s PRO 293 CO -0.01 -1.75 1.08 0.00 0.04 0.00 0.00 177.00 176.35 2nup s ALA 294 N -3.17 3.35 -0.47 8.56 0.00 -1.25 -4.74 121.76 124.03 2nup s ALA 294 Ca 0.61 0.57 0.09 0.00 0.00 0.00 0.00 51.96 53.22 2nup s ALA 294 Cb -0.15 -3.43 0.23 0.00 0.00 0.00 0.00 23.12 19.78 2nup s ALA 294 CO 0.54 -0.50 1.18 0.25 0.00 0.00 0.00 175.76 177.24 2nup n THR 295 N 4.26 1.23 -3.28 0.00 -2.24 -0.80 -0.46 114.28 112.99 2nup n THR 295 Ca 0.08 -1.21 -0.08 0.00 -2.27 0.00 0.00 64.05 60.58 2nup n THR 295 Cb 0.48 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 2nup n THR 295 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2nup s GLN 296 N -1.37 0.71 1.19 -0.78 0.74 -1.21 -4.52 119.66 114.42 2nup s GLN 296 Ca 0.19 -0.50 -0.18 0.00 0.05 0.00 0.00 55.36 54.92 2nup s GLN 296 Cb 0.12 -0.30 0.24 0.00 1.10 0.00 0.00 33.01 34.18 2nup s GLN 296 CO 0.09 -1.18 0.52 0.41 -0.55 0.00 0.00 175.29 174.58 2nup n GLY 297 N 4.41 -2.92 3.70 2.59 0.00 -1.26 -4.62 105.19 107.09 2nup n GLY 297 Ca 0.10 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2nup n GLY 297 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nup n PRO 298 N -3.40 2.15 -0.30 1.61 -0.02 -1.26 -4.63 135.00 129.15 2nup n PRO 298 Ca 0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2nup n PRO 298 Cb 0.48 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2nup n PRO 298 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nup n GLY 299 N 0.78 0.77 3.56 -1.23 0.00 -1.26 -3.91 105.19 103.90 2nup n GLY 299 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2nup n GLY 299 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2nup n MET 300 N -2.18 0.94 -0.00 1.61 1.56 -1.26 -4.71 117.12 113.08 2nup n MET 300 Ca 0.00 0.35 -0.00 0.00 -0.27 0.00 0.00 57.70 57.78 2nup n MET 300 Cb 0.00 -1.94 -0.00 0.00 2.15 0.00 0.00 33.22 33.43 2nup n MET 300 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2nup n VAL 301 N -1.16 0.02 -3.82 1.12 0.31 0.40 -4.32 118.33 110.87 2nup n VAL 301 Ca 0.11 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.36 2nup n VAL 301 Cb 0.43 -0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 2nup n VAL 301 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2nup s VAL 302 N -2.01 0.00 0.51 2.52 0.11 -1.15 -4.71 120.40 115.68 2nup s VAL 302 Ca -0.00 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2nup s VAL 302 Cb 0.00 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2nup s VAL 302 CO 0.01 0.00 0.77 -0.83 -3.33 0.00 0.00 175.10 171.72 2nup s GLY 303 N -2.91 1.58 0.00 6.54 0.00 -1.26 -4.34 107.32 106.94 2nup s GLY 303 Ca 0.10 -0.88 0.10 0.00 0.00 0.00 0.00 44.72 44.05 2nup s GLY 303 CO 0.05 -0.67 1.28 2.09 0.00 0.00 0.00 173.10 175.86 2nup n ASP 304 N -2.30 0.00 -4.43 1.64 5.75 -1.26 -4.67 116.55 111.28 2nup n ASP 304 Ca 0.03 -1.36 -0.44 0.00 -0.01 0.00 0.00 54.79 53.01 2nup n ASP 304 Cb 0.57 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 2nup n ASP 304 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2nup s GLU 305 N -2.00 3.12 0.55 0.11 0.41 -1.26 0.14 118.70 119.78 2nup s GLU 305 Ca 0.16 -0.94 0.30 0.00 -0.41 0.00 0.00 54.97 54.08 2nup s GLU 305 Cb 0.07 -4.16 1.46 0.00 -1.78 0.00 0.00 34.13 29.73 2nup s GLU 305 CO 0.12 -1.41 1.91 -0.07 -0.49 0.00 0.00 175.26 175.32 2nup h LEU 306 N 10.10 0.00 -0.82 1.80 3.38 -1.41 -0.67 115.31 127.69 2nup h LEU 306 Ca -0.28 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.89 2nup h LEU 306 Cb 1.09 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2nup h LEU 306 CO 1.04 0.00 0.11 0.11 0.09 0.00 0.00 178.44 179.79 2nup h LYS 307 N 0.00 0.15 -5.62 1.13 1.57 -1.91 -3.37 116.57 108.51 2nup h LYS 307 Ca 0.33 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.51 2nup h LYS 307 Cb 1.44 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.62 2nup h LYS 307 CO -0.00 0.10 -0.05 0.99 -0.57 0.00 0.00 179.45 179.92 2nup s THR 308 N -6.03 5.12 0.52 -0.16 2.01 -0.26 -5.08 115.64 111.76 2nup s THR 308 Ca -0.13 0.99 -0.16 0.00 0.31 0.00 0.00 61.69 62.70 2nup s THR 308 Cb 0.24 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 2nup s THR 308 CO 0.76 0.21 0.99 -2.16 -0.69 0.00 0.00 174.62 173.73 2nup s PRO 309 N 1.36 3.93 0.64 4.92 0.04 -1.26 -4.86 135.00 139.77 2nup s PRO 309 Ca 0.25 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 2nup s PRO 309 Cb -0.15 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 2nup s PRO 309 CO 0.10 -0.29 1.26 0.42 0.04 0.00 0.00 177.00 178.54 2nup s ILE 310 N -2.65 2.21 0.56 0.56 1.01 -1.26 -4.91 121.20 116.72 2nup s ILE 310 Ca 0.59 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 2nup s ILE 310 Cb -0.10 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2nup s ILE 310 CO 0.32 -0.03 1.25 -2.11 0.00 0.00 0.00 174.94 174.37 2nup n ARG 311 N -1.91 1.45 -4.52 2.79 0.00 -1.26 -5.05 116.66 108.15 2nup n ARG 311 Ca 0.15 0.54 -0.25 0.00 -0.00 0.00 0.00 57.85 58.29 2nup n ARG 311 Cb 0.49 -2.45 -0.10 0.00 -0.00 0.00 0.00 32.46 30.39 2nup n ARG 311 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2nup s SER 312 N -1.01 3.63 0.32 2.89 1.04 -1.26 -4.79 113.70 114.52 2nup s SER 312 Ca 0.73 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2nup s SER 312 Cb -0.42 -0.33 0.59 0.00 0.10 0.00 0.00 66.02 65.96 2nup s SER 312 CO 0.48 -0.17 1.92 -0.50 0.98 0.00 0.00 173.24 175.95 2nup h TRP 313 N 2.09 0.98 -0.20 5.02 -0.00 -1.96 -0.52 115.95 121.35 2nup h TRP 313 Ca -0.41 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.51 2nup h TRP 313 Cb 1.25 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 30.07 2nup h TRP 313 CO 0.77 0.50 0.10 0.45 -0.00 0.00 0.00 178.44 180.26 2nup h HIS 314 N 0.95 0.19 -0.65 0.49 3.86 -1.96 -0.69 115.15 117.35 2nup h HIS 314 Ca 0.38 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.67 2nup h HIS 314 Cb 0.25 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 2nup h HIS 314 CO -0.00 0.11 0.33 -0.44 0.86 0.00 0.00 177.93 178.78 2nup h ASP 315 N 0.22 0.44 0.35 2.45 3.32 -1.47 -1.04 116.42 120.69 2nup h ASP 315 Ca 0.08 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2nup h ASP 315 Cb 0.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2nup h ASP 315 CO -0.06 0.27 -0.33 -0.29 -1.72 0.00 0.00 179.24 177.12 2nup h ILE 316 N 0.59 1.20 0.01 0.35 -0.00 -0.69 0.22 117.51 119.19 2nup h ILE 316 Ca 0.31 -1.13 -0.21 0.00 -0.00 0.00 0.00 64.86 63.83 2nup h ILE 316 Cb 0.28 1.61 -0.01 0.00 -0.00 0.00 0.00 36.82 38.70 2nup h ILE 316 CO -0.23 0.32 -0.91 -0.78 -0.00 0.00 0.00 178.15 176.55 2nup h ASP 317 N 0.00 0.33 -0.61 2.19 1.82 0.03 -3.16 116.42 117.02 2nup h ASP 317 Ca -0.00 -0.27 -0.23 0.00 -0.39 0.00 0.00 57.03 56.14 2nup h ASP 317 Cb 0.59 -0.10 -0.13 0.00 0.68 0.00 0.00 39.33 40.36 2nup h ASP 317 CO 0.04 1.08 0.29 0.29 -1.61 0.00 0.00 179.24 179.33 2nup n LYS 318 N -3.67 2.77 -4.20 0.28 5.02 -0.51 -4.91 118.16 112.94 2nup n LYS 318 Ca -0.05 -2.29 -0.30 0.00 -2.02 0.00 0.00 58.31 53.65 2nup n LYS 318 Cb 0.82 -1.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 2nup n LYS 318 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nup n ASP 319 N -0.23 0.26 -2.84 4.39 8.00 -1.03 -4.87 116.55 120.23 2nup n ASP 319 Ca 0.35 -1.20 -0.22 0.00 0.71 0.00 0.00 54.79 54.42 2nup n ASP 319 Cb 1.21 -2.03 -0.02 0.00 -0.02 0.00 0.00 41.12 40.26 2nup n ASP 319 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2nup n ASN 320 N -2.88 3.26 -2.80 -2.24 4.05 0.03 -4.88 115.26 109.80 2nup n ASN 320 Ca -0.31 -3.39 -0.07 0.00 0.45 0.00 0.00 54.58 51.25 2nup n ASN 320 Cb 0.69 -0.54 0.02 0.00 1.23 0.00 0.00 39.78 41.17 2nup n ASN 320 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2nup n ALA 321 N -0.16 -1.33 0.30 5.20 0.00 -1.26 -4.60 120.51 118.66 2nup n ALA 321 Ca 0.28 -1.35 0.04 0.00 0.00 0.00 0.00 53.44 52.41 2nup n ALA 321 Cb 0.58 -1.38 0.17 0.00 0.00 0.00 0.00 19.45 18.83 2nup n ALA 321 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2nup n LYS 322 N 2.38 0.05 -0.09 0.00 2.85 -1.26 -3.34 118.16 118.75 2nup n LYS 322 Ca 0.15 0.30 -0.10 0.00 -1.05 0.00 0.00 58.31 57.60 2nup n LYS 322 Cb 0.58 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.33 2nup n LYS 322 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2nup n TYR 323 N -1.39 0.00 -0.35 5.58 4.02 -1.26 -4.74 117.16 119.02 2nup n TYR 323 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.83 2nup n TYR 323 Cb 0.07 -0.89 -0.08 0.00 -0.02 0.00 0.00 39.34 38.42 2nup n TYR 323 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2nup n VAL 324 N -2.77 -0.56 0.16 -0.72 0.31 -1.21 0.13 118.33 113.67 2nup n VAL 324 Ca -0.32 2.00 -0.14 0.00 -0.01 0.00 0.00 64.34 65.87 2nup n VAL 324 Cb 1.06 -2.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 2nup n VAL 324 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2nup h LYS 325 N 0.00 -0.37 -0.75 5.55 1.57 -1.85 0.51 116.57 121.22 2nup h LYS 325 Ca 0.14 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2nup h LYS 325 Cb 0.34 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2nup h LYS 325 CO -0.78 -0.13 0.48 -0.22 -0.57 0.00 0.00 179.45 178.23 2nup h LYS 326 N -0.56 0.91 -0.31 3.15 3.64 -1.78 0.34 116.57 121.95 2nup h LYS 326 Ca -0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2nup h LYS 326 Cb 0.41 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2nup h LYS 326 CO 0.06 0.60 0.04 0.78 -2.27 0.00 0.00 179.45 178.67 2nup h GLY 327 N 0.94 0.57 0.90 5.01 0.00 -0.18 -2.41 103.07 107.88 2nup h GLY 327 Ca 0.30 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2nup h GLY 327 CO -0.11 0.36 -0.05 -0.84 0.00 0.00 0.00 176.54 175.90 2nup h THR 328 N 0.34 0.87 -0.85 4.70 2.02 0.65 -2.72 112.91 117.92 2nup h THR 328 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.42 2nup h THR 328 Cb 0.36 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.55 2nup h THR 328 CO 0.01 0.00 0.44 0.50 0.37 0.00 0.00 175.52 176.84 2nup h LYS 329 N -0.11 0.62 0.04 6.66 3.64 -0.27 0.07 116.57 127.22 2nup h LYS 329 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2nup h LYS 329 Cb 0.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2nup h LYS 329 CO -0.04 0.41 -0.02 1.25 -2.27 0.00 0.00 179.45 178.78 2nup h HIS 330 N 0.63 -0.05 0.00 1.91 2.76 -1.14 -0.80 115.15 118.47 2nup h HIS 330 Ca 0.46 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.61 2nup h HIS 330 Cb 0.63 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 2nup h HIS 330 CO -0.09 -0.03 -0.10 0.74 -1.30 0.00 0.00 177.93 177.15 2nup h PHE 331 N -0.05 0.00 -0.18 5.26 -1.00 -1.19 -2.45 116.94 117.33 2nup h PHE 331 Ca -0.01 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.58 2nup h PHE 331 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2nup h PHE 331 CO -0.08 0.10 -0.68 1.49 -1.61 0.00 0.00 178.31 177.53 2nup h GLU 332 N 0.00 0.72 -0.20 1.51 4.81 -0.46 0.13 114.58 121.09 2nup h GLU 332 Ca -0.00 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2nup h GLU 332 Cb 0.67 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2nup h GLU 332 CO 0.01 1.15 0.02 0.00 -0.73 0.00 0.00 179.01 179.47 2nup h ALA 333 N 0.71 0.26 -0.41 2.92 0.00 -0.93 -2.56 119.26 119.26 2nup h ALA 333 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2nup h ALA 333 Cb 1.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2nup h ALA 333 CO 0.14 -0.06 0.22 -0.07 0.00 0.00 0.00 179.25 179.48 2nup h LEU 334 N 0.11 0.33 -0.59 0.00 3.38 -1.39 0.14 115.31 117.29 2nup h LEU 334 Ca 0.06 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2nup h LEU 334 Cb 0.33 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2nup h LEU 334 CO 0.01 0.23 0.03 0.00 0.09 0.00 0.00 178.44 178.80 2nup h ALA 335 N 1.20 0.61 -0.12 1.53 0.00 -0.57 0.13 119.26 122.05 2nup h ALA 335 Ca 0.17 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 2nup h ALA 335 Cb 0.06 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2nup h ALA 335 CO -0.11 -0.37 -0.62 -0.91 0.00 0.00 0.00 179.25 177.24 2nup h ASN 336 N 0.15 0.48 -0.48 0.00 4.21 -1.01 0.15 115.58 119.08 2nup h ASN 336 Ca 0.31 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2nup h ASN 336 Cb 0.49 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2nup h ASN 336 CO -0.48 0.98 0.31 0.03 -1.29 0.00 0.00 177.43 176.98 2nup h ARG 337 N 0.31 0.63 -0.07 0.81 3.08 -0.01 0.38 114.38 119.51 2nup h ARG 337 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2nup h ARG 337 Cb 1.16 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2nup h ARG 337 CO 0.11 0.42 -0.10 0.00 -1.07 0.00 0.00 179.97 179.33 2nup h ALA 338 N 1.17 0.10 -0.13 0.04 0.00 -0.93 -2.25 119.26 117.26 2nup h ALA 338 Ca 0.17 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2nup h ALA 338 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2nup h ALA 338 CO -0.04 -0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.25 2nup h ALA 339 N 0.52 2.11 -0.01 0.00 0.00 -0.47 0.22 119.26 121.62 2nup h ALA 339 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nup h ALA 339 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2nup h ALA 339 CO 0.02 -0.15 -0.04 1.15 0.00 0.00 0.00 179.25 180.24 2nup h THR 340 N 0.01 1.49 0.00 0.00 2.02 -0.15 -3.08 112.91 113.19 2nup h THR 340 Ca 0.06 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 2nup h THR 340 Cb 0.23 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2nup h THR 340 CO -0.00 0.40 -0.06 0.74 0.37 0.00 0.00 175.52 176.96 2nup h THR 341 N -0.56 0.25 -0.02 3.16 2.02 -0.84 -3.47 112.91 113.45 2nup h THR 341 Ca -0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2nup h THR 341 Cb 0.67 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2nup h THR 341 CO 0.01 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.57 2nup n GLY 342 N -0.44 1.35 3.65 2.16 0.00 0.64 -1.00 105.19 111.54 2nup n GLY 342 Ca -0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2nup n GLY 342 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nup s HIS 343 N -2.02 2.95 -0.03 1.61 4.02 -0.41 -4.49 115.29 116.92 2nup s HIS 343 Ca 0.00 -0.02 -0.15 0.00 1.02 0.00 0.00 55.06 55.91 2nup s HIS 343 Cb 0.00 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.58 29.93 2nup s HIS 343 CO 0.00 0.44 0.40 0.08 1.02 0.00 0.00 174.74 176.69 2nup s VAL 344 N -1.17 5.08 -0.26 -0.90 1.01 -1.01 -4.16 120.40 118.99 2nup s VAL 344 Ca 0.22 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.99 2nup s VAL 344 Cb -0.11 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2nup s VAL 344 CO 0.13 0.53 -0.02 -0.63 0.00 0.00 0.00 175.10 175.11 2nup s ILE 345 N -0.70 3.16 0.06 2.22 1.01 -1.26 -1.17 121.20 124.51 2nup s ILE 345 Ca 0.23 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2nup s ILE 345 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2nup s ILE 345 CO 0.12 0.16 0.22 -1.81 0.00 0.00 0.00 174.94 173.64 2nup s ASP 346 N 1.37 6.37 -0.15 3.58 1.01 0.17 -3.82 116.67 