#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kmm s ILE 5 N 0.00 4.76 0.51 1.53 1.01 -1.26 -5.13 121.20 122.63 1kmm s ILE 5 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1kmm s ILE 5 Cb 0.00 -3.08 0.07 0.00 0.01 0.00 0.00 42.46 39.46 1kmm s ILE 5 CO 0.00 0.52 0.60 0.00 0.00 0.00 0.00 174.94 176.06 1kmm n GLN 6 N 1.77 0.69 -3.42 2.79 6.02 -1.26 -5.11 117.38 118.86 1kmm n GLN 6 Ca -0.17 -2.90 -0.33 0.00 -0.01 0.00 0.00 57.00 53.59 1kmm n GLN 6 Cb 0.54 -0.03 -0.05 0.00 1.02 0.00 0.00 30.24 31.72 1kmm n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kmm s ALA 7 N -2.65 3.58 0.24 -1.58 0.00 -1.26 -5.01 121.76 115.07 1kmm s ALA 7 Ca 0.45 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1kmm s ALA 7 Cb -0.04 -2.44 -0.13 0.00 0.00 0.00 0.00 23.12 20.51 1kmm s ALA 7 CO 0.29 0.50 1.39 -0.89 0.00 0.00 0.00 175.76 177.05 1kmm n ILE 8 N 0.06 1.02 -1.86 0.00 -0.00 -1.26 -4.85 119.36 112.47 1kmm n ILE 8 Ca -0.01 -0.26 -0.41 0.00 -0.00 0.00 0.00 62.75 62.07 1kmm n ILE 8 Cb 0.52 -1.45 -0.01 0.00 -0.00 0.00 0.00 39.64 38.70 1kmm n ILE 8 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1kmm s ARG 9 N -0.51 4.17 0.00 0.38 3.52 -1.26 -2.71 118.95 122.54 1kmm s ARG 9 Ca 0.67 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 1kmm s ARG 9 Cb -0.65 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1kmm s ARG 9 CO 0.51 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1kmm n GLY 10 N 1.75 0.74 2.95 8.12 0.00 -1.26 -4.82 105.19 112.66 1kmm n GLY 10 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1kmm n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kmm s MET 11 N -0.41 1.79 0.44 1.61 -1.94 -1.10 1.00 119.30 120.69 1kmm s MET 11 Ca 0.00 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 1kmm s MET 11 Cb 0.00 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.82 1kmm s MET 11 CO 0.00 -0.35 0.66 -0.80 -0.01 0.00 0.00 175.02 174.52 1kmm s ASN 12 N 1.57 5.85 -0.09 3.03 -0.87 -1.26 -4.66 114.94 118.50 1kmm s ASN 12 Ca 0.02 0.27 0.01 0.00 -1.57 0.00 0.00 52.86 51.59 1kmm s ASN 12 Cb -0.14 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.25 39.54 1kmm s ASN 12 CO -0.09 -0.68 -0.12 -1.81 -2.57 0.00 0.00 177.10 171.84 1kmm s ASP 13 N -4.21 4.20 -0.30 -1.22 1.01 -1.26 -5.10 116.67 109.79 1kmm s ASP 13 Ca 0.48 -0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.50 1kmm s ASP 13 Cb -0.10 -1.28 0.04 0.00 1.01 0.00 0.00 42.92 42.59 1kmm s ASP 13 CO 0.38 0.26 0.03 -0.31 0.21 0.00 0.00 175.17 175.74 1kmm s TYR 14 N -0.23 3.21 0.68 4.23 2.02 -1.26 -5.10 117.35 120.90 1kmm s TYR 14 Ca 0.02 -1.57 -0.11 0.00 -0.37 0.00 0.00 57.07 55.04 1kmm s TYR 14 Cb -0.13 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1kmm s TYR 14 CO 0.03 -0.74 1.07 -0.51 -1.57 0.00 0.00 175.55 173.83 1kmm s LEU 15 N 1.34 2.98 0.30 -1.29 1.43 -1.26 -4.75 118.68 117.43 1kmm s LEU 15 Ca -0.02 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1kmm s LEU 15 Cb -0.19 -4.00 0.76 0.00 0.03 0.00 0.00 46.19 42.79 1kmm s LEU 15 CO -0.00 -1.23 1.65 -0.65 0.23 0.00 0.00 176.35 176.35 1kmm h PRO 16 N -0.56 0.24 -0.45 1.29 0.11 -1.99 0.62 132.00 131.26 1kmm