125.19 2nup s ASP 346 Ca 0.01 0.31 -0.03 0.00 0.71 0.00 0.00 52.55 53.55 2nup s ASP 346 Cb -0.17 -1.98 0.05 0.00 1.01 0.00 0.00 42.92 41.84 2nup s ASP 346 CO -0.03 0.18 0.05 -0.63 0.21 0.00 0.00 175.17 174.95 2nup s ILE 347 N -1.49 0.20 -0.30 0.77 1.01 -0.85 -1.22 121.20 119.31 2nup s ILE 347 Ca 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2nup s ILE 347 Cb -0.13 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.68 2nup s ILE 347 CO 0.26 -0.13 0.04 -0.31 0.00 0.00 0.00 174.94 174.80 2nup s TYR 348 N 2.01 3.20 -0.21 3.97 1.51 0.18 -1.79 117.35 126.23 2nup s TYR 348 Ca 0.02 -1.51 0.01 0.00 -1.01 0.00 0.00 57.07 54.58 2nup s TYR 348 Cb -0.15 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2nup s TYR 348 CO -0.07 -0.72 -0.15 0.00 -1.11 0.00 0.00 175.55 173.49 2nup s ALA 349 N 1.36 2.47 -0.10 3.71 0.00 -0.67 -0.04 121.76 128.49 2nup s ALA 349 Ca -0.02 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2nup s ALA 349 Cb -0.19 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2nup s ALA 349 CO 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 175.76 175.12 2nup s ALA 351 N 1.86 -1.79 0.05 0.00 0.00 -0.87 -4.42 121.76 116.60 2nup s ALA 351 Ca 0.04 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 2nup s ALA 351 Cb -0.13 0.58 -0.32 0.00 0.00 0.00 0.00 23.12 23.25 2nup s ALA 351 CO -0.07 -1.05 1.06 -0.07 0.00 0.00 0.00 175.76 175.63 2nup h LEU 352 N 2.00 0.65 0.00 0.00 3.38 -1.87 -3.39 115.31 116.07 2nup h LEU 352 Ca -0.26 -0.70 -0.26 0.00 0.09 0.00 0.00 57.88 56.75 2nup h LEU 352 Cb 1.22 -0.21 0.06 0.00 0.09 0.00 0.00 40.66 41.82 2nup h LEU 352 CO 0.26 1.55 0.10 0.47 0.09 0.00 0.00 178.44 180.91 2nup n ASP 353 N -3.63 0.65 -4.79 -0.43 8.00 -1.26 -5.07 116.55 110.03 2nup n ASP 353 Ca -0.13 -1.59 -0.30 0.00 0.71 0.00 0.00 54.79 53.48 2nup n ASP 353 Cb 1.07 -0.41 0.10 0.00 -0.02 0.00 0.00 41.12 41.86 2nup n ASP 353 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2nup s GLN 354 N -4.08 1.98 -0.08 -1.24 -0.21 -1.26 -5.00 119.66 109.77 2nup s GLN 354 Ca 0.39 0.70 0.08 0.00 0.02 0.00 0.00 55.36 56.55 2nup s GLN 354 Cb -0.02 -1.90 -0.11 0.00 1.00 0.00 0.00 33.01 31.98 2nup s GLN 354 CO 0.26 -1.71 0.05 2.41 -2.12 0.00 0.00 175.29 174.18 2nup n THR 355 N -3.50 0.53 0.00 -0.19 -1.04 -1.26 -3.80 114.28 105.02 2nup n THR 355 Ca 0.07 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2nup n THR 355 Cb 0.56 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 2nup n THR 355 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2nup n GLY 356 N 2.41 1.87 0.25 3.41 0.00 -1.26 -3.39 105.19 108.49 2nup n GLY 356 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2nup n GLY 356 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nup h LEU 357 N 0.00 0.79 -1.33 0.99 3.38 -1.94 -2.31 115.31 114.88 2nup h LEU 357 Ca 0.00 -0.20 0.22 0.00 0.09 0.00 0.00 57.88 57.99 2nup h LEU 357 Cb 0.00 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.46 2nup h LEU 357 CO 0.00 0.78 0.63 0.25 0.09 0.00 0.00 178.44 180.18 2nup h LEU 358 N 0.77 0.52 0.00 1.67 5.85 -1.87 0.76 115.31 123.00 2nup h LEU 358 Ca 0.18 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.77 2nup h LEU 358 Cb 0.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2nup h LEU 358 CO -0.01 0.17 -1.09 -0.33 -0.34 0.00 0.00 178.44 176.84 2nup h GLU 359 N 0.50 0.00 -0.01 1.25 3.07 -1.85 -3.34 114.58 114.19 2nup h GLU 359 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2nup h GLU 359 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2nup h GLU 359 CO -0.27 0.72 -0.47 -1.33 -1.40 0.00 0.00 179.01 176.27 2nup n MET 360 N -3.21 1.18 -0.33 2.33 2.81 -0.38 -4.40 117.12 115.12 2nup n MET 360 Ca -0.04 -0.96 0.10 0.00 -1.81 0.00 0.00 57.70 54.99 2nup n MET 360 Cb 0.91 -1.48 0.22 0.00 -0.71 0.00 0.00 33.22 32.16 2nup n MET 360 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2nup h LYS 361 N 2.34 0.03 -0.95 0.03 2.10 0.33 -2.30 116.57 118.15 2nup h LYS 361 Ca 0.00 -0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 2nup h LYS 361 Cb 0.74 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.98 2nup h LYS 361 CO 0.00 0.02 0.60 0.00 -2.00 0.00 0.00 179.45 178.07 2nup h PRO 364 N -0.28 0.00 -0.26 0.00 0.13 -1.62 -3.09 132.00 126.87 2nup h PRO 364 Ca 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 2nup h PRO 364 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2nup h PRO 364 CO -0.46 0.20 -0.12 -0.91 -0.23 0.00 0.00 178.00 176.48 2nup h ASN 365 N 0.00 0.56 0.63 1.44 2.35 -0.58 -2.47 115.58 117.52 2nup h ASN 365 Ca -0.03 -0.41 -0.25 0.00 -0.55 0.00 0.00 56.30 55.07 2nup h ASN 365 Cb 1.21 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 2nup h ASN 365 CO 0.03 0.84 -1.12 -0.07 -1.65 0.00 0.00 177.43 175.46 2nup h LEU 366 N 0.28 0.36-10.53 1.61 3.38 -0.25 -3.35 115.31 106.81 2nup h LEU 366 Ca 0.06 -0.36 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 2nup h LEU 366 Cb 0.63 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 41.31 2nup h LEU 366 CO 0.04 1.24 -0.06 0.42 0.09 0.00 0.00 178.44 180.17 2nup s THR 367 N -2.83 2.61 -0.26 0.22 -4.23 -1.17 -3.26 115.64 106.72 2nup s THR 367 Ca -0.03 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 2nup s THR 367 Cb 0.08 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.31 2nup s THR 367 CO 0.87 0.00 1.28 0.61 -0.54 0.00 0.00 174.62 176.83 2nup n GLY 368 N -2.32 2.77 3.76 3.99 0.00 -1.23 -4.70 105.19 107.46 2nup n GLY 368 Ca 0.10 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2nup n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nup s GLY 369 N 0.08 2.73 0.57 -0.02 0.00 -0.93 -4.63 107.32 105.12 2nup s GLY 369 Ca 0.21 0.98 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 2nup s GLY 369 CO 0.04 1.38 0.98 -0.19 0.00 0.00 0.00 173.10 175.31 2nup s TYR 370 N -1.61 3.57 -0.23 1.90 4.12 -1.25 -4.49 117.35 119.36 2nup s TYR 370 Ca 0.74 1.27 -0.03 0.00 0.02 0.00 0.00 57.07 59.07 2nup s TYR 370 Cb -0.29 -2.68 0.08 0.00 -1.52 0.00 0.00 41.96 37.54 2nup s TYR 370 CO 0.33 -0.54 0.08 1.41 0.02 0.00 0.00 175.55 176.85 2nup s MET 371 N -4.80 0.43 -0.01 -0.62 1.75 -1.26 -2.01 119.30 112.78 2nup s MET 371 Ca 0.55 -0.50 0.02 0.00 -1.25 0.00 0.00 55.69 54.51 2nup s MET 371 Cb -0.11 -1.80 -0.03 0.00 2.84 0.00 0.00 34.83 35.73 2nup s MET 371 CO 0.46 -0.80 -0.03 0.08 -0.65 0.00 0.00 175.02 174.09 2nup s VAL 372 N 1.93 3.97 -0.06 10.11 1.01 -0.74 -5.03 120.40 131.59 2nup s VAL 372 Ca 0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 2nup s VAL 372 Cb -0.17 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2nup s VAL 372 CO -0.18 0.40 0.17 -0.32 0.00 0.00 0.00 175.10 175.17 2nup s MET 373 N -1.46 0.20 0.19 2.72 -2.45 -1.26 -1.66 119.30 115.57 2nup s MET 373 Ca 0.18 0.24 -0.22 0.00 -1.25 0.00 0.00 55.69 54.64 2nup s MET 373 Cb -0.11 0.09 0.08 0.00 1.25 0.00 0.00 34.83 36.13 2nup s MET 373 CO 0.09 -0.03 1.04 0.20 1.05 0.00 0.00 175.02 177.37 2nup s GLY 374 N 0.13 0.13 0.06 2.11 0.00 -0.90 -4.99 107.32 103.87 2nup s GLY 374 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.27 2nup s GLY 374 CO -0.00 2.68 1.11 -0.55 0.00 0.00 0.00 173.10 176.34 2nup h ASP 375 N 2.00 0.57 -4.27 1.64 3.32 -1.87 -2.52 116.42 115.29 2nup h ASP 375 Ca -0.28 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.09 2nup h ASP 375 Cb 1.22 -0.19 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 2nup h ASP 375 CO 0.37 1.46 -0.04 -0.55 -1.72 0.00 0.00 179.24 178.76 2nup s SER 376 N -7.29 -0.55 0.55 6.45 0.15 -1.26 -2.04 113.70 109.71 2nup s SER 376 Ca -0.06 0.93 0.31 0.00 0.70 0.00 0.00 55.95 57.83 2nup s SER 376 Cb 0.06 0.94 1.59 0.00 -1.71 0.00 0.00 66.02 66.90 2nup s SER 376 CO 0.90 -0.30 2.11 -0.26 1.20 0.00 0.00 173.24 176.89 2nup h PHE 377 N 4.66 0.00 -1.02 3.44 -1.00 -1.83 -3.23 116.94 117.97 2nup h PHE 377 Ca -0.28 0.00 -0.74 0.00 2.81 0.00 0.00 57.97 59.76 2nup h PHE 377 Cb 1.17 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.61 2nup h PHE 377 CO 0.41 0.08 2.43 -1.71 -1.61 0.00 0.00 178.31 177.91 2nup n ASN 378 N -3.47 6.00 -3.66 2.17 5.15 -1.26 -4.31 115.26 115.88 2nup n ASN 378 Ca -0.02 -3.04 -0.13 0.00 -0.60 0.00 0.00 54.58 50.80 2nup n ASN 378 Cb 0.22 -1.48 -0.06 0.00 -0.53 0.00 0.00 39.78 37.93 2nup n ASN 378 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2nup s THR 379 N 0.51 0.06 0.23 -0.44 -4.23 -1.22 -5.04 115.64 105.51 2nup s THR 379 Ca 0.47 -0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 2nup s THR 379 Cb 0.13 -0.97 0.21 0.00 1.34 0.00 0.00 72.50 73.21 2nup s THR 379 CO -0.04 -0.26 1.88 0.28 -0.54 0.00 0.00 174.62 175.95 2nup h SER 380 N 2.96 1.06 -0.06 3.99 0.02 -1.91 -2.06 113.55 117.55 2nup h SER 380 Ca -0.31 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2nup h SER 380 Cb 1.21 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 2nup h SER 380 CO 0.44 0.80 -0.42 0.25 -1.14 0.00 0.00 176.83 176.76 2nup h LEU 381 N 1.22 -1.33 0.47 5.07 5.85 -1.95 0.35 115.31 124.99 2nup h LEU 381 Ca 0.32 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 2nup h LEU 381 Cb -0.07 0.51 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2nup h LEU 381 CO -0.06 -0.39 -0.23 0.15 -0.34 0.00 0.00 178.44 177.57 2nup h PHE 382 N -0.49 -0.59 -0.72 1.25 3.57 -1.79 -0.64 116.94 117.53 2nup h PHE 382 Ca 0.02 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2nup h PHE 382 Cb 0.55 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 39.35 2nup h PHE 382 CO -0.53 -0.27 -0.05 0.87 -2.23 0.00 0.00 178.31 176.10 2nup h LYS 383 N -0.88 0.07 -0.25 1.11 1.57 -1.31 0.46 116.57 117.35 2nup h LYS 383 Ca -0.06 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2nup h LYS 383 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2nup h LYS 383 CO 0.11 0.05 -0.46 1.96 -0.57 0.00 0.00 179.45 180.53 2nup h GLN 384 N 0.07 0.75 -0.98 3.15 4.20 -0.31 -2.70 115.11 119.29 2nup h GLN 384 Ca 0.38 -0.47 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2nup h GLN 384 Cb 0.64 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 2nup h GLN 384 CO -0.67 1.10 0.63 1.15 -0.67 0.00 0.00 178.83 180.38 2nup h THR 385 N 0.49 1.26 -0.21 -0.54 2.02 0.07 -2.63 112.91 113.36 2nup h THR 385 Ca 0.01 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 2nup h THR 385 Cb 1.06 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2nup h THR 385 CO 0.10 0.25 -0.18 0.15 0.37 0.00 0.00 175.52 176.22 2nup h PHE 386 N 1.34 0.39 0.00 3.16 3.57 -0.01 -2.89 116.94 122.50 2nup h PHE 386 Ca 0.36 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2nup h PHE 386 Cb -0.13 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2nup h PHE 386 CO 0.00 0.53 -0.13 -0.56 -2.23 0.00 0.00 178.31 175.92 2nup h GLN 387 N 0.33 0.00 -0.60 1.11 3.07 -1.14 -3.18 115.11 114.69 2nup h GLN 387 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.74 2nup h GLN 387 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.04 2nup h GLN 387 CO 0.03 0.00 0.13 0.00 0.09 0.00 0.00 178.83 179.08 2nup h ARG 388 N 0.00 0.95 -1.14 0.06 2.47 -1.28 -1.93 114.38 113.52 2nup h ARG 388 Ca 0.00 -0.22 0.40 0.00 -1.26 0.00 0.00 59.98 58.91 2nup h ARG 388 Cb 0.93 -0.13 -0.15 0.00 -1.65 0.00 0.00 29.97 28.96 2nup h ARG 388 CO 0.00 0.86 0.68 0.28 0.56 0.00 0.00 179.97 182.35 2nup h VAL 389 N 0.91 0.12 -0.84 2.04 2.07 -1.57 0.42 116.25 119.40 2nup h VAL 389 Ca 0.19 -0.04 -0.52 0.00 0.82 0.00 0.00 66.70 67.16 2nup h VAL 389 Cb 0.35 -0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 29.84 2nup h VAL 389 CO 0.00 0.02 0.40 0.49 0.02 0.00 0.00 177.57 178.50 2nup n PHE 390 N -4.97 2.70 -2.44 1.57 3.01 -0.73 -4.82 117.46 111.77 2nup n PHE 390 Ca 0.36 -2.29 -0.41 0.00 1.01 0.00 0.00 57.45 56.12 2nup n PHE 390 Cb 1.28 -0.97 -0.04 0.00 -0.01 0.00 0.00 39.48 39.74 2nup n PHE 390 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2nup s THR 391 N -4.03 3.61 0.43 4.37 2.01 0.15 -4.92 115.64 117.26 2nup s THR 391 Ca 0.57 1.45 0.08 0.00 0.31 0.00 0.00 61.69 64.09 2nup s THR 391 Cb 0.47 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 2nup s THR 391 CO 0.03 0.28 0.41 -0.54 -0.69 0.00 0.00 174.62 174.11 2nup s LYS 392 N -0.71 2.53 0.31 4.92 1.02 -1.26 -2.57 119.74 123.97 2nup s LYS 392 Ca 0.49 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 54.96 2nup s LYS 392 Cb -0.32 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2nup s LYS 392 CO 0.38 -0.26 0.23 -0.40 -0.92 0.00 0.00 175.35 174.38 2nup n ASP 393 N -1.62 1.99 -0.39 2.83 5.68 -0.42 -4.84 116.55 119.77 2nup n ASP 393 Ca 0.04 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 2nup n ASP 393 Cb 0.62 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 2nup n ASP 393 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2nup n MET 394 N -1.22 0.00 0.00 0.11 2.81 -1.26 0.31 117.12 117.88 2nup n MET 394 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2nup n MET 394 Cb 0.35 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 2nup n MET 394 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2nup n HIS 395 N 0.21 0.00 -3.06 2.03 8.25 -1.26 -5.01 115.22 116.38 2nup n HIS 395 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2nup n HIS 395 Cb 0.00 0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.17 2nup n HIS 395 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nup n GLY 396 N 0.00 0.11 3.13 -1.41 0.00 0.15 -5.03 105.19 102.14 2nup n GLY 396 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2nup n GLY 396 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nup s GLN 397 N -5.58 0.88 0.28 1.61 -0.21 -1.26 -4.86 119.66 110.53 2nup s GLN 397 Ca 0.28 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.61 2nup s GLN 397 Cb -0.12 -0.87 -0.13 0.00 1.00 0.00 0.00 33.01 32.89 2nup s GLN 397 CO 0.40 0.21 1.35 1.19 -2.12 0.00 0.00 175.29 176.33 2nup n PHE 398 N 1.86 2.20 -1.89 0.91 0.99 -1.26 -1.30 117.46 118.96 2nup n PHE 398 Ca -0.18 0.49 -0.41 0.00 -0.00 0.00 0.00 57.45 57.34 2nup n PHE 398 Cb 0.55 -2.44 -0.01 0.00 -1.00 0.00 0.00 39.48 36.58 2nup n PHE 398 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2nup n LYS 399 N 1.39 3.64 -3.65 -1.08 5.02 -1.06 -4.67 118.16 117.74 2nup n LYS 399 Ca 0.09 -3.00 -0.15 0.00 -2.02 0.00 0.00 58.31 53.23 2nup n LYS 399 Cb 0.34 -2.93 -0.08 0.00 -0.02 0.00 0.00 35.03 32.33 2nup n LYS 399 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nup s MET 400 N 1.17 0.78 0.17 1.97 0.23 -1.26 -4.55 119.30 117.80 2nup s MET 400 Ca 0.51 0.33 0.08 0.00 -1.03 0.00 0.00 55.69 55.58 2nup s MET 400 Cb 0.14 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 2nup s MET 400 CO -0.05 -0.19 -0.17 0.20 -2.03 0.00 0.00 175.02 172.78 2nup s GLY 401 N -0.63 1.37 0.14 3.16 0.00 0.17 -3.81 107.32 107.71 2nup s GLY 401 Ca -0.07 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.22 2nup s GLY 401 CO 0.05 -1.57 -0.17 -1.36 0.00 0.00 0.00 173.10 170.05 2nup s PHE 402 N -2.23 1.66 -1.12 1.90 0.40 0.78 -1.61 117.98 117.76 2nup s PHE 402 Ca 0.16 -0.49 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 2nup s PHE 402 Cb -0.05 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.64 2nup s PHE 402 CO 0.06 0.24 0.74 0.41 0.70 0.00 0.00 175.22 177.37 2nup n GLY 403 N 0.54 -0.98 3.79 4.36 0.00 0.96 0.24 105.19 114.11 2nup n GLY 403 Ca -0.15 0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2nup n GLY 403 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nup s GLY 404 N -3.42 2.74 -0.25 -0.02 0.00 0.44 -4.29 107.32 102.52 2nup s GLY 404 Ca 0.43 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.28 2nup s GLY 404 CO 0.90 0.65 -0.07 -1.59 0.00 0.00 0.00 173.10 173.00 2nup s THR 405 N -0.95 2.78 -0.29 0.90 2.01 0.19 0.55 115.64 120.83 2nup s THR 405 Ca 0.32 -1.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 2nup s THR 405 Cb -0.20 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2nup s THR 405 CO 0.21 0.16 0.23 -0.22 -0.69 0.00 0.00 174.62 174.30 2nup s LEU 406 N 1.29 4.12 -0.05 4.42 2.96 0.64 -1.83 118.68 130.23 2nup s LEU 406 Ca -0.01 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2nup s LEU 406 Cb -0.17 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.36 2nup s LEU 406 CO -0.05 -0.11 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.06 2nup s GLU 407 N 1.80 1.51 -0.14 1.98 2.12 -0.60 0.14 118.70 125.51 2nup s GLU 407 Ca 0.08 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2nup s GLU 407 Cb -0.16 -1.29 -0.00 0.00 0.26 0.00 0.00 34.13 32.94 2nup s GLU 407 CO 0.11 0.06 -0.16 0.42 -0.54 0.00 0.00 175.26 175.14 2nup s ILE 408 N 0.53 2.63 -0.17 -3.70 1.01 -0.71 -1.02 121.20 119.78 2nup s ILE 408 Ca -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 2nup s ILE 408 Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2nup s ILE 408 CO 0.03 0.52 0.12 -0.54 0.00 0.00 0.00 174.94 175.07 2nup s LYS 409 N 0.69 3.88 0.34 2.79 -0.14 0.33 -4.91 119.74 122.71 2nup s LYS 409 Ca -0.08 -0.21 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 2nup s LYS 409 Cb -0.16 -3.30 -0.07 0.00 -1.68 0.00 0.00 37.83 32.63 2nup s LYS 409 CO 0.02 0.47 -0.03 0.95 -0.76 0.00 0.00 175.35 176.00 2nup s THR 410 N -0.14 1.79 0.74 2.17 -4.23 -1.26 0.69 115.64 115.40 2nup s THR 410 Ca 0.10 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 2nup s THR 410 Cb -0.11 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.06 2nup s THR 410 CO 0.00 -0.15 1.08 -0.44 -0.54 0.00 0.00 174.62 174.57 2nup s SER 411 N -3.56 4.93 0.65 3.99 0.01 -0.37 -4.87 113.70 114.48 2nup s SER 411 Ca 0.33 1.69 0.32 0.00 1.31 0.00 0.00 55.95 59.60 2nup s SER 411 Cb 0.06 -2.48 1.77 0.00 0.21 0.00 0.00 66.02 65.57 2nup s SER 411 CO 0.15 -1.74 2.03 0.08 0.41 0.00 0.00 173.24 174.17 2nup h ARG 412 N -0.93 0.00 0.00 12.44 0.11 -1.93 -0.88 114.38 123.20 2nup h ARG 412 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2nup h ARG 412 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2nup h ARG 412 CO 0.54 0.00 -0.16 0.39 0.10 0.00 0.00 179.97 180.85 2nup n GLU 413 N -3.15 0.22 -4.36 0.08 4.71 -1.26 -4.87 120.64 112.01 2nup n GLU 413 Ca -0.01 0.15 -0.34 0.00 -0.01 0.00 0.00 57.16 56.96 2nup n GLU 413 Cb 0.34 -1.73 -0.09 0.00 -1.01 0.00 0.00 31.44 28.95 2nup n GLU 413 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2nup s ILE 414 N -3.10 4.20 0.09 -3.67 -1.09 -0.34 -1.34 121.20 115.95 2nup s ILE 414 Ca 0.10 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 2nup s ILE 414 Cb 0.14 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2nup s ILE 414 CO 0.62 0.52 -0.13 -0.54 -1.23 0.00 0.00 174.94 174.18 2nup s LYS 415 N -1.14 0.85 -0.28 2.79 1.02 0.72 -4.63 119.74 119.07 2nup s LYS 415 Ca 0.16 -1.04 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 2nup s LYS 415 Cb -0.11 -0.74 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 2nup s LYS 415 CO 0.05 0.15 0.16 0.42 -0.92 0.00 0.00 175.35 175.21 2nup s ILE 416 N -1.71 4.93 0.07 2.17 1.01 0.33 0.20 121.20 128.19 2nup s ILE 416 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 2nup s ILE 416 Cb -0.07 -3.38 -0.29 0.00 0.01 0.00 0.00 42.46 38.73 2nup s ILE 416 CO 0.02 0.23 1.12 0.28 0.00 0.00 0.00 174.94 176.58 2nup h SER 417 N 8.34 0.62 0.00 3.58 0.02 -0.79 -1.80 113.55 123.51 2nup h SER 417 Ca -0.35 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2nup h SER 417 Cb 1.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2nup h SER 417 CO 0.57 1.47 0.00 0.61 -1.14 0.00 0.00 176.83 178.35 2nup n GLY 418 N 1.49 -2.55 3.17 -3.77 0.00 -1.14 -0.02 105.19 102.36 2nup n GLY 418 Ca -0.11 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 2nup n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup s ALA 419 N -1.79 1.12 -0.13 4.61 0.00 -0.72 -0.35 121.76 124.50 2nup s ALA 419 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2nup s ALA 419 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.12 2nup s ALA 419 CO 0.00 0.07 -0.02 0.42 0.00 0.00 0.00 175.76 176.23 2nup s ILE 420 N -1.74 0.73 -5.00 0.00 1.01 -0.51 -0.59 121.20 115.09 2nup s ILE 420 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2nup s ILE 420 Cb -0.07 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2nup s ILE 420 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2nup n GLY 421 N 5.02 -1.68 3.57 6.18 0.00 -1.26 -0.86 105.19 116.15 2nup n GLY 421 Ca -0.10 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2nup n GLY 421 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nup s PRO 422 N -1.79 2.67 0.03 1.61 0.04 -1.26 -4.84 135.00 131.47 2nup s PRO 422 Ca 0.00 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 2nup s PRO 422 Cb 0.00 -4.40 0.10 0.00 0.04 0.00 0.00 34.50 30.24 2nup s PRO 422 CO 0.00 -2.65 1.20 0.00 0.04 0.00 0.00 177.00 175.59 2nup s VAL 424 N -2.65 0.24 0.19 0.00 1.01 -0.22 -4.75 120.40 114.22 2nup s VAL 424 Ca 0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2nup s VAL 424 Cb 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 2nup s VAL 424 CO -0.02 -0.44 0.94 -0.55 0.00 0.00 0.00 175.10 175.03 2nup s SER 425 N -1.44 7.58 -0.27 3.32 0.15 -1.26 0.36 113.70 122.15 2nup s SER 425 Ca -0.13 1.88 0.10 0.00 0.70 0.00 0.00 55.95 58.49 2nup s SER 425 Cb -0.10 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.31 2nup s SER 425 CO -0.01 0.07 1.68 0.18 1.20 0.00 0.00 173.24 176.37 2nup n LEU 426 N 2.00 5.59 -2.02 3.45 4.77 -0.89 -4.81 117.00 125.09 2nup n LEU 426 Ca -0.00 -2.88 -0.02 0.00 -0.03 0.00 0.00 56.01 53.07 2nup n LEU 426 Cb 0.48 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2nup n LEU 426 CO 0.50 0.71 -0.01 -3.20 -1.33 0.00 0.00 177.39 174.06 2nup n ASN 427 N 0.10 -0.27 -4.28 -1.43 5.15 -1.26 -4.88 115.26 108.39 2nup n ASN 427 Ca 0.34 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.95 2nup n ASN 427 Cb 1.24 -0.09 -0.15 0.00 -0.53 0.00 0.00 39.78 40.25 2nup n ASN 427 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2nup s SER 428 N -1.29 3.74 0.14 1.20 1.04 -1.26 -5.05 113.70 112.22 2nup s SER 428 Ca 0.01 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 2nup s SER 428 Cb -0.00 -1.58 -0.06 0.00 0.10 0.00 0.00 66.02 64.47 2nup s SER 428 CO 0.05 0.08 0.47 -0.54 0.98 0.00 0.00 173.24 174.28 2nup s LYS 429 N 0.84 3.80 0.00 4.02 -0.14 -1.26 -3.12 119.74 123.88 2nup s LYS 429 Ca -0.04 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.80 2nup s LYS 429 Cb -0.15 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.12 2nup s LYS 429 CO -0.00 0.47 0.00 0.41 -0.76 0.00 0.00 175.35 175.47 2nup n GLY 430 N 0.53 1.03 0.23 -3.33 0.00 -1.26 -5.00 105.19 97.39 2nup n GLY 430 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.61 2nup n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nup h PRO 431 N 0.00 0.00 0.00 1.61 0.13 -2.01 0.17 132.00 131.91 2nup h PRO 431 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2nup h PRO 431 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2nup h PRO 431 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2nup s VAL 433 N -3.37 4.33 0.16 0.00 1.01 0.61 0.12 120.40 123.26 2nup s VAL 433 Ca 0.05 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 2nup s VAL 433 Cb 0.09 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2nup s VAL 433 CO 0.52 0.32 0.38 -0.55 0.00 0.00 0.00 175.10 175.77 2nup s SER 434 N -0.12 6.47 0.08 3.32 0.15 -0.68 -4.75 113.70 118.18 2nup s SER 434 Ca 0.47 0.55 -0.21 0.00 0.70 0.00 0.00 55.95 57.46 2nup s SER 434 Cb -0.25 -2.08 -0.11 0.00 -1.71 0.00 0.00 66.02 61.87 2nup s SER 434 CO 0.31 0.03 1.64 -0.33 1.20 0.00 0.00 173.24 176.08 2nup h GLU 435 N 2.64 0.19 -6.47 5.44 4.39 -1.96 -3.39 114.58 115.41 2nup h GLU 435 Ca -0.46 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 58.64 2nup h GLU 435 Cb 1.17 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 2nup h GLU 435 CO 0.72 0.27 1.10 1.21 -1.16 0.00 0.00 179.01 181.14 2nup s ASN 436 N -5.49 6.29 -0.00 1.42 3.04 -1.26 -5.00 114.94 113.95 2nup s ASN 436 Ca -0.14 0.95 -0.01 0.00 0.04 0.00 0.00 52.86 53.71 2nup s ASN 436 Cb 0.07 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.20 2nup s ASN 436 CO 0.69 -1.45 0.09 -1.83 -3.04 0.00 0.00 177.10 171.57 2nup s GLU 437 N 4.99 3.09 -0.03 0.43 -1.05 -1.26 -4.34 118.70 120.53 2nup s GLU 437 Ca 0.64 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 55.02 2nup s GLU 437 Cb -0.15 -2.88 -0.00 0.00 -0.44 0.00 0.00 34.13 30.66 2nup s GLU 437 CO 0.32 0.65 -0.14 0.42 0.95 0.00 0.00 175.26 177.46 2nup s ILE 438 N -1.21 1.19 0.00 1.83 1.01 0.97 -4.94 121.20 120.05 2nup s ILE 438 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2nup s ILE 438 Cb -0.12 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2nup s ILE 438 CO 0.15 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2nup n GLY 439 N 3.13 3.18 3.47 6.18 0.00 -1.26 -2.69 105.19 117.20 2nup n GLY 439 Ca -0.18 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2nup n GLY 439 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nup s THR 440 N 0.00 4.36 0.00 2.61 2.01 0.24 -4.82 115.64 120.04 2nup s THR 440 Ca 0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2nup s THR 440 Cb 0.00 -4.78 0.00 0.00 0.01 0.00 0.00 72.50 67.73 2nup s THR 440 CO 0.00 -1.56 0.00 0.61 -0.69 0.00 0.00 174.62 172.98 2nup n GLY 441 N 5.57 6.07 2.22 4.40 0.00 -1.20 -1.76 105.19 120.49 2nup n GLY 441 Ca 0.10 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 2nup n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nup n GLY 442 N 4.64 0.10 3.38 -0.02 0.00 -1.25 -4.97 105.19 107.06 2nup n GLY 442 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2nup n GLY 442 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nup s THR 443 N -2.63 0.03 -0.90 2.61 -1.32 -1.26 -4.30 115.64 107.88 2nup s THR 443 Ca 0.07 -0.27 0.07 0.00 -1.21 0.00 0.00 61.69 60.35 2nup s THR 443 Cb -0.03 -1.05 0.05 0.00 -1.51 0.00 0.00 72.50 69.96 2nup s THR 443 CO 0.08 -0.15 0.72 0.00 -2.21 0.00 0.00 174.62 173.06 2nup s GLN 445 N -0.65 0.49 0.06 0.00 -0.21 -1.25 -1.74 119.66 116.36 2nup s GLN 445 Ca 0.08 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.32 2nup s GLN 445 Cb 0.06 -0.49 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 2nup s GLN 445 CO 0.10 0.09 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.66 2nup s TRP 446 N 0.03 0.98 -0.09 0.91 0.51 0.12 -2.09 118.94 119.31 2nup s TRP 446 Ca 0.00 -0.47 -0.03 0.00 -2.12 0.00 0.00 56.10 53.48 2nup s TRP 446 Cb -0.04 -0.56 -0.03 0.00 -0.81 0.00 0.00 33.47 32.02 2nup s TRP 446 CO -0.00 -0.00 0.04 0.21 -0.51 0.00 0.00 176.95 176.68 2nup s LYS 447 N -1.64 3.09 -0.42 4.98 2.20 0.16 -0.26 119.74 127.84 2nup s LYS 447 Ca -0.05 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2nup s LYS 447 Cb -0.10 -2.89 0.14 0.00 -1.51 0.00 0.00 37.83 33.47 2nup s LYS 447 CO 0.01 0.72 0.24 0.42 -0.36 0.00 0.00 175.35 176.38 2nup s ILE 448 N -0.94 1.10 0.36 5.43 1.01 0.19 -1.06 121.20 127.30 2nup s ILE 448 Ca 0.14 -2.38 0.11 0.00 0.00 0.00 0.00 60.65 58.52 2nup s ILE 448 Cb -0.12 -1.78 0.34 0.00 0.01 0.00 0.00 42.46 40.92 2nup s ILE 448 CO 0.03 -0.93 1.82 0.00 0.00 0.00 0.00 174.94 175.86 2nup s GLY 450 N -3.76 0.35 0.06 0.00 0.00 -1.26 -0.03 107.32 102.68 2nup s GLY 450 Ca -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 2nup s GLY 450 CO 0.79 0.98 0.06 0.48 0.00 0.00 0.00 173.10 175.41 2nup s LEU 451 N 1.65 2.04 0.00 0.66 0.05 -0.63 -3.57 118.68 118.88 2nup s LEU 451 Ca -0.01 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.33 2nup s LEU 451 Cb -0.13 0.55 0.00 0.00 -2.05 0.00 0.00 46.19 44.56 2nup s LEU 451 CO -0.03 -0.65 0.00 -1.54 -0.55 0.00 0.00 176.35 173.58 2nup n SER 452 N 0.07 0.92 -0.09 1.48 3.41 -1.26 0.41 113.62 118.56 2nup n SER 452 Ca -0.15 -0.94 0.03 0.00 -0.26 0.00 0.00 58.87 57.56 2nup n SER 452 Cb 0.61 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.70 2nup n SER 452 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2nup n PRO 453 N 0.00 1.12 -0.02 4.33 -0.02 -1.25 -3.26 135.00 135.89 2nup n PRO 453 Ca 0.00 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2nup n PRO 453 Cb 0.00 -1.10 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 2nup n PRO 453 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2nup n THR 454 N -0.41 0.23 -1.61 3.45 -1.04 -1.26 -4.07 114.28 109.56 2nup n THR 454 Ca 0.05 -0.24 -0.54 0.00 -2.04 0.00 0.00 64.05 61.28 2nup n THR 454 Cb 0.06 -0.21 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 2nup n THR 454 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2nup n THR 455 N -2.00 0.07 -3.77 12.58 -1.04 -1.20 -4.34 114.28 114.57 2nup n THR 455 Ca -0.06 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 2nup n THR 455 Cb 0.45 -0.86 -0.17 0.00 -1.82 0.00 0.00 70.33 67.93 2nup n THR 455 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2nup s THR 456 N 1.16 0.43 0.14 12.58 2.01 0.22 -4.09 115.64 128.09 2nup s THR 456 Ca 0.88 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.88 2nup s THR 456 Cb -1.