h PRO 16 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1kmm h PRO 16 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1kmm h PRO 16 CO 0.63 0.16 0.26 0.78 -0.21 0.00 0.00 178.00 179.62 1kmm h GLY 17 N 0.24 0.63 1.57 -0.55 0.00 -2.02 -2.97 103.07 99.97 1kmm h GLY 17 Ca 0.58 -0.19 -0.23 0.00 0.00 0.00 0.00 47.33 47.49 1kmm h GLY 17 CO -0.64 0.16 -1.24 -2.09 0.00 0.00 0.00 176.54 172.74 1kmm h GLU 18 N 0.52 0.00 -0.86 4.80 4.81 -1.67 -3.30 114.58 118.87 1kmm h GLU 18 Ca 0.18 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.61 1kmm h GLU 18 Cb 0.03 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.30 1kmm h GLU 18 CO -0.09 0.72 0.37 0.00 -0.73 0.00 0.00 179.01 179.28 1kmm h THR 19 N 0.00 0.53 -0.54 0.32 1.03 -0.76 0.13 112.91 113.63 1kmm h THR 19 Ca -0.12 -0.15 0.08 0.00 -0.01 0.00 0.00 66.41 66.22 1kmm h THR 19 Cb 1.81 0.07 -0.07 0.00 -1.07 0.00 0.00 68.15 68.89 1kmm h THR 19 CO 0.10 0.08 0.17 0.00 -0.01 0.00 0.00 175.52 175.86 1kmm h ALA 20 N 1.66 0.65 -0.17 0.00 0.00 -1.62 0.28 119.26 120.07 1kmm h ALA 20 Ca 0.52 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.45 1kmm h ALA 20 Cb 0.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1kmm h ALA 20 CO -0.49 -0.24 -0.18 0.82 0.00 0.00 0.00 179.25 179.16 1kmm h ILE 21 N 0.33 1.21 -0.20 0.00 1.08 -0.92 -2.72 117.51 116.29 1kmm h ILE 21 Ca 0.27 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 1kmm h ILE 21 Cb 0.33 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1kmm h ILE 21 CO -0.29 0.30 -0.03 -0.50 -0.69 0.00 0.00 178.15 176.93 1kmm h TRP 22 N 0.27 0.42 -0.43 1.37 4.06 -0.36 -2.35 115.95 118.93 1kmm h TRP 22 Ca 0.05 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 1kmm h TRP 22 Cb 0.48 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 1kmm h TRP 22 CO 0.01 0.61 0.01 -0.56 -3.56 0.00 0.00 178.44 174.95 1kmm h GLN 23 N 0.11 0.69 -0.46 0.49 3.07 -1.25 0.33 115.11 118.09 1kmm h GLN 23 Ca 0.05 -0.17 -0.05 0.00 0.09 0.00 0.00 58.65 58.57 1kmm h GLN 23 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1kmm h GLN 23 CO 0.02 0.70 0.08 -0.09 0.09 0.00 0.00 178.83 179.62 1kmm h ARG 24 N 0.65 0.76 -0.31 0.06 2.43 -1.45 -0.08 114.38 116.43 1kmm h ARG 24 Ca 0.13 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1kmm h ARG 24 Cb 0.39 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1kmm h ARG 24 CO 0.01 0.78 -0.05 0.82 -1.51 0.00 0.00 179.97 180.02 1kmm h ILE 25 N 0.63 1.27 -0.26 1.20 2.04 -1.09 -2.86 117.51 118.44 1kmm h ILE 25 Ca 0.14 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1kmm h ILE 25 Cb 0.38 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1kmm h ILE 25 CO 0.01 0.34 0.17 -0.33 0.00 0.00 0.00 178.15 178.34 1kmm h GLU 26 N 0.37 0.35 0.04 2.37 5.08 -0.20 -2.21 114.58 120.37 1kmm h GLU 26 Ca 0.08 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1kmm h GLU 26 Cb 0.52 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1kmm h GLU 26 CO 0.03 0.24 -0.45 0.78 -1.00 0.00 0.00 179.01 178.60 1kmm h GLY 27 N 0.35 -0.89 -0.15 -3.84 0.00 -0.98 0.69 103.07 98.26 1kmm h GLY 27 Ca 0.10 0.55 0.24 0.00 0.00 0.00 0.00 47.33 48.21 1kmm h GLY 27 