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2nup s THR 456 CO 0.52 0.17 0.26 -0.76 -0.69 0.00 0.00 174.62 174.12 2nup s LEU 457 N 1.94 4.27 -0.14 4.42 2.01 -0.42 -4.43 118.68 126.33 2nup s LEU 457 Ca 0.04 0.14 -0.05 0.00 0.01 0.00 0.00 54.13 54.27 2nup s LEU 457 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 46.19 43.19 2nup s LEU 457 CO -0.06 0.06 0.03 0.00 1.01 0.00 0.00 176.35 177.39 2nup s ALA 458 N -1.72 3.31 -0.18 4.21 0.00 -0.04 -0.64 121.76 126.69 2nup s ALA 458 Ca 0.34 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2nup s ALA 458 Cb -0.11 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.34 2nup s ALA 458 CO 0.28 0.36 -0.19 0.42 0.00 0.00 0.00 175.76 176.63 2nup s ILE 459 N -0.17 2.06 -0.30 0.00 -1.09 0.60 -1.43 121.20 120.87 2nup s ILE 459 Ca 0.06 -0.98 -0.13 0.00 -2.23 0.00 0.00 60.65 57.37 2nup s ILE 459 Cb -0.12 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.85 2nup s ILE 459 CO 0.02 0.51 0.29 -0.31 -1.23 0.00 0.00 174.94 174.21 2nup s TYR 460 N 1.28 3.23 0.49 3.97 1.51 0.53 -1.57 117.35 126.79 2nup s TYR 460 Ca 0.04 0.12 0.08 0.00 -1.01 0.00 0.00 57.07 56.30 2nup s TYR 460 Cb -0.13 -2.52 0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2nup s TYR 460 CO -0.13 -0.27 0.56 -0.06 -1.11 0.00 0.00 175.55 174.54 2nup s PHE 461 N 1.91 2.12 -0.13 2.71 0.40 -0.16 -0.22 117.98 124.61 2nup s PHE 461 Ca 0.10 -0.61 -0.19 0.00 -0.60 0.00 0.00 56.93 55.63 2nup s PHE 461 Cb -0.16 -2.18 0.05 0.00 0.51 0.00 0.00 43.02 41.23 2nup s PHE 461 CO 0.11 -0.58 0.49 -2.00 0.70 0.00 0.00 175.22 173.94 2nup s GLU 462 N -4.38 0.67 -0.23 0.44 2.12 0.13 -4.24 118.70 113.22 2nup s GLU 462 Ca 0.51 0.46 -0.10 0.00 0.36 0.00 0.00 54.97 56.20 2nup s GLU 462 Cb -0.05 0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 2nup s GLU 462 CO 0.31 -0.13 0.15 0.08 -0.54 0.00 0.00 175.26 175.13 2nup s VAL 463 N -0.26 5.33 -0.07 3.70 1.01 -1.26 -0.20 120.40 128.65 2nup s VAL 463 Ca -0.04 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2nup s VAL 463 Cb -0.03 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 33.02 2nup s VAL 463 CO 0.03 0.36 1.03 0.52 0.00 0.00 0.00 175.10 177.04 2nup n VAL 464 N 4.18 1.19 0.00 2.92 0.31 -0.45 -4.83 118.33 121.65 2nup n VAL 464 Ca -0.15 -1.38 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 2nup n VAL 464 Cb 0.52 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 2nup n VAL 464 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nup n GLY 474 N -0.84 0.00 0.00 2.92 0.00 -1.26 -4.85 105.19 101.15 2nup n GLY 474 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2nup n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nup n GLY 475 N 0.00 0.89 0.95 -0.02 0.00 -1.26 -4.90 105.19 100.84 2nup n GLY 475 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2nup n GLY 475 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nup n ARG 476 N 0.09 0.00 -3.77 1.61 5.12 -1.22 -4.75 116.66 113.74 2nup n ARG 476 Ca 0.00 0.34 -0.32 0.00 -1.93 0.00 0.00 57.85 55.94 2nup n ARG 476 Cb 0.00 -0.60 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 2nup n ARG 476 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2nup s GLY 477 N 0.00 2.23 0.01 -0.13 0.00 0.32 -4.85 107.32 104.90 2nup s GLY 477 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2nup s GLY 477 CO 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 173.10 172.43 2nup s ALA 478 N -1.49 1.06 -0.03 3.20 0.00 -1.26 -1.31 121.76 121.94 2nup s ALA 478 Ca 0.34 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2nup s ALA 478 Cb -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2nup s ALA 478 CO 0.22 0.23 -0.09 0.42 0.00 0.00 0.00 175.76 176.54 2nup s ILE 479 N -0.57 0.80 -0.16 0.00 1.01 -1.06 -1.24 121.20 119.98 2nup s ILE 479 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2nup s ILE 479 Cb -0.06 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.71 2nup s ILE 479 CO 0.00 0.25 -0.20 -1.58 0.00 0.00 0.00 174.94 173.41 2nup s GLN 480 N 0.18 3.02 -0.27 2.79 0.74 0.22 -1.87 119.66 124.47 2nup s GLN 480 Ca -0.03 -0.83 -0.11 0.00 0.05 0.00 0.00 55.36 54.44 2nup s GLN 480 Cb -0.08 -2.53 -0.05 0.00 1.10 0.00 0.00 33.01 31.45 2nup s GLN 480 CO 0.00 -0.13 0.18 -0.06 -0.55 0.00 0.00 175.29 174.73 2nup s PHE 481 N 1.10 3.25 -0.22 1.67 0.40 0.17 -0.51 117.98 123.83 2nup s PHE 481 Ca 0.00 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2nup s PHE 481 Cb -0.14 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.09 2nup s PHE 481 CO -0.08 -0.09 -0.14 0.08 0.70 0.00 0.00 175.22 175.69 2nup s VAL 482 N 1.51 2.23 -0.25 -0.44 1.01 -0.19 -1.27 120.40 123.01 2nup s VAL 482 Ca 0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2nup s VAL 482 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2nup s VAL 482 CO 0.09 0.27 -0.07 -0.89 0.00 0.00 0.00 175.10 174.49 2nup s THR 483 N 1.22 2.78 -0.17 3.92 2.01 0.62 -1.55 115.64 124.48 2nup s THR 483 Ca -0.01 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 60.81 2nup s THR 483 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2nup s THR 483 CO -0.09 0.17 0.07 -1.10 -0.69 0.00 0.00 174.62 172.99 2nup s GLN 484 N 1.30 3.83 0.09 4.92 -0.21 -0.76 0.39 119.66 129.21 2nup s GLN 484 Ca -0.01 -0.31 -0.25 0.00 0.02 0.00 0.00 55.36 54.81 2nup s GLN 484 Cb -0.17 -3.19 0.07 0.00 1.00 0.00 0.00 33.01 30.72 2nup s GLN 484 CO -0.05 0.39 0.61 1.52 -2.12 0.00 0.00 175.29 175.65 2nup s TYR 485 N 0.04 -0.56 -0.15 0.91 -0.85 -0.64 0.53 117.35 116.63 2nup s TYR 485 Ca 0.06 0.57 -0.24 0.00 -0.52 0.00 0.00 57.07 56.94 2nup s TYR 485 Cb -0.12 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2nup s TYR 485 CO 0.01 -0.76 0.78 -1.14 -1.52 0.00 0.00 175.55 172.92 2nup s GLN 486 N -2.88 4.32 0.74 -3.49 0.74 0.14 -1.67 119.66 117.56 2nup s GLN 486 Ca -0.03 0.94 -0.10 0.00 0.05 0.00 0.00 55.36 56.22 2nup s GLN 486 Cb -0.01 -3.55 0.05 0.00 1.10 0.00 0.00 33.01 30.61 2nup s GLN 486 CO -0.05 -0.23 1.10 -1.58 -0.55 0.00 0.00 175.29 173.98 2nup s HIS 487 N 1.80 3.07 0.32 1.67 5.65 -0.03 -0.16 115.29 127.61 2nup s HIS 487 Ca 0.37 0.75 0.06 0.00 0.25 0.00 0.00 55.06 56.49 2nup s HIS 487 Cb -0.17 -3.25 0.54 0.00 -1.18 0.00 0.00 32.58 28.52 2nup s HIS 487 CO 0.14 -1.45 1.77 0.77 -0.65 0.00 0.00 174.74 175.32 2nup h SER 488 N -0.77 0.31 0.30 9.88 0.02 -1.83 -1.27 113.55 120.18 2nup h SER 488 Ca -0.45 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 2nup h SER 488 Cb 1.30 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2nup h SER 488 CO 0.64 0.59 -0.22 0.77 -1.14 0.00 0.00 176.83 177.46 2nup h SER 489 N 0.28 0.00 0.00 3.07 4.64 -1.92 -3.46 113.55 116.15 2nup h SER 489 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2nup h SER 489 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2nup h SER 489 CO 0.05 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2nup n GLY 490 N -0.75 2.83 3.76 -0.77 0.00 -0.48 -5.03 105.19 104.74 2nup n GLY 490 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2nup n GLY 490 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nup s GLN 491 N -0.49 3.39 0.12 1.61 -0.21 -1.26 -4.51 119.66 118.31 2nup s GLN 491 Ca 0.00 2.35 -0.14 0.00 0.02 0.00 0.00 55.36 57.59 2nup s GLN 491 Cb 0.00 -2.45 -0.07 0.00 1.00 0.00 0.00 33.01 31.49 2nup s GLN 491 CO 0.00 -1.03 0.52 1.03 -2.12 0.00 0.00 175.29 173.69 2nup s ARG 492 N -2.69 3.95 0.03 2.91 0.52 -1.25 -0.85 118.95 121.57 2nup s ARG 492 Ca 0.66 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 2nup s ARG 492 Cb -0.43 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2nup s ARG 492 CO 0.53 0.52 -0.04 1.03 0.02 0.00 0.00 175.30 177.35 2nup s ARG 493 N -1.84 0.43 -0.23 3.54 0.52 -0.67 -2.16 118.95 118.54 2nup s ARG 493 Ca 0.36 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 2nup s ARG 493 Cb -0.15 0.02 0.06 0.00 0.52 0.00 0.00 34.95 35.40 2nup s ARG 493 CO 0.19 -0.04 -0.05 0.42 0.02 0.00 0.00 175.30 175.84 2nup s ILE 494 N -1.95 1.48 -0.04 1.52 1.01 -0.45 -1.62 121.20 121.15 2nup s ILE 494 Ca -0.10 -1.15 -0.20 0.00 0.00 0.00 0.00 60.65 59.20 2nup s ILE 494 Cb -0.06 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2nup s ILE 494 CO -0.02 -0.08 0.56 -0.60 0.00 0.00 0.00 174.94 174.80 2nup s ARG 495 N 1.42 4.30 -0.08 2.79 6.06 0.16 -0.84 118.95 132.76 2nup s ARG 495 Ca -0.05 0.65 0.00 0.00 -2.50 0.00 0.00 55.73 53.83 2nup s ARG 495 Cb -0.18 -3.37 0.02 0.00 0.06 0.00 0.00 34.95 31.48 2nup s ARG 495 CO -0.06 0.31 -0.06 0.08 -2.50 0.00 0.00 175.30 173.07 2nup s VAL 496 N 0.03 0.82 -0.09 7.11 1.01 0.10 -0.27 120.40 129.10 2nup s VAL 496 Ca 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2nup s VAL 496 Cb -0.17 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2nup s VAL 496 CO 0.15 0.32 -0.09 -0.89 0.00 0.00 0.00 175.10 174.59 2nup s THR 497 N 1.41 1.04 -0.25 3.92 2.01 -0.40 0.82 115.64 124.19 2nup s THR 497 Ca -0.02 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2nup s THR 497 Cb -0.13 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.42 2nup s THR 497 CO -0.04 0.36 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.28 2nup s THR 498 N 1.30 1.89 0.31 -0.82 2.01 -1.26 0.42 115.64 119.48 2nup s THR 498 Ca -0.03 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 60.55 2nup s THR 498 Cb -0.14 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2nup s THR 498 CO -0.04 -0.10 0.32 0.27 -0.69 0.00 0.00 174.62 174.39 2nup s ILE 499 N 1.22 4.06 -0.15 1.82 -5.25 -0.78 -4.69 121.20 117.43 2nup s ILE 499 Ca -0.06 -1.25 -0.06 0.00 -0.99 0.00 0.00 60.65 58.29 2nup s ILE 499 Cb -0.19 -3.36 0.07 0.00 2.95 0.00 0.00 42.46 41.92 2nup s ILE 499 CO -0.06 -0.23 0.33 0.00 -1.79 0.00 0.00 174.94 173.20 2nup s ALA 500 N -2.20 -0.82 0.07 2.27 0.00 -1.26 -2.57 121.76 117.25 2nup s ALA 500 Ca 0.39 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.64 2nup s ALA 500 Cb -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2nup s ALA 500 CO 0.28 -0.53 -0.16 1.03 0.00 0.00 0.00 175.76 176.38 2nup s ARG 501 N 2.09 2.03 0.25 0.00 1.81 -0.42 -4.89 118.95 119.82 2nup s ARG 501 Ca -0.03 -1.03 -0.30 0.00 -1.72 0.00 0.00 55.73 52.65 2nup s ARG 501 Cb -0.11 -2.21 -0.10 0.00 -0.45 0.00 0.00 34.95 32.09 2nup s ARG 501 CO -0.11 0.52 1.32 -0.80 -0.68 0.00 0.00 175.30 175.56 2nup s ASN 502 N -1.77 6.83 0.14 0.23 0.01 -1.24 0.12 114.94 119.26 2nup s ASN 502 Ca 0.17 2.53 -0.30 0.00 -0.71 0.00 0.00 52.86 54.55 2nup s ASN 502 Cb -0.11 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 2nup s ASN 502 CO 0.08 -0.54 1.02 0.26 -1.51 0.00 0.00 177.10 176.41 2nup s TRP 503 N -0.35 3.74 0.49 2.20 0.23 -1.26 -1.80 118.94 122.19 2nup s TRP 503 Ca 0.54 1.73 -0.23 0.00 -2.03 0.00 0.00 56.10 56.11 2nup s TRP 503 Cb -0.38 -3.14 -0.07 0.00 0.03 0.00 0.00 33.47 29.91 2nup s TRP 503 CO 0.44 -0.10 1.21 0.00 0.96 0.00 0.00 176.95 179.46 2nup n ALA 504 N 2.58 1.06 -2.64 0.98 0.00 0.43 -4.75 120.51 118.17 2nup n ALA 504 Ca 0.02 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2nup n ALA 504 Cb 0.48 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 2nup n ALA 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nup s ASP 505 N -0.80 6.79 0.39 0.00 1.01 -1.26 -4.49 116.67 118.31 2nup s ASP 505 Ca 0.67 0.98 0.25 0.00 0.71 0.00 0.00 52.55 55.16 2nup s ASP 505 Cb -0.47 -2.42 1.38 0.00 1.01 0.00 0.00 42.92 42.43 2nup s ASP 505 CO 0.53 -0.48 1.55 0.00 0.21 0.00 0.00 175.17 176.98 2nup n ALA 506 N 5.88 1.14 0.55 5.23 0.00 -1.26 0.79 120.51 132.84 2nup n ALA 506 Ca 0.04 0.95 0.07 0.00 0.00 0.00 0.00 53.44 54.49 2nup n ALA 506 Cb 0.48 -1.02 0.19 0.00 0.00 0.00 0.00 19.45 19.10 2nup n ALA 506 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nup n GLN 507 N -5.01 2.14 -0.85 0.00 6.02 -1.26 -3.87 117.38 114.55 2nup n GLN 507 Ca 0.38 -1.58 -0.01 0.00 -0.01 0.00 0.00 57.00 55.78 2nup n GLN 507 Cb 1.38 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 31.22 2nup n GLN 507 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2nup n THR 508 N 0.71 0.00 -0.38 5.09 -1.04 0.24 -5.06 114.28 113.84 2nup n THR 508 Ca 0.15 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 2nup n THR 508 Cb 0.41 0.44 -0.09 0.00 -1.82 0.00 0.00 70.33 69.28 2nup n THR 508 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2nup h GLN 509 N 0.19 -0.04 0.00 -2.82 4.20 -0.94 -2.68 115.11 113.02 2nup h GLN 509 Ca -0.22 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.31 2nup h GLN 509 Cb 1.38 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.14 2nup h GLN 509 CO -0.07 -0.03 -1.26 0.82 -0.67 0.00 0.00 178.83 177.62 2nup h ILE 510 N -0.05 0.79 -0.99 2.54 2.04 -1.94 -3.23 117.51 116.67 2nup h ILE 510 Ca 0.17 -2.36 0.02 0.00 1.00 0.00 0.00 64.86 63.68 2nup h ILE 510 Cb 0.45 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2nup h ILE 510 CO -0.90 0.45 0.66 1.56 0.00 0.00 0.00 178.15 179.91 2nup h GLN 511 N 0.00 1.28 -0.03 2.37 4.20 -1.95 0.28 115.11 121.26 2nup h GLN 511 Ca -0.14 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2nup h GLN 511 Cb 1.66 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2nup h GLN 511 CO 0.07 0.85 -0.06 -0.91 -0.67 0.00 0.00 178.83 178.10 2nup h ASN 512 N 1.32 0.10 -0.66 1.46 2.35 -1.61 -2.31 115.58 116.24 2nup h ASN 512 Ca 0.37 -0.59 0.10 0.00 -0.55 0.00 0.00 56.30 55.64 2nup h ASN 512 Cb -0.11 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.16 2nup h ASN 512 CO -0.09 0.67 0.27 0.40 -1.65 0.00 0.00 177.43 177.03 2nup h ILE 513 N -0.46 0.77 -0.47 2.81 2.04 -1.50 0.14 117.51 120.85 2nup h ILE 513 Ca -0.00 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2nup h ILE 513 Cb 0.66 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2nup h ILE 513 CO 0.01 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.39 2nup h ALA 514 N 1.44 1.37 -0.10 1.87 0.00 -0.45 -2.59 119.26 120.81 2nup h ALA 514 Ca 0.33 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2nup h ALA 514 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nup h ALA 514 CO -0.31 0.46 -0.55 0.00 0.00 0.00 0.00 179.25 178.85 2nup h ALA 515 N 1.48 0.89 -0.12 0.00 0.00 -0.23 -3.16 119.26 118.12 2nup h ALA 515 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2nup h ALA 515 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nup h ALA 515 CO -0.01 0.69 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 2nup n SER 516 N -3.92 0.69 -4.76 0.00 3.41 -0.02 -4.93 113.62 104.08 2nup n SER 516 Ca -0.02 -1.93 -0.41 0.00 -0.26 0.00 0.00 58.87 56.25 2nup n SER 516 Cb 0.58 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2nup n SER 516 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2nup s PHE 517 N -1.84 3.22 -0.69 7.33 5.36 -1.19 -1.78 117.98 128.40 2nup s PHE 517 Ca 0.12 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 2nup s PHE 517 Cb 0.06 -3.58 0.17 0.00 -0.34 0.00 0.00 43.02 39.33 2nup s PHE 517 CO 0.08 -1.60 0.50 0.34 -1.46 0.00 0.00 175.22 173.09 2nup s ASP 518 N -0.32 5.18 0.25 6.13 -1.08 -1.00 -4.97 116.67 120.85 2nup s ASP 518 Ca 0.50 -3.31 -0.04 0.00 -0.52 0.00 0.00 52.55 49.19 2nup s ASP 518 Cb -0.37 -1.79 0.50 0.00 -1.46 0.00 0.00 42.92 39.80 2nup s ASP 518 CO 0.46 -0.24 1.69 0.06 0.52 0.00 0.00 175.17 177.67 2nup h GLN 519 N 6.35 0.31 0.62 4.34 3.07 -1.87 0.19 115.11 128.12 2nup h GLN 519 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.74 2nup h GLN 519 Cb 0.87 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 28.36 2nup h GLN 519 CO 0.74 0.20 -0.30 0.93 0.09 0.00 0.00 178.83 180.50 2nup h GLU 520 N 0.32 -0.80 -0.88 0.06 5.08 -1.93 -0.09 114.58 116.34 2nup h GLU 520 Ca 0.43 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 59.05 2nup h GLU 520 Cb 0.74 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 30.06 2nup h GLU 520 CO -0.49 -0.49 0.39 0.00 -1.00 0.00 0.00 179.01 177.41 2nup h ALA 521 N -0.95 1.38 -0.41 3.43 0.00 -1.75 0.33 119.26 121.29 2nup h ALA 521 Ca -0.08 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2nup h ALA 521 Cb 0.68 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2nup h ALA 521 CO 0.14 -0.30 -0.21 0.00 0.00 0.00 0.00 179.25 178.88 2nup h ALA 522 N 1.68 0.58 -0.81 0.00 0.00 -0.58 -1.61 119.26 118.52 2nup h ALA 522 Ca 0.54 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2nup h ALA 522 Cb 0.97 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2nup h ALA 522 CO -0.50 0.55 0.51 0.00 0.00 0.00 0.00 179.25 179.81 2nup h ALA 523 N 0.82 1.07 -0.23 0.00 0.00 0.10 0.58 119.26 121.61 2nup h ALA 523 Ca 0.09 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2nup h ALA 523 Cb 0.78 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2nup h ALA 523 CO 0.06 0.31 -0.55 0.82 0.00 0.00 0.00 179.25 179.89 2nup h ILE 524 N 0.98 1.30 -0.21 0.00 5.03 -1.29 -1.16 117.51 122.16 2nup h ILE 524 Ca 0.33 -1.77 -0.12 0.00 -0.12 0.00 0.00 64.86 63.19 2nup h ILE 524 Cb 0.05 1.71 -0.01 0.00 -3.03 0.00 0.00 36.82 35.54 2nup h ILE 524 CO -0.13 0.56 -0.36 -0.07 -0.68 0.00 0.00 178.15 177.47 2nup h LEU 525 N 0.53 0.48 -0.59 1.44 3.38 -0.50 0.48 115.31 120.53 2nup h LEU 525 Ca 0.01 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 2nup h LEU 525 Cb 1.