CO -0.02 -0.25 0.55 -0.84 0.00 0.00 0.00 176.54 175.98 1kmm h THR 28 N -0.63 0.53 -0.01 4.70 2.02 -1.41 0.40 112.91 118.51 1kmm h THR 28 Ca 0.03 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1kmm h THR 28 Cb 0.69 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1kmm h THR 28 CO -0.31 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.62 1kmm h LEU 29 N 0.55 0.01 -1.29 2.58 3.38 -0.42 -1.87 115.31 118.25 1kmm h LEU 29 Ca 0.63 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1kmm h LEU 29 Cb 1.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1kmm h LEU 29 CO -0.48 0.20 -0.06 0.11 0.09 0.00 0.00 178.44 178.30 1kmm h LYS 30 N -0.17 0.41 -0.22 1.13 1.57 0.12 -1.76 116.57 117.65 1kmm h LYS 30 Ca 0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1kmm h LYS 30 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1kmm h LYS 30 CO -0.00 0.49 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.32 1kmm h ASN 31 N 0.39 0.45 0.26 0.86 -0.73 -0.10 -0.98 115.58 115.75 1kmm h ASN 31 Ca 0.08 -0.38 -0.07 0.00 1.87 0.00 0.00 56.30 57.80 1kmm h ASN 31 Cb 0.35 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1kmm h ASN 31 CO 0.02 0.73 -0.30 0.58 -0.37 0.00 0.00 177.43 178.09 1kmm h VAL 32 N 0.17 1.23 -0.29 2.57 2.07 -0.95 -1.39 116.25 119.65 1kmm h VAL 32 Ca 0.05 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1kmm h VAL 32 Cb 0.55 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1kmm h VAL 32 CO 0.03 0.32 -0.14 -0.07 0.02 0.00 0.00 177.57 177.72 1kmm h LEU 33 N 0.06 0.63 -0.88 2.57 3.38 -1.17 -2.98 115.31 116.92 1kmm h LEU 33 Ca 0.01 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.62 1kmm h LEU 33 Cb 0.57 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1kmm h LEU 33 CO 0.04 0.90 0.56 1.23 0.09 0.00 0.00 178.44 181.26 1kmm h GLY 34 N 0.36 1.31 1.51 0.83 0.00 -0.52 -1.21 103.07 105.36 1kmm h GLY 34 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1kmm h GLY 34 CO 0.04 0.31 0.00 -1.14 0.00 0.00 0.00 176.54 175.75 1kmm n SER 35 N -4.58 0.00 -0.47 0.19 3.41 -0.59 -1.01 113.62 110.59 1kmm n SER 35 Ca 0.12 0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 1kmm n SER 35 Cb 0.14 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1kmm n SER 35 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1kmm n TYR 36 N -1.26 0.00 -0.95 7.33 4.02 -0.46 -5.00 117.16 120.84 1kmm n TYR 36 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1kmm n TYR 36 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1kmm n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kmm n GLY 37 N 0.89 0.44 3.75 2.72 0.00 -0.18 -5.05 105.19 107.76 1kmm n GLY 37 Ca 0.07 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1kmm n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kmm s TYR 38 N -2.00 3.86 -0.02 1.61 1.51 -1.22 -4.90 117.35 116.20 1kmm s TYR 38 Ca 0.00 1.72 -0.02 0.00 -1.01 0.00 0.00 57.07 57.77 1kmm s TYR 38 Cb 0.00 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 1kmm s TYR 38 CO 0.00 0.35 0.12 -1.12 -1.11 0.00 0.00 175.55 173.79 1kmm s SER 39 N -0.56 5.96 0.27 2.29 0.01 0.64 -4.60 113.70 117.71 1kmm s SER 39 Ca 0.