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2nup h LEU 525 CO 0.11 0.80 -0.70 0.24 0.09 0.00 0.00 178.44 178.99 2nup h MET 526 N 0.39 0.06 -0.04 1.13 2.86 0.24 -3.00 114.93 116.57 2nup h MET 526 Ca 0.04 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2nup h MET 526 Cb 0.81 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2nup h MET 526 CO 0.07 0.73 -0.71 0.00 1.06 0.00 0.00 176.91 178.06 2nup h ALA 527 N 1.26 0.72 -0.18 6.32 0.00 -0.78 -2.67 119.26 123.93 2nup h ALA 527 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2nup h ALA 527 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2nup h ALA 527 CO 0.09 0.80 0.10 -0.09 0.00 0.00 0.00 179.25 180.15 2nup h ARG 528 N 0.16 0.20 -0.78 0.00 9.65 -0.77 -1.21 114.38 121.62 2nup h ARG 528 Ca -0.02 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 2nup h ARG 528 Cb 1.26 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.76 2nup h ARG 528 CO 0.11 0.14 0.34 -0.07 2.80 0.00 0.00 179.97 183.29 2nup h LEU 529 N 0.21 1.04 0.14 3.80 3.38 -1.48 -1.15 115.31 121.26 2nup h LEU 529 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2nup h LEU 529 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2nup h LEU 529 CO -0.04 0.90 -0.07 0.00 0.09 0.00 0.00 178.44 179.33 2nup h ALA 530 N 1.25 -0.19 -0.38 1.53 0.00 -1.13 -1.89 119.26 118.45 2nup h ALA 530 Ca 0.26 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2nup h ALA 530 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2nup h ALA 530 CO -0.03 -0.49 -0.08 0.82 0.00 0.00 0.00 179.25 179.47 2nup h ILE 531 N -0.43 1.24 -0.43 0.00 2.04 -1.20 0.73 117.51 119.46 2nup h ILE 531 Ca -0.02 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 2nup h ILE 531 Cb 0.34 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2nup h ILE 531 CO 0.03 0.36 0.07 0.22 0.00 0.00 0.00 178.15 178.83 2nup h TYR 532 N 0.60 0.68 0.02 1.37 3.20 -1.17 0.40 116.97 122.08 2nup h TYR 532 Ca 0.11 -0.06 -0.25 0.00 3.14 0.00 0.00 58.73 61.67 2nup h TYR 532 Cb 0.50 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.59 2nup h TYR 532 CO 0.02 0.61 -1.02 0.00 -1.64 0.00 0.00 178.16 176.12 2nup h ARG 533 N 0.64 0.51 0.15 1.82 3.08 -0.70 -2.81 114.38 117.07 2nup h ARG 533 Ca 0.14 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2nup h ARG 533 Cb 0.30 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2nup h ARG 533 CO 0.00 1.21 -0.07 0.00 -1.07 0.00 0.00 179.97 180.04 2nup h ALA 534 N 0.59 -0.20 0.00 0.04 0.00 -0.29 0.27 119.26 119.66 2nup h ALA 534 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nup h ALA 534 Cb 1.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2nup h ALA 534 CO 0.19 -0.49 0.00 -1.91 0.00 0.00 0.00 179.25 177.03 2nup n GLU 535 N -5.07 0.09 -2.75 0.00 2.13 0.14 -2.03 120.64 113.15 2nup n GLU 535 Ca -0.09 0.24 -0.04 0.00 0.66 0.00 0.00 57.16 57.93 2nup n GLU 535 Cb 0.19 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.44 2nup n GLU 535 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2nup n THR 536 N -1.32 1.29 -0.62 6.31 -1.04 -0.77 -5.06 114.28 113.06 2nup n THR 536 Ca 0.03 -3.05 -0.21 0.00 -2.04 0.00 0.00 64.05 58.78 2nup n THR 536 Cb 0.07 1.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.59 2nup n THR 536 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2nup n GLU 537 N -0.48 0.00 -2.26 -2.82 0.28 0.87 -4.85 120.64 111.39 2nup n GLU 537 Ca 0.10 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.77 2nup n GLU 537 Cb 0.81 -0.58 -0.01 0.00 1.43 0.00 0.00 31.44 33.09 2nup n GLU 537 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2nup s ASP 541 N -0.58 6.21 -0.09 -1.84 -1.08 -1.26 -5.02 116.67 113.02 2nup s ASP 541 Ca 0.26 1.72 0.13 0.00 -0.52 0.00 0.00 52.55 54.14 2nup s ASP 541 Cb -0.16 -2.53 -0.24 0.00 -1.46 0.00 0.00 42.92 38.54 2nup s ASP 541 CO 0.45 -0.87 0.50 0.52 0.52 0.00 0.00 175.17 176.29 2nup n VAL 542 N -1.71 1.57 0.18 1.11 0.31 -1.26 -3.86 118.33 114.67 2nup n VAL 542 Ca 0.08 -0.80 0.02 0.00 -0.01 0.00 0.00 64.34 63.63 2nup n VAL 542 Cb 0.53 -0.95 0.36 0.00 -0.91 0.00 0.00 33.84 32.87 2nup n VAL 542 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2nup h LEU 543 N 0.00 0.04 -0.64 7.52 3.38 -1.98 -1.96 115.31 121.68 2nup h LEU 543 Ca -0.36 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2nup h LEU 543 Cb 2.07 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 2nup h LEU 543 CO 0.07 0.38 0.18 0.03 0.09 0.00 0.00 178.44 179.19 2nup h ARG 544 N 0.03 1.00 -0.05 1.13 -0.00 -2.00 -0.88 114.38 113.61 2nup h ARG 544 Ca 0.00 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.98 59.13 2nup h ARG 544 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 2nup h ARG 544 CO 0.05 0.89 -0.55 2.35 0.00 0.00 0.00 179.97 182.71 2nup h TRP 545 N 0.93 0.20 0.00 3.04 7.01 -1.58 -2.24 115.95 123.30 2nup h TRP 545 Ca 0.20 -0.07 -0.09 0.00 2.11 0.00 0.00 58.89 61.05 2nup h TRP 545 Cb 0.32 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2nup h TRP 545 CO 0.02 0.68 -0.42 1.25 -2.79 0.00 0.00 178.44 177.18 2nup h LEU 546 N 0.12 0.00 0.08 0.65 5.85 -0.93 -3.07 115.31 118.02 2nup h LEU 546 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 2nup h LEU 546 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2nup h LEU 546 CO 0.08 0.42 -0.92 0.44 -0.34 0.00 0.00 178.44 178.12 2nup h ASP 547 N 0.00 0.27 0.00 1.25 3.32 -0.95 -2.72 116.42 117.59 2nup h ASP 547 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2nup h ASP 547 Cb 0.83 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2nup h ASP 547 CO 0.05 1.41 0.01 0.03 -1.72 0.00 0.00 179.24 179.02 2nup h ARG 548 N -0.57 0.00 0.03 3.56 3.08 -1.46 0.38 114.38 119.41 2nup h ARG 548 Ca -0.20 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.53 2nup h ARG 548 Cb 1.50 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.51 2nup h ARG 548 CO 0.04 0.00 -1.86 1.04 -1.07 0.00 0.00 179.97 178.12 2nup n GLN 549 N -3.01 0.67 0.02 0.04 1.13 -1.16 -2.22 117.38 112.85 2nup n GLN 549 Ca -0.03 0.26 -0.13 0.00 -1.94 0.00 0.00 57.00 55.16 2nup n GLN 549 Cb 0.08 -1.74 -0.09 0.00 0.11 0.00 0.00 30.24 28.60 2nup n GLN 549 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2nup h LEU 550 N 0.02 -0.05 -0.77 1.08 5.85 -0.65 0.01 115.31 120.80 2nup h LEU 550 Ca -0.35 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.11 2nup h LEU 550 Cb 2.04 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.02 2nup h LEU 550 CO 0.07 0.30 0.46 0.40 -0.34 0.00 0.00 178.44 179.33 2nup h ILE 551 N -0.40 1.00 0.48 4.05 2.04 -0.48 0.99 117.51 125.19 2nup h ILE 551 Ca -0.01 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2nup h ILE 551 Cb 0.37 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2nup h ILE 551 CO 0.01 0.15 -0.23 0.03 0.00 0.00 0.00 178.15 178.11 2nup h ARG 552 N 0.83 -0.62 -0.88 2.37 3.08 -1.29 -1.40 114.38 116.47 2nup h ARG 552 Ca 0.34 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.57 2nup h ARG 552 Cb 0.18 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 2nup h ARG 552 CO -0.18 -0.38 0.48 1.25 -1.07 0.00 0.00 179.97 180.07 2nup h LEU 553 N -0.70 0.62 -1.03 3.04 5.85 -0.54 0.46 115.31 123.01 2nup h LEU 553 Ca -0.07 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2nup h LEU 553 Cb 0.52 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2nup h LEU 553 CO 0.11 0.28 0.65 0.00 -0.34 0.00 0.00 178.44 179.14 2nup h GLN 555 N 1.29 0.46 0.00 0.00 4.20 0.14 -1.07 115.11 120.12 2nup h GLN 555 Ca 0.38 -0.56 -0.19 0.00 0.06 0.00 0.00 58.65 58.34 2nup h GLN 555 Cb -0.06 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2nup h GLN 555 CO -0.10 1.21 -0.84 -0.22 -0.67 0.00 0.00 178.83 178.20 2nup h LYS 556 N 0.22 0.12 -0.00 1.46 3.64 -0.98 -3.37 116.57 117.67 2nup h LYS 556 Ca -0.12 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2nup h LYS 556 Cb 1.74 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2nup h LYS 556 CO 0.19 0.89 -0.01 1.19 -2.27 0.00 0.00 179.45 179.44 2nup n PHE 557 N -3.64 0.00 -1.97 1.91 3.01 -0.88 -5.05 117.46 110.84 2nup n PHE 557 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.15 2nup n PHE 557 Cb 0.79 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 40.41 2nup n PHE 557 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2nup s GLY 558 N -0.60 1.72 0.02 1.37 0.00 -0.40 -4.71 107.32 104.71 2nup s GLY 558 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.74 2nup s GLY 558 CO 0.01 -0.39 -0.19 -0.54 0.00 0.00 0.00 173.10 171.99 2nup s GLU 559 N -5.73 2.12 0.00 2.90 0.41 -0.64 -4.94 118.70 112.83 2nup s GLU 559 Ca 0.69 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2nup s GLU 559 Cb -0.06 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2nup s GLU 559 CO 0.51 0.55 0.00 2.48 -0.49 0.00 0.00 175.26 178.31 2nup n TYR 560 N 1.79 0.00 -4.79 1.61 -0.00 -1.26 -1.83 117.16 112.69 2nup n TYR 560 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.41 2nup n TYR 560 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.69 2nup n TYR 560 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2nup s HIS 561 N -2.00 2.60 0.69 -3.48 3.76 -1.26 -4.98 115.29 110.62 2nup s HIS 561 Ca 0.00 -1.26 -0.17 0.00 -0.15 0.00 0.00 55.06 53.48 2nup s HIS 561 Cb 0.00 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 2nup s HIS 561 CO 0.00 -0.56 0.06 1.63 -0.85 0.00 0.00 174.74 175.02 2nup n LYS 562 N 3.95 0.15 -1.33 1.40 5.02 -1.26 -1.18 118.16 124.91 2nup n LYS 562 Ca -0.20 0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 2nup n LYS 562 Cb 0.52 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 2nup n LYS 562 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nup n ASP 563 N 1.41 -2.29 -3.64 4.39 8.00 0.32 -4.87 116.55 119.88 2nup n ASP 563 Ca 0.07 0.22 -0.28 0.00 0.71 0.00 0.00 54.79 55.51 2nup n ASP 563 Cb 0.50 -2.30 -0.11 0.00 -0.02 0.00 0.00 41.12 39.19 2nup n ASP 563 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2nup s ASP 564 N -1.74 3.12 0.24 -2.24 2.15 -0.32 -5.00 116.67 112.88 2nup s ASP 564 Ca 0.00 -3.19 -0.13 0.00 0.43 0.00 0.00 52.55 49.66 2nup s ASP 564 Cb 0.00 -0.97 0.31 0.00 -0.30 0.00 0.00 42.92 41.96 2nup s ASP 564 CO 0.00 -0.17 1.59 -0.65 -0.17 0.00 0.00 175.17 175.77 2nup h PRO 565 N 5.87 -0.02 -0.95 4.34 0.11 -1.81 -1.23 132.00 138.30 2nup h PRO 565 Ca 0.15 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.52 2nup h PRO 565 Cb 0.86 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 2nup h PRO 565 CO 0.51 -0.01 0.66 0.77 -0.21 0.00 0.00 178.00 179.71 2nup h SER 566 N -0.02 0.15 0.49 -2.05 0.02 -1.95 -1.25 113.55 108.94 2nup h SER 566 Ca 0.37 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 2nup h SER 566 Cb 0.60 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2nup h SER 566 CO -0.84 0.05 -0.22 0.77 -1.14 0.00 0.00 176.83 175.44 2nup h SER 567 N 0.14 0.00 -2.57 3.07 4.64 -1.56 -3.45 113.55 113.83 2nup h SER 567 Ca 0.47 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.27 2nup h SER 567 Cb 1.62 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.76 2nup h SER 567 CO -0.08 0.22 1.07 0.33 -0.87 0.00 0.00 176.83 177.50 2nup n PHE 568 N -3.73 2.69 -4.17 4.77 7.35 -0.48 -4.22 117.46 119.69 2nup n PHE 568 Ca -0.01 -0.07 -0.11 0.00 -0.76 0.00 0.00 57.45 56.50 2nup n PHE 568 Cb 0.33 -2.71 -0.10 0.00 0.35 0.00 0.00 39.48 37.35 2nup n PHE 568 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2nup s ARG 569 N 2.03 1.07 0.01 -4.13 0.52 -0.76 -4.97 118.95 112.73 2nup s ARG 569 Ca 0.79 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2nup s ARG 569 Cb -0.49 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 2nup s ARG 569 CO 0.35 -0.33 -0.04 -0.06 0.02 0.00 0.00 175.30 175.24 2nup s PHE 570 N -4.10 0.35 0.94 -0.53 2.99 -1.26 -1.62 117.98 114.75 2nup s PHE 570 Ca 0.31 -0.21 -0.11 0.00 0.00 0.00 0.00 56.93 56.92 2nup s PHE 570 Cb 0.07 -0.22 0.13 0.00 0.00 0.00 0.00 43.02 43.00 2nup s PHE 570 CO 0.07 -0.05 0.97 0.43 -0.00 0.00 0.00 175.22 176.64 2nup n SER 571 N 2.48 -0.30 0.33 1.36 7.64 -1.26 -4.40 113.62 119.47 2nup n SER 571 Ca -0.16 0.37 0.21 0.00 1.01 0.00 0.00 58.87 60.29 2nup n SER 571 Cb 0.57 -1.41 1.13 0.00 -1.01 0.00 0.00 64.21 63.50 2nup n SER 571 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2nup h GLU 572 N -1.87 0.00 0.00 1.43 4.81 -2.00 0.42 114.58 117.37 2nup h GLU 572 Ca -0.44 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2nup h GLU 572 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2nup h GLU 572 CO 0.40 0.00 -0.20 1.15 -0.73 0.00 0.00 179.01 179.63 2nup h THR 573 N 0.00 0.50 0.00 0.32 2.02 -1.94 -3.35 112.91 110.45 2nup h THR 573 Ca -0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2nup h THR 573 Cb 0.02 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2nup h THR 573 CO 0.00 0.19 -0.62 0.49 0.37 0.00 0.00 175.52 175.95 2nup n PHE 574 N -3.37 0.00 -0.33 3.16 3.01 0.29 -4.29 117.46 115.93 2nup n PHE 574 Ca 0.00 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.77 2nup n PHE 574 Cb 0.41 0.00 0.56 0.00 -0.01 0.00 0.00 39.48 40.44 2nup n PHE 574 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2nup n SER 575 N -1.02 0.29 0.12 4.37 3.41 0.12 -0.97 113.62 119.95 2nup n SER 575 Ca 0.00 1.46 0.12 0.00 -0.26 0.00 0.00 58.87 60.19 2nup n SER 575 Cb 0.00 -0.71 0.19 0.00 -0.26 0.00 0.00 64.21 63.43 2nup n SER 575 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2nup h LEU 576 N 0.00 0.00 -0.94 1.04 3.38 -1.86 -3.36 115.31 113.58 2nup h LEU 576 Ca 0.79 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.86 2nup h LEU 576 Cb 2.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.85 2nup h LEU 576 CO -0.64 0.03 0.54 0.22 0.09 0.00 0.00 178.44 178.68 2nup h TYR 577 N 0.00 0.95 0.04 1.13 3.20 -1.38 -1.79 116.97 119.12 2nup h TYR 577 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2nup h TYR 577 Cb 0.87 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2nup h TYR 577 CO 0.00 0.24 -0.07 -1.35 -1.64 0.00 0.00 178.16 175.34 2nup h PRO 578 N 0.73 -0.13 0.03 1.82 0.11 -1.74 -1.50 132.00 131.32 2nup h PRO 578 Ca 0.52 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2nup h PRO 578 Cb 0.73 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 2nup h PRO 578 CO -0.36 -0.09 -0.03 0.37 -0.21 0.00 0.00 178.00 177.68 2nup h GLN 579 N -0.14 -0.07 -0.98 1.05 4.15 -1.61 0.21 115.11 117.73 2nup h GLN 579 Ca 0.02 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.61 2nup h GLN 579 Cb 0.15 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 2nup h GLN 579 CO -0.05 -0.04 0.61 0.74 -1.93 0.00 0.00 178.83 178.16 2nup h PHE 580 N -0.07 0.97 -0.11 3.99 0.05 -1.26 0.73 116.94 121.24 2nup h PHE 580 Ca 0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 2nup h PHE 580 Cb 0.07 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 2nup h PHE 580 CO -0.09 0.28 0.00 1.98 -0.18 0.00 0.00 178.31 180.30 2nup h MET 581 N 0.75 0.20 -0.43 1.51 4.05 -0.39 -0.10 114.93 120.52 2nup h MET 581 Ca 0.53 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.94 2nup h MET 581 Cb 0.84 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.54 2nup h MET 581 CO -0.30 0.45 -0.56 0.35 0.23 0.00 0.00 176.91 177.07 2nup h PHE 582 N -0.07 -1.72 -0.52 1.39 3.57 0.16 -0.62 116.94 119.13 2nup h PHE 582 Ca 0.03 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2nup h PHE 582 Cb 0.36 0.81 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 2nup h PHE 582 CO 0.03 -0.49 0.34 0.45 -2.23 0.00 0.00 178.31 176.41 2nup h HIS 583 N -0.39 0.64 -0.45 0.41 3.86 -1.08 -2.85 115.15 115.29 2nup h HIS 583 Ca 0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2nup h HIS 583 Cb 0.59 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 2nup h HIS 583 CO -0.74 0.40 0.29 1.25 0.86 0.00 0.00 177.93 179.98 2nup h LEU 584 N 0.69 0.53 0.00 2.43 5.85 -0.39 0.18 115.31 124.60 2nup h LEU 584 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2nup h LEU 584 Cb -0.06 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2nup h LEU 584 CO -0.05 0.40 -0.16 -2.11 -0.34 0.00 0.00 178.44 176.18 2nup n ARG 585 N -4.45 0.01 -0.00 1.25 1.85 -0.30 -3.26 116.66 111.75 2nup n ARG 585 Ca 0.04 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 56.95 2nup n ARG 585 Cb 0.07 -1.51 -0.07 0.00 -1.05 0.00 0.00 32.46 29.89 2nup n ARG 585 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2nup n ARG 586 N -1.53 2.38 -0.46 2.89 1.85 -0.88 -4.75 116.66 116.15 2nup n ARG 586 Ca 0.06 -0.03 -0.28 0.00 -1.00 0.00 0.00 57.85 56.60 2nup n ARG 586 Cb 0.34 -1.11 0.24 0.00 -1.05 0.00 0.00 32.46 30.88 2nup n ARG 586 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2nup n SER 587 N -1.46 -2.77 -0.49 2.89 3.41 0.59 -4.76 113.62 111.03 2nup n SER 587 Ca 0.01 -0.39 0.06 0.00 -0.26 0.00 0.00 58.87 58.29 2nup n SER 587 Cb 0.22 -1.04 0.20 0.00 -0.26 0.00 0.00 64.21 63.32 2nup n SER 587 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2nup n SER 588 N -3.92 1.42 0.11 4.04 2.88 -1.26 -2.61 113.62 114.27 2nup n SER 588 Ca 0.05 -1.91 0.06 0.00 -1.33 0.00 0.00 58.87 55.75 2nup n SER 588 Cb 0.55 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2nup n SER 588 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2nup h PHE 589 N 1.63 0.00 0.00 0.66 -1.00 -1.90 -3.40 116.94 112.94 2nup h PHE 589 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2nup h PHE 589 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 2nup h PHE 589 CO 0.16 0.27 -0.90 1.28 -1.61 0.00 0.00 178.31 177.51 2nup n LEU 590 N -2.91 0.00 -4.33 1.54 4.77 -1.23 -4.83 117.00 110.00 2nup n LEU 590 Ca -0.02 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.51 2nup n LEU 590 Cb 0.67 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2nup n LEU 590 CO 0.40 0.00 0.70 -1.10 -1.33 0.00 0.00 177.39 176.06 2nup s GLN 591 N -1.85 4.06 0.20 3.23 -1.52 -1.07 -4.91 119.66 117.80 2nup s GLN 591 Ca 0.00 -3.07 -0.06 0.00 -1.95 0.00 0.00 55.36 50.27 2nup s GLN 591 Cb 0.00 -4.52 0.14 0.00 -0.22 0.00 0.00 33.01 28.41 2nup s GLN 591 CO 0.00 -1.25 1.62 -0.39 -0.25 0.00 0.00 175.29 175.02 2nup h VAL 592 N 3.90 1.27 -4.10 1.09 -1.51 -1.87 -3.42 116.25 111.61 2nup h VAL 592 Ca 0.16 -1.29 -0.53 0.00 -1.23 0.00 0.00 66.70 63.82 2nup h VAL 592 Cb 0.91 1.08 0.20 0.00 -2.13 0.00 0.00 31.29 31.35 2nup h VAL 592 CO 0.96 0.44 0.10 0.49 -1.23 0.00 0.00 177.57 178.33 2nup n PHE 593 N -4.13 0.53 -1.01 5.19 3.01 -1.26 -2.49 117.46 117.29 2nup n PHE 593 Ca 0.01 0.37 -0.00 0.00 1.01 0.00 0.00 57.45 58.84 2nup n PHE 593 Cb 0.41 -1.98 -0.00 0.00 -0.01 0.00 0.00 39.48 37.90 2nup n PHE 593 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2nup n ASN 594 N -3.54 -3.14 -3.74 4.37 3.02 -1.26 -4.99 115.26 105.98 2nup n ASN 594 Ca 0.11 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 2nup n ASN 594 Cb 0.52 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 2nup n ASN 594 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2nup s ASN 595 N -2.32 -0.12 0.28 6.41 0.01 -1.04 -5.16 114.94 113.00 2nup s ASN 595 Ca 0.00 -0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 51.76 2nup s ASN 595 Cb 0.00 0.37 -0.08 0.00 0.41 0.00 0.00 41.25 41.95 2nup s ASN 595 CO 0.00 -0.66 0.70 -0.94 -1.51 0.00 0.00 177.10 174.69 2nup s SER 596 N -2.22 6.81 0.35 -1.22 1.04 -1.26 -4.67 113.70 112.52 2nup s SER 596 Ca -0.03 1.25 0.11 0.00 0.48 0.00 0.00 55.95 57.76 2nup s SER 596 Cb 0.00 -2.36 0.91 0.00 0.10 0.00 0.00 66.02 64.67 2nup s SER 596 CO -0.05 -0.13 1.78 -0.65 0.98 0.00 0.00 173.24 175.17 2nup h PRO 597 N 2.57 0.57 -0.62 4.02 0.11 -1.91 0.20 132.00 136.95 2nup h PRO 597 Ca -0.48 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2nup h PRO 597 Cb 1.18 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2nup h PRO 597 CO 0.66 0.38 0.14 -0.44 -0.21 0.00 0.00 178.00 178.52 2nup h ASP 598 N 0.59 0.92 0.24 -2.05 5.19 -1.94 0.11 116.42 119.48 2nup h ASP 598 Ca 0.58 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 56.66 2nup h ASP 598 Cb 1.15 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 2nup h ASP 598 CO -0.34 0.90 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.81 2nup h GLU 599 N 0.93 0.32 -0.17 3.56 5.08 -1.07 -1.59 114.58 121.63 2nup h GLU 599 Ca 0.20 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2nup h GLU 599 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2nup h GLU 599 CO 0.00 0.77 -0.34 0.77 -1.00 0.00 0.00 179.01 179.22 2nup h SER 600 N 0.25 0.59 0.24 1.42 0.02 -0.53 -1.81 113.55 113.73 2nup h SER 600 Ca 0.01 -0.55 -0.09 0.00 -0.84 0.00 0.00 61.79 60.31 2nup h SER 600 Cb 1.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2nup h SER 600 CO 0.09 1.03 -0.36 0.28 -1.14 0.00 0.00 176.83 176.73 2nup h SER 601 N 0.18 0.17 0.02 3.07 0.02 -0.75 -1.92 113.55 114.34 2nup h SER 601 Ca 0.01 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2nup h SER 601 Cb 0.93 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2nup h SER 601 CO 0.08 0.53 -0.01 0.22 -1.14 0.00 0.00 176.83 176.50 2nup h TYR 602 N 0.15 -0.03 0.24 3.45 3.20 -1.20 -1.43 116.97 121.35 2nup h TYR 602 Ca 0.02 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2nup h TYR 602 Cb 0.71 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2nup h TYR 602 CO 0.01 0.30 -0.19 1.88 -1.64 0.00 0.00 178.16 178.52 2nup h TYR 603 N -0.36 -0.50 -0.56 -3.82 0.99 -1.17 -2.82 116.97 108.73 2nup h TYR 603 Ca -0.00 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 2nup h TYR 603 Cb 0.34 0.19 -0.05 0.00 1.00 0.00 0.00 36.73 38.21 2nup h TYR 603 CO 0.04 -0.29 0.29 0.00 -0.00 0.00 0.00 178.16 178.20 2nup h ARG 604 N -0.44 0.55 -0.54 4.88 3.08 -1.40 -1.36 114.38 119.15 2nup h ARG 604 Ca -0.01 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.11 2nup h ARG 604 Cb 0.39 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.21 2nup h ARG 604 CO -0.02 0.36 -0.20 1.25 -1.07 0.00 0.00 179.97 180.30 2nup h HIS 605 N 0.56 -0.48 -0.20 3.04 2.76 -1.08 -1.01 115.15 118.75 2nup h HIS 605 Ca 0.25 0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 58.32 2nup h HIS 605 Cb 0.15 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2nup h HIS 605 CO -0.10 -0.29 -0.51 0.45 -1.30 0.00 0.00 177.93 176.19 2nup h HIS 606 N -0.07 0.67 0.00 5.26 3.86 -1.19 -3.15 115.15 120.53 2nup h HIS 606 Ca 0.25 -0.22 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2nup h HIS 606 Cb 0.46 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2nup h HIS 606 CO -0.50 0.94 -0.34 0.35 0.86 0.00 0.00 177.93 179.23 2nup h PHE 607 N 0.43 0.00 -0.10 2.45 3.57 -0.41 -2.38 116.94 120.49 2nup h PHE 607 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2nup h PHE 607 Cb 1.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2nup h PHE 607 CO 0.04 0.34 0.00 -1.33 -2.23 0.00 0.00 178.31 175.13 2nup n MET 608 N -4.09 1.29 -0.00 1.11 2.81 -0.46 -3.80 117.12 113.98 2nup n MET 608 Ca -0.02 -0.45 -0.00 0.00 -1.81 0.00 0.00 57.70 55.42 2nup n MET 608 Cb 0.39 -1.20 -0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2nup n MET 608 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2nup n ARG 609 N -0.22 2.13 -0.75 0.03 1.74 -0.93 -4.12 116.66 114.53 2nup n ARG 609 Ca 0.09 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.88 2nup n ARG 609 Cb 0.13 -1.02 0.21 0.00 -1.02 0.00 0.00 32.46 30.77 2nup n ARG 609 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nup s GLN 610 N -2.02 -0.13 0.80 5.56 -1.52 -0.97 -0.61 119.66 120.78 2nup s GLN 610 Ca -0.01 0.91 -0.04 0.00 -1.95 0.00 0.00 55.36 54.26 2nup s GLN 610 Cb 0.00 -1.64 0.16 0.00 -0.22 0.00 0.00 33.01 31.31 2nup s GLN 610 CO 0.02 -3.21 1.10 0.16 -0.25 0.00 0.00 175.29 173.11 2nup s ASP 611 N -2.80 3.89 0.00 5.90 3.84 -1.26 -4.51 116.67 121.73 2nup s ASP 611 Ca 0.67 -0.30 -0.01 0.00 -0.00 0.00 0.00 52.55 52.91 2nup s ASP 611 Cb -0.23 0.08 -0.00 0.00 -1.38 0.00 0.00 42.92 41.39 2nup s ASP 611 CO 0.61 -2.18 1.01 0.25 -0.00 0.00 0.00 175.17 174.86 2nup h LEU 612 N -0.87 -0.02 -0.18 2.11 6.46 -1.97 -1.91 115.31 118.92 2nup h LEU 612 Ca -0.37 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 2nup h LEU 612 Cb 1.25 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 2nup h LEU 612 CO 0.37 -0.01 -0.11 0.71 -0.62 0.00 0.00 178.44 178.78 2nup h THR 613 N -0.01 0.00 -0.94 1.05 1.35 -2.00 0.12 112.91 112.47 2nup h THR 613 Ca -0.00 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.13 2nup h THR 613 Cb 0.01 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.29 2nup h THR 613 CO -0.00 0.00 0.43 1.56 -0.25 0.00 0.00 175.52 177.25 2nup h GLN 614 N -0.00 0.32 -0.59 4.72 1.08 -1.96 0.11 115.11 118.79 2nup h GLN 614 Ca 0.03 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 2nup h GLN 614 Cb 0.08 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 2nup h GLN 614 CO -0.17 0.21 0.25 0.77 -0.95 0.00 0.00 178.83 178.94 2nup h SER 615 N 0.33 0.31 -0.34 1.46 0.02 0.06 -1.05 113.55 114.33 2nup h SER 615 Ca 0.63 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.63 2nup h SER 615 Cb 1.32 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 2nup h SER 615 CO -0.60 0.19 0.17 -0.07 -1.14 0.00 0.00 176.83 175.39 2nup h LEU 616 N 0.47 0.45 -1.50 5.07 3.38 0.01 -1.74 115.31 121.44 2nup h LEU 616 Ca 0.28 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2nup h LEU 616 Cb 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2nup h LEU 616 CO -0.25 0.45 0.44 0.40 0.09 0.00 0.00 178.44 179.56 2nup h ILE 617 N 0.42 0.96 0.42 1.22 2.04 -0.89 0.48 117.51 122.16 2nup h ILE 617 Ca 0.12 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2nup h ILE 617 Cb 0.12 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2nup h ILE 617 CO -0.02 0.11 -0.20 0.24 0.00 0.00 0.00 178.15 178.28 2nup h MET 618 N 0.58 -0.55 -0.79 2.37 2.86 -0.70 -2.30 114.93 116.40 2nup h MET 618 Ca 0.30 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 2nup h MET 618 Cb 0.40 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2nup h MET 618 CO -0.09 -0.24 0.43 0.82 1.06 0.00 0.00 176.91 178.89 2nup h ILE 619 N -0.90 1.23 -2.57 -1.22 2.04 -0.71 -3.36 117.51 112.01 2nup h ILE 619 Ca -0.06 -0.59 -0.59 0.00 1.00 0.00 0.00 64.86 64.62 2nup h ILE 619 Cb 0.56 0.16 -0.39 0.00 -0.74 0.00 0.00 36.82 36.42 2nup h ILE 619 CO 0.10 0.26 -0.88 -1.58 0.00 0.00 0.00 178.15 176.05 2nup s GLN 620 N -5.73 0.96 0.36 2.37 0.74 0.16 -4.47 119.66 114.05 2nup s GLN 620 Ca -0.12 -1.94 -0.25 0.00 0.05 0.00 0.00 55.36 53.11 2nup s GLN 620 Cb 0.17 -1.65 -0.14 0.00 1.10 0.00 0.00 33.01 32.49 2nup s GLN 620 CO 0.81 -1.30 0.65 -2.30 -0.55 0.00 0.00 175.29 172.60 2nup n PRO 621 N 3.25 0.66 -3.13 1.67 -0.02 -0.87 -4.42 135.00 132.15 2nup n PRO 621 Ca 0.21 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2nup n PRO 621 Cb 0.42 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 2nup n PRO 621 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nup s ILE 622 N -1.31 4.65 -0.04 4.25 1.01 -1.13 -4.89 121.20 123.74 2nup s ILE 622 Ca 0.62 1.04 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 2nup s ILE 622 Cb -0.68 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.15 2nup s ILE 622 CO 0.58 -0.08 0.03 -0.22 0.00 0.00 0.00 174.94 175.26 2nup s LEU 623 N -2.71 0.59 -0.01 2.97 2.96 -1.26 -1.35 118.68 119.86 2nup s LEU 623 Ca 0.51 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2nup s LEU 623 Cb -0.12 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 2nup s LEU 623 CO 0.18 -0.19 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.68 2nup s TYR 624 N 1.70 2.99 -0.07 5.38 1.51 0.31 -0.31 117.35 128.86 2nup s TYR 624 Ca -0.01 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 2nup s TYR 624 Cb -0.13 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2nup s TYR 624 CO -0.03 0.41 -0.05 0.00 -1.11 0.00 0.00 175.55 174.77 2nup s ALA 625 N -1.01 3.06 -0.15 3.71 0.00 0.21 -0.71 121.76 126.86 2nup s ALA 625 Ca 0.17 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2nup s ALA 625 Cb -0.11 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2nup s ALA 625 CO 0.08 0.58 -0.04 0.71 0.00 0.00 0.00 175.76 177.09 2nup s TYR 626 N -0.84 1.49 0.03 0.00 1.51 0.11 -1.71 117.35 117.94 2nup s TYR 626 Ca 0.13 -0.92 -0.16 0.00 -1.01 0.00 0.00 57.07 55.11 2nup s TYR 626 Cb -0.11 -1.22 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2nup s TYR 626 CO 0.02 -0.57 0.36 -1.54 -1.11 0.00 0.00 175.55 172.70 2nup s SER 627 N 1.70 -0.21 0.33 2.29 1.04 -1.26 -0.28 113.70 117.31 2nup s SER 627 Ca 0.01 -0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.51 2nup s SER 627 Cb -0.15 0.38 0.96 0.00 0.10 0.00 0.00 66.02 67.31 2nup s SER 627 CO -0.07 -0.61 1.70 -0.26 0.98 0.00 0.00 173.24 174.98 2nup h PHE 628 N 3.24 0.99 0.00 5.02 -1.00 -1.99 -3.21 116.94 119.99 2nup h PHE 628 Ca -0.31 0.04 -0.65 0.00 2.81 0.00 0.00 57.97 59.86 2nup h PHE 628 Cb 1.20 -0.28 0.05 0.00 3.61 0.00 0.00 35.95 40.53 2nup h PHE 628 CO 0.45 -0.02 2.34 -1.13 -1.61 0.00 0.00 178.31 178.33 2nup n SER 629 N -4.95 2.60 0.00 2.17 3.41 -1.26 -4.73 113.62 110.86 2nup n SER 629 Ca 0.29 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2nup n SER 629 Cb 0.83 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2nup n SER 629 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nup n GLY 630 N 4.50 2.32 3.41 5.00 0.00 -1.21 -5.07 105.19 114.14 2nup n GLY 630 Ca 0.50 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2nup n GLY 630 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nup s PRO 631 N -4.60 -1.75 0.10 1.61 0.04 -1.26 -4.20 135.00 124.95 2nup s PRO 631 Ca 0.00 0.58 -0.36 0.00 0.04 0.00 0.00 61.00 61.26 2nup s PRO 631 Cb 0.00 -1.48 -0.17 0.00 0.04 0.00 0.00 34.50 32.90 2nup s PRO 631 CO 0.00 -4.21 1.30 -2.30 0.04 0.00 0.00 177.00 171.83 2nup n PRO 632 N -5.22 1.15 -3.95 0.56 -0.02 -1.26 -4.83 135.00 121.42 2nup n PRO 632 Ca 0.06 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 2nup n PRO 632 Cb 0.56 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 2nup n PRO 632 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2nup s GLU 633 N 0.31 0.16 0.06 -0.52 2.02 -0.69 -4.95 118.70 115.09 2nup s GLU 633 Ca 0.82 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 55.48 2nup s GLU 633 Cb -0.93 -0.21 -0.06 0.00 0.10 0.00 0.00 34.13 33.03 2nup s GLU 633 CO 0.48 -0.00 1.20 -2.14 0.02 0.00 0.00 175.26 174.82 2nup s PRO 634 N 0.20 4.43 0.15 0.39 0.02 -1.26 0.63 135.00 139.56 2nup s PRO 634 Ca -0.02 1.78 0.07 0.00 0.02 0.00 0.00 61.00 62.85 2nup s PRO 634 Cb -0.04 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 2nup s PRO 634 CO -0.01 -0.26 -0.15 0.14 -0.33 0.00 0.00 177.00 176.39 2nup s VAL 635 N 1.07 1.50 0.58 3.83 -7.23 0.58 -4.91 120.40 115.83 2nup s VAL 635 Ca 0.59 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 2nup s VAL 635 Cb -0.30 -1.70 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 2nup s VAL 635 CO 0.29 -0.44 0.52 0.18 -0.31 0.00 0.00 175.10 175.35 2nup n LEU 636 N 0.30 0.77 -3.69 1.32 4.32 -1.26 -4.37 117.00 114.40 2nup n LEU 636 Ca -0.14 0.72 -0.42 0.00 -0.02 0.00 0.00 56.01 56.16 2nup n LEU 636 Cb 0.58 -1.18 -0.00 0.00 -1.62 0.00 0.00 43.42 41.20 2nup n LEU 636 CO 0.29 -3.07 2.49 0.18 -1.22 0.00 0.00 177.39 176.06 2nup n LEU 637 N 0.43 7.22 -4.15 2.23 4.77 -1.26 -4.66 117.00 121.58 2nup n LEU 637 Ca 0.11 -4.45 -0.16 0.00 -0.03 0.00 0.00 56.01 51.48 2nup n LEU 637 Cb 0.48 -1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 39.91 2nup n LEU 637 CO 0.51 1.47 -0.44 -0.62 -1.33 0.00 0.00 177.39 176.98 2nup s ASP 638 N 1.83 1.45 0.28 -1.43 -1.08 -1.26 -1.93 116.67 114.52 2nup s ASP 638 Ca 0.48 -0.65 0.01 0.00 -0.52 0.00 0.00 52.55 51.87 2nup s ASP 638 Cb 0.14 -0.02 0.57 0.00 -1.46 0.00 0.00 42.92 42.15 2nup s ASP 638 CO -0.05 -0.15 1.79 0.28 0.52 0.00 0.00 175.17 177.56 2nup h SER 639 N 4.15 0.71 -0.41 -0.34 0.02 -1.90 0.11 113.55 115.89 2nup h SER 639 Ca -0.39 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2nup h SER 639 Cb 1.19 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2nup h SER 639 CO 0.43 0.32 0.79 0.77 -1.14 0.00 0.00 176.83 178.00 2nup h SER 640 N 0.77 0.00 0.49 3.07 4.64 -1.95 0.35 113.55 120.92 2nup h SER 640 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2nup h SER 640 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2nup h SER 640 CO -0.33 0.00 -0.31 -1.20 -0.87 0.00 0.00 176.83 174.12 2nup n SER 641 N -3.10 0.54 -4.51 4.97 7.64 0.40 -4.64 113.62 114.92 2nup n SER 641 Ca 0.08 -0.35 -0.43 0.00 1.01 0.00 0.00 58.87 59.18 2nup n SER 641 Cb 0.93 0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.19 2nup n SER 641 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2nup s ILE 642 N -2.79 4.56 0.35 0.44 1.01 0.12 -4.99 121.20 119.90 2nup s ILE 642 Ca 0.18 -2.09 -0.17 0.00 0.00 0.00 0.00 60.65 58.57 2nup s ILE 642 Cb 0.19 -5.02 -0.09 0.00 0.01 0.00 0.00 42.46 37.54 2nup s ILE 642 CO 0.60 -1.79 0.79 -0.76 0.00 0.00 0.00 174.94 173.77 2nup s LEU 643 N 2.99 4.04 0.19 2.97 1.43 -1.26 -4.99 118.68 124.05 2nup s LEU 643 Ca 0.46 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 2nup s LEU 643 Cb -0.00 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.13 2nup s LEU 643 CO 0.01 -0.24 1.45 0.00 0.23 0.00 0.00 176.35 177.80 2nup h ALA 644 N 2.21 0.65 -0.99 4.21 0.00 -1.94 -3.23 119.26 120.17 2nup h ALA 644 Ca -0.48 -0.66 -0.69 0.00 0.00 0.00 0.00 54.91 53.08 2nup h ALA 644 Cb 1.18 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.58 2nup h ALA 644 CO 0.64 0.85 0.73 -0.40 0.00 0.00 0.00 179.25 181.08 2nup n ASP 645 N -3.73 7.36 -3.79 0.00 5.75 -1.26 -2.43 116.55 118.45 2nup n ASP 645 Ca -0.03 -3.80 -0.13 0.00 -0.01 0.00 0.00 54.79 50.83 2nup n ASP 645 Cb 0.74 -0.93 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 2nup n ASP 645 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2nup s ARG 646 N -3.86 0.55 -0.23 0.11 3.52 -1.22 -4.75 118.95 113.07 2nup s ARG 646 Ca 0.61 -0.08 -0.06 0.00 -0.13 0.00 0.00 55.73 56.07 2nup s ARG 646 Cb 0.48 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 34.09 2nup s ARG 646 CO -0.10 -0.13 0.03 0.42 -0.81 0.00 0.00 175.30 174.71 2nup s ILE 647 N -0.95 4.03 0.07 4.11 1.01 0.61 -2.77 121.20 127.31 2nup s ILE 647 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2nup s ILE 647 Cb -0.05 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2nup s ILE 647 CO 0.03 0.38 0.21 -0.76 0.00 0.00 0.00 174.94 174.80 2nup s LEU 648 N 1.41 4.32 -0.19 2.97 1.43 -0.21 0.04 118.68 128.45 2nup s LEU 648 Ca 0.05 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2nup s LEU 648 Cb -0.15 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.20 2nup s LEU 648 CO 0.02 0.15 -0.07 -0.22 0.23 0.00 0.00 176.35 176.46 2nup s LEU 649 N -2.60 2.00 -0.20 1.79 2.96 0.11 -0.12 118.68 122.61 2nup s LEU 649 Ca 0.35 -0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2nup s LEU 649 Cb -0.13 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2nup s LEU 649 CO 0.28 -0.19 -0.02 -0.32 -1.32 0.00 0.00 176.35 174.78 2nup s MET 650 N 1.52 3.53 -0.48 1.98 -2.45 0.11 -0.53 119.30 122.98 2nup s MET 650 Ca -0.01 -0.56 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 2nup s MET 650 Cb -0.16 -3.02 0.12 0.00 1.25 0.00 0.00 34.83 33.01 2nup s MET 650 CO -0.08 -0.02 0.37 0.34 1.05 0.00 0.00 175.02 176.68 2nup s ASP 651 N 1.07 5.82 -0.24 1.11 -1.08 -0.46 -0.87 116.67 122.02 2nup s ASP 651 Ca 0.02 -1.83 -0.15 0.00 -0.52 0.00 0.00 52.55 50.07 2nup s ASP 651 Cb -0.14 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 2nup s ASP 651 CO 0.01 -0.72 0.35 -0.89 0.52 0.00 0.00 175.17 174.45 2nup s THR 652 N 1.43 5.21 0.34 1.71 2.01 0.27 -2.86 115.64 123.75 2nup s THR 652 Ca 0.05 0.57 0.22 0.00 0.31 0.00 0.00 61.69 62.84 2nup s THR 652 Cb -0.27 -3.68 0.36 0.00 0.01 0.00 0.00 72.50 68.92 2nup s THR 652 CO 0.01 0.22 1.31 0.33 -0.69 0.00 0.00 174.62 175.80 2nup n PHE 653 N 4.87 0.78 0.25 4.92 7.35 -1.26 0.99 117.46 135.36 2nup n PHE 653 Ca -0.09 0.79 0.12 0.00 -0.76 0.00 0.00 57.45 57.51 2nup n PHE 653 Cb 0.51 -1.20 0.18 0.00 0.35 0.00 0.00 39.48 39.32 2nup n PHE 653 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2nup h PHE 654 N 0.00 0.00 -2.74 -5.13 -1.00 -1.93 -3.42 116.94 102.72 2nup h PHE 654 Ca 0.72 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.38 2nup h PHE 654 Cb 2.13 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 41.45 2nup h PHE 654 CO -0.01 0.00 -0.22 1.14 -1.61 0.00 0.00 178.31 177.61 2nup s GLN 655 N -3.21 0.51 -0.25 1.51 -2.07 0.28 -1.80 119.66 114.63 2nup s GLN 655 Ca 0.07 0.52 -0.06 0.00 -1.82 0.00 0.00 55.36 54.07 2nup s GLN 655 Cb 0.06 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 2nup s GLN 655 CO 0.67 -0.07 0.04 0.42 -1.32 0.00 0.00 175.29 175.02 2nup s ILE 656 N 0.09 3.91 -0.04 3.63 1.01 -0.06 -0.57 121.20 129.17 2nup s ILE 656 Ca -0.01 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.28 2nup s ILE 656 Cb -0.03 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2nup s ILE 656 CO 0.01 0.29 -0.24 -0.22 0.00 0.00 0.00 174.94 174.78 2nup s LEU 657 N 1.54 2.05 -0.11 2.97 0.20 -0.05 -1.27 118.68 124.00 2nup s LEU 657 Ca 0.05 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.42 2nup s LEU 657 Cb -0.15 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.31 2nup s LEU 657 CO 0.01 0.27 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.53 2nup s ILE 658 N -0.35 2.68 -0.04 6.68 1.01 -0.40 0.05 121.20 130.83 2nup s ILE 658 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2nup s ILE 658 Cb -0.12 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2nup s ILE 658 CO 0.01 0.54 -0.18 -0.47 0.00 0.00 0.00 174.94 174.85 2nup s TYR 659 N 0.23 2.59 -0.31 3.97 5.04 0.83 -2.36 117.35 127.34 2nup s TYR 659 Ca -0.11 -0.28 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 2nup s TYR 659 Cb -0.16 -1.60 0.08 0.00 0.35 0.00 0.00 41.96 40.63 2nup s TYR 659 CO 0.06 0.09 -0.01 -1.01 -1.34 0.00 0.00 175.55 173.34 2nup s HIS 660 N -0.63 3.56 0.70 4.97 3.76 -1.13 -1.04 115.29 125.48 2nup s HIS 660 Ca 0.09 -2.71 -0.16 0.00 -0.15 0.00 0.00 55.06 52.13 2nup s HIS 660 Cb -0.11 -2.53 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 2nup s HIS 660 CO 0.00 -0.92 0.69 0.41 -0.85 0.00 0.00 174.74 174.08 2nup n GLY 661 N 4.33 -1.12 0.19 -2.22 0.00 -1.12 -2.10 105.19 103.16 2nup n GLY 661 Ca -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 2nup n GLY 661 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nup n GLU 662 N -1.04 -0.11 0.12 1.61 2.13 -1.24 -1.31 120.64 120.79 2nup n GLU 662 Ca 0.11 0.78 -0.06 0.00 0.66 0.00 0.00 57.16 58.65 2nup n GLU 662 Cb 0.49 -1.15 -0.03 0.00 0.27 0.00 0.00 31.44 31.02 2nup n GLU 662 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2nup h THR 663 N 0.00 0.00 0.00 6.31 2.02 -1.79 -2.71 112.91 116.74 2nup h THR 663 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2nup h THR 663 Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2nup h THR 663 CO -0.50 0.00 0.01 -0.38 0.37 0.00 0.00 175.52 175.02 2nup n ILE 664 N -3.28 1.79 0.06 3.11 5.41 -0.43 -2.81 119.36 123.22 2nup n ILE 664 Ca -0.04 0.45 0.04 0.00 1.00 0.00 0.00 62.75 64.20 2nup n ILE 664 Cb 0.16 -1.45 0.22 0.00 -0.71 0.00 0.00 39.64 37.85 2nup n ILE 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2nup n ALA 665 N -1.45 0.98 -0.87 -1.39 0.00 -0.61 -4.91 120.51 112.26 2nup n ALA 665 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2nup n ALA 665 Cb 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2nup n ALA 665 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nup n GLN 666 N -1.77 0.00 0.19 0.00 6.02 -1.12 -5.11 117.38 115.58 2nup n GLN 666 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2nup n GLN 666 Cb 0.03 0.00 0.69 0.00 1.02 0.00 0.00 30.24 31.99 2nup n GLN 666 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2nup h GLU 679 N 0.00 0.00 0.48 -1.09 4.39 -2.06 -3.54 114.58 112.75 2nup h GLU 679 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2nup h GLU 679 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2nup h GLU 679 CO 0.00 0.00 -0.23 -2.95 -1.16 0.00 0.00 179.01 174.67 2nup h ASN 680 N 0.00 -0.54 -0.97 1.42 -1.07 -2.06 -2.33 115.58 110.03 2nup h ASN 680 Ca 0.08 0.02 0.26 0.00 0.07 0.00 0.00 56.30 56.72 2nup h ASN 680 Cb 0.33 0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.66 2nup h ASN 680 CO -0.00 -0.18 0.67 0.15 0.07 0.00 0.00 177.43 178.14 2nup h PHE 681 N -1.06 0.28 0.22 4.14 3.57 -2.05 -1.39 116.94 120.66 2nup h PHE 681 Ca -0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2nup h PHE 681 Cb 0.49 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2nup h PHE 681 CO 0.01 0.05 -0.11 0.00 -2.23 0.00 0.00 178.31 176.04 2nup h ARG 682 N 0.19 -0.29 -1.23 1.11 3.08 -1.98 -0.65 114.38 114.61 2nup h ARG 682 Ca 0.49 0.02 0.37 0.00 0.07 0.00 0.00 59.98 60.93 2nup h ARG 682 Cb 1.60 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.60 2nup h ARG 682 CO -0.11 0.07 0.80 0.45 -1.07 0.00 0.00 179.97 180.12 2nup h HIS 683 N -0.73 0.51 0.10 3.04 3.86 -0.68 0.36 115.15 121.61 2nup h HIS 683 Ca -0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2nup h HIS 683 Cb 0.50 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2nup h HIS 683 CO 0.05 -0.09 -0.05 1.25 0.86 0.00 0.00 177.93 179.95 2nup h LEU 684 N 0.18 -0.11 -1.55 2.43 5.85 -1.36 -1.59 115.31 119.16 2nup h LEU 684 Ca 0.73 0.00 0.28 0.00 0.84 0.00 0.00 57.88 59.73 2nup h LEU 684 Cb 2.21 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 43.24 2nup h LEU 684 CO -0.33 0.06 0.96 -0.07 -0.34 0.00 0.00 178.44 178.71 2nup h LEU 685 N -0.41 0.00 -1.93 2.25 3.38 -0.10 0.53 115.31 119.04 2nup h LEU 685 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2nup h LEU 685 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2nup h LEU 685 CO 0.02 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.22 2nup n GLN 686 N -3.57 1.34 -0.04 1.13 7.27 0.02 -4.50 117.38 119.04 2nup n GLN 686 Ca 0.21 -1.47 -0.11 0.00 0.07 0.00 0.00 57.00 55.70 2nup n GLN 686 Cb 1.26 -1.23 -0.05 0.00 2.41 0.00 0.00 30.24 32.63 2nup n GLN 686 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nup h ALA 687 N 2.12 0.20 -0.35 1.69 0.00 0.11 -0.72 119.26 122.31 2nup h ALA 687 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2nup h ALA 687 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2nup h ALA 687 CO 0.00 -0.24 -0.32 -1.00 0.00 0.00 0.00 179.25 177.69 2nup h PRO 688 N 0.12 0.79 -0.36 0.00 0.13 -1.80 -2.77 132.00 128.10 2nup h PRO 688 Ca 0.05 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2nup h PRO 688 Cb 0.13 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 2nup h PRO 688 CO -0.01 1.00 0.23 0.28 -0.23 0.00 0.00 178.00 179.27 2nup h VAL 689 N 0.66 1.10 0.30 1.56 2.07 -1.74 0.28 116.25 120.48 2nup h VAL 689 Ca 0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2nup h VAL 689 Cb 0.87 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2nup h VAL 689 CO 0.08 0.10 -0.14 0.44 0.02 0.00 0.00 177.57 178.06 2nup h ASP 690 N 0.49 -0.34 -0.98 0.57 5.19 -0.95 -2.91 116.42 117.48 2nup h ASP 690 Ca 0.13 -0.19 0.10 0.00 -0.62 0.00 0.00 57.03 56.46 2nup h ASP 690 Cb -0.04 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.48 2nup h ASP 690 CO -0.03 0.12 0.62 0.44 -3.12 0.00 0.00 179.24 177.28 2nup h ASP 691 N -0.94 0.94 0.14 6.45 3.32 -1.30 -2.66 116.42 122.37 2nup h ASP 691 Ca -0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2nup h ASP 691 Cb 0.50 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2nup h ASP 691 CO 0.07 0.54 -0.47 0.00 -1.72 0.00 0.00 179.24 177.66 2nup h ALA 692 N 1.50 -0.86 -0.99 3.45 0.00 -0.96 -2.73 119.26 118.67 2nup h ALA 692 Ca 0.47 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.43 2nup h ALA 692 Cb 0.37 0.79 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 2nup h ALA 692 CO -0.23 -1.05 -0.40 1.96 0.00 0.00 0.00 179.25 179.52 2nup h GLN 693 N -0.71 -0.00 -0.28 0.00 1.08 -1.26 0.26 115.11 114.19 2nup h GLN 693 Ca 0.01 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2nup h GLN 693 Cb 0.73 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 2nup h GLN 693 CO -0.26 -0.00 -0.27 0.93 -0.95 0.00 0.00 178.83 178.28 2nup h GLU 694 N -0.00 -0.13 -0.19 1.46 5.08 -1.49 -1.88 114.58 117.43 2nup h GLU 694 Ca 0.33 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2nup h GLU 694 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2nup h GLU 694 CO -0.98 -0.09 -0.34 0.97 -1.00 0.00 0.00 179.01 177.58 2nup h ILE 695 N -0.13 1.28 0.00 3.13 2.10 -1.46 -3.17 117.51 119.26 2nup h ILE 695 Ca 0.05 -1.40 0.00 0.00 1.08 0.00 0.00 64.86 64.59 2nup h ILE 695 Cb 0.26 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2nup h ILE 695 CO -0.34 0.43 0.00 -0.11 -1.08 0.00 0.00 178.15 177.06 2nup n LEU 696 N -4.07 1.62 0.00 2.19 7.94 0.88 -2.75 117.00 122.81 2nup n LEU 696 Ca -0.01 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 54.15 2nup n LEU 696 Cb 0.45 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2nup n LEU 696 CO 0.42 0.30 0.00 1.41 -1.11 0.00 0.00 177.39 178.41 2nup n HIS 697 N 1.58 -1.48 0.11 1.96 8.25 -1.20 -4.90 115.22 119.54 2nup n HIS 697 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2nup n HIS 697 Cb 0.17 0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 2nup n HIS 697 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2nup h SER 698 N 0.00 -0.70 -1.58 0.41 4.64 -1.59 -3.42 113.55 111.30 2nup h SER 698 Ca 0.00 0.08 -0.69 0.00 -0.47 0.00 0.00 61.79 60.71 2nup h SER 698 Cb 0.00 0.27 0.06 0.00 -0.31 0.00 0.00 62.40 62.42 2nup h SER 698 CO 0.00 -0.34 0.26 -1.14 -0.87 0.00 0.00 176.83 174.74 2nup n ARG 699 N -5.37 0.85 0.00 4.77 0.63 -1.21 -4.95 116.66 111.38 2nup n ARG 699 Ca -0.07 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2nup n ARG 699 Cb 0.28 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.35 2nup n ARG 699 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2nup n PHE 700 N 1.85 0.00 -1.57 -0.14 7.35 -1.26 -4.17 117.46 119.51 2nup n PHE 700 Ca 0.18 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.43 2nup n PHE 700 Cb 0.19 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.98 2nup n PHE 700 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2nup n PRO 701 N -0.48 1.79 -1.67 -7.13 -0.02 -1.26 -4.77 135.00 121.46 2nup n PRO 701 Ca 0.00 0.47 -0.48 0.00 -2.02 0.00 0.00 63.50 61.47 2nup n PRO 701 Cb 0.00 -3.14 -0.05 0.00 -0.02 0.00 0.00 33.50 30.29 2nup n PRO 701 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2nup n MET 702 N 8.71 2.03 -2.40 -0.52 1.56 -1.26 -4.88 117.12 120.35 2nup n MET 702 Ca 0.32 0.74 -0.35 0.00 -0.27 0.00 0.00 57.70 58.14 2nup n MET 702 Cb 0.42 -2.51 -0.02 0.00 2.15 0.00 0.00 33.22 33.26 2nup n MET 702 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2nup s PRO 703 N 1.94 3.59 0.16 2.12 0.04 -1.26 -4.97 135.00 136.62 2nup s PRO 703 Ca 0.84 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2nup s PRO 703 Cb -0.72 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 2nup s PRO 703 CO 0.44 -0.63 1.25 0.50 0.04 0.00 0.00 177.00 178.60 2nup s ARG 704 N -3.23 4.44 0.20 4.56 3.52 -0.75 -4.69 118.95 123.01 2nup s ARG 704 Ca 0.70 1.93 -0.05 0.00 -0.13 0.00 0.00 55.73 58.18 2nup s ARG 704 Cb -0.20 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2nup s ARG 704 CO 0.24 -0.20 0.45 -0.47 -0.81 0.00 0.00 175.30 174.51 2nup s TYR 705 N 0.29 3.47 -0.15 5.12 5.04 -1.26 -0.88 117.35 128.98 2nup s TYR 705 Ca 0.56 0.58 -0.11 0.00 -2.44 0.00 0.00 57.07 55.66 2nup s TYR 705 Cb -0.34 -2.04 0.05 0.00 0.35 0.00 0.00 41.96 39.99 2nup s TYR 705 CO 0.35 0.33 0.37 0.42 -1.34 0.00 0.00 175.55 175.69 2nup s ILE 706 N -1.83 -0.01 -0.24 3.14 1.01 -0.40 -4.93 121.20 117.94 2nup s ILE 706 Ca 0.42 0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.14 2nup s ILE 706 Cb -0.11 -0.54 0.06 0.00 0.01 0.00 0.00 42.46 41.88 2nup s ILE 706 CO 0.26 0.02 -0.06 -0.62 0.00 0.00 0.00 174.94 174.54 2nup s ASP 707 N 0.80 3.99 0.07 3.58 -1.08 -1.26 -1.28 116.67 121.49 2nup s ASP 707 Ca -0.05 -1.24 0.01 0.00 -0.52 0.00 0.00 52.55 50.75 2nup s ASP 707 Cb -0.06 -1.26 -0.00 0.00 -1.46 0.00 0.00 42.92 40.14 2nup s ASP 707 CO -0.06 -0.23 0.05 1.07 0.52 0.00 0.00 175.17 176.52 2nup n THR 708 N 4.62 0.00 -3.62 1.71 5.66 -1.00 -5.02 114.28 116.63 2nup n THR 708 Ca -0.12 -0.49 -0.05 0.00 -3.05 0.00 0.00 64.05 60.33 2nup n THR 708 Cb 0.44 0.22 -0.02 0.00 -1.55 0.00 0.00 70.33 69.42 2nup n THR 708 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2nup s GLU 709 N -2.29 0.89 -0.29 1.09 1.03 -1.26 -2.85 118.70 115.01 2nup s GLU 709 Ca 0.07 -0.42 -0.43 0.00 0.03 0.00 0.00 54.97 54.22 2nup s GLU 709 Cb 0.00 0.35 -0.19 0.00 -0.80 0.00 0.00 34.13 33.50 2nup s GLU 709 CO 0.05 -0.40 1.51 1.58 -1.33 0.00 0.00 175.26 176.67 2nup n HIS 710 N -0.34 1.59 0.00 4.83 -0.00 -0.89 0.42 115.22 120.83 2nup n HIS 710 Ca -0.07 0.93 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 2nup n HIS 710 Cb 0.61 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 2nup n HIS 710 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2nup n GLY 711 N 3.42 2.97 3.65 1.57 0.00 -1.26 -4.80 105.19 110.74 2nup n GLY 711 Ca 0.27 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2nup n GLY 711 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nup n GLY 712 N 0.00 -0.21 0.19 -0.02 0.00 0.17 -4.91 105.19 100.41 2nup n GLY 712 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 2nup n GLY 712 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nup h SER 713 N -0.24 0.36 0.60 1.61 4.64 -1.97 -2.98 113.55 115.56 2nup h SER 713 Ca -0.48 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2nup h SER 713 Cb 1.33 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2nup h SER 713 CO 0.48 0.83 0.00 0.00 -0.87 0.00 0.00 176.83 177.27 2nup n GLN 714 N -3.93 0.06 0.32 4.77 6.02 -1.26 -2.80 117.38 120.56 2nup n GLN 714 Ca -0.02 0.30 0.21 0.00 -0.01 0.00 0.00 57.00 57.48 2nup n GLN 714 Cb 0.58 -1.62 1.08 0.00 1.02 0.00 0.00 30.24 31.30 2nup n GLN 714 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nup h ALA 715 N 2.44 1.00 -0.48 -1.58 0.00 -1.80 -2.77 119.26 116.08 2nup h ALA 715 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2nup h ALA 715 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2nup h ALA 715 CO 0.00 0.00 0.33 0.07 0.00 0.00 0.00 179.25 179.65 2nup h ARG 716 N 0.00 0.22 -0.46 0.00 0.11 -1.75 -2.08 114.38 110.42 2nup h ARG 716 Ca -0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2nup h ARG 716 Cb 0.14 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.14 2nup h ARG 716 CO 0.00 0.15 0.14 0.74 0.10 0.00 0.00 179.97 181.09 2nup h PHE 717 N 0.23 0.68 0.01 4.08 -1.00 -1.77 -1.89 116.94 117.28 2nup h PHE 717 Ca 0.22 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.96 2nup h PHE 717 Cb 0.58 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.93 2nup h PHE 717 CO -0.00 0.57 -0.00 1.25 -1.61 0.00 0.00 178.31 178.51 2nup h LEU 718 N 0.66 -0.01 -2.41 1.54 5.85 -1.60 -3.21 115.31 116.13 2nup h LEU 718 Ca 0.15 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.26 2nup h LEU 718 Cb 0.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2nup h LEU 718 CO -0.01 0.65 0.14 -0.07 -0.34 0.00 0.00 178.44 178.81 2nup h LEU 719 N -0.68 0.00 0.00 2.25 3.38 -1.27 -1.97 115.31 117.02 2nup h LEU 719 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nup h LEU 719 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2nup h LEU 719 CO 0.00 0.00 -1.15 -1.54 0.09 0.00 0.00 178.44 175.84 2nup n SER 720 N -3.54 0.73 0.03 -0.43 3.41 -0.73 -3.93 113.62 109.16 2nup n SER 720 Ca -0.01 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2nup n SER 720 Cb 0.23 0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 64.84 2nup n SER 720 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nup n LYS 721 N -2.62 0.32 0.00 4.33 4.76 -0.88 -4.96 118.16 119.12 2nup n LYS 721 Ca -0.01 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2nup n LYS 721 Cb 0.56 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2nup n LYS 721 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2nup n VAL 722 N -2.00 0.00 0.00 -0.18 3.14 -0.80 -4.95 118.33 113.55 2nup n VAL 722 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2nup n VAL 722 Cb 0.45 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 2nup n VAL 722 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2nup n ASN 723 N -1.04 0.00 0.00 6.55 4.05 -0.81 -4.87 115.26 119.14 2nup n ASN 723 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2nup n ASN 723 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2nup n ASN 723 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2nup n ASP 746 N 7.76 0.00 0.00 1.20 8.00 -1.26 -3.98 116.55 128.27 2nup n ASP 746 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2nup n ASP 746 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2nup n ASP 746 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2nup n VAL 747 N 0.00 0.00 -2.30 2.53 0.31 -1.26 -5.06 118.33 112.55 2nup n VAL 747 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 2nup n VAL 747 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2nup n VAL 747 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2nup s SER 748 N -1.00 5.95 0.29 4.52 1.04 -1.26 -4.86 113.70 118.38 2nup s SER 748 Ca 0.00 1.00 0.03 0.00 0.48 0.00 0.00 55.95 57.45 2nup s SER 748 Cb 0.00 -2.09 0.61 0.00 0.10 0.00 0.00 66.02 64.64 2nup s SER 748 CO 0.00 -0.88 1.83 0.25 0.98 0.00 0.00 173.24 175.41 2nup h LEU 749 N -0.13 0.89 -0.22 2.42 5.85 -1.98 0.55 115.31 122.69 2nup h LEU 749 Ca -0.46 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.35 2nup h LEU 749 Cb 1.22 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2nup h LEU 749 CO 0.62 0.44 0.04 1.56 -0.34 0.00 0.00 178.44 180.75 2nup h GLN 750 N 0.93 0.12 -0.43 1.25 7.50 -1.94 0.54 115.11 123.09 2nup h GLN 750 Ca 0.51 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.59 2nup h GLN 750 Cb 0.59 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 2nup h GLN 750 CO -0.28 0.08 0.00 0.28 -1.50 0.00 0.00 178.83 177.41 2nup h VAL 751 N 0.12 1.26 -0.45 -0.54 2.07 -1.78 -1.87 116.25 115.06 2nup h VAL 751 Ca 0.10 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2nup h VAL 751 Cb 0.10 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2nup h VAL 751 CO -0.14 0.35 0.19 0.15 0.02 0.00 0.00 177.57 178.14 2nup h PHE 752 N 0.59 0.35 -0.49 1.57 3.57 -0.30 -1.73 116.94 120.49 2nup h PHE 752 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2nup h PHE 752 Cb 0.48 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2nup h PHE 752 CO 0.04 0.15 0.24 0.52 -2.23 0.00 0.00 178.31 177.03 2nup h MET 753 N 0.39 0.71 -0.32 1.11 2.86 0.29 -1.79 114.93 118.17 2nup h MET 753 Ca 0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2nup h MET 753 Cb 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2nup h MET 753 CO -0.18 0.59 0.19 -0.44 1.06 0.00 0.00 176.91 178.13 2nup h ASP 754 N 0.65 0.39 -0.47 1.22 3.32 -0.98 -0.45 116.42 120.10 2nup h ASP 754 Ca 0.17 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2nup h ASP 754 Cb 0.12 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2nup h ASP 754 CO -0.02 0.33 0.26 -0.74 -1.72 0.00 0.00 179.24 177.35 2nup h HIS 755 N 0.41 0.67 -0.41 4.55 2.76 -1.19 -0.28 115.15 121.66 2nup h HIS 755 Ca 0.11 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.17 2nup h HIS 755 Cb 0.02 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 2nup h HIS 755 CO -0.04 0.48 -0.19 1.25 -1.30 0.00 0.00 177.93 178.14 2nup h LEU 756 N 0.69 0.79 -0.30 0.26 5.85 -0.64 -2.39 115.31 119.56 2nup h LEU 756 Ca 0.18 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2nup h LEU 756 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2nup h LEU 756 CO -0.03 0.97 -0.26 0.11 -0.34 0.00 0.00 178.44 178.89 2nup h LYS 757 N 0.69 0.71 -0.59 1.25 1.57 -0.13 0.22 116.57 120.29 2nup h LYS 757 Ca 0.10 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2nup h LYS 757 Cb 0.69 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 2nup h LYS 757 CO 0.05 0.97 0.39 0.87 -0.57 0.00 0.00 179.45 181.16 2nup h LYS 758 N 0.47 0.70 0.00 3.15 1.57 -0.97 -1.19 116.57 120.30 2nup h LYS 758 Ca 0.05 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 2nup h LYS 758 Cb 0.82 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2nup h LYS 758 CO 0.07 0.47 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.21 2nup h LEU 759 N 0.72 0.00 -0.11 2.94 3.38 -1.24 -3.24 115.31 117.76 2nup h LEU 759 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2nup h LEU 759 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nup h LEU 759 CO -0.06 0.78 -0.00 0.00 0.09 0.00 0.00 178.44 179.25 2nup h ALA 760 N 1.22 0.15 0.00 1.53 0.00 0.40 -3.18 119.26 119.38 2nup h ALA 760 Ca -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2nup h ALA 760 Cb 1.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2nup h ALA 760 CO 0.08 -0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.51 2nup n VAL 761 N -4.80 0.47 -0.50 0.00 0.24 -0.54 -4.74 118.33 108.46 2nup n VAL 761 Ca -0.06 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2nup n VAL 761 Cb 0.21 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 2nup n VAL 761 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2nup n SER 762 N -1.79 0.00 -4.74 -1.34 3.41 -1.20 0.12 113.62 108.07 2nup n SER 762 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 2nup n SER 762 Cb 0.31 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 2nup n SER 762 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nup s SER 763 N -1.00 4.93 0.00 4.04 1.04 -1.26 -4.81 113.70 116.64 2nup s SER 763 Ca 0.00 2.49 0.25 0.00 0.48 0.00 0.00 55.95 59.16 2nup s SER 763 Cb 0.00 -2.61 0.31 0.00 0.10 0.00 0.00 66.02 63.82 2nup s SER 763 CO 0.00 -1.77 1.32 0.00 0.98 0.00 0.00 173.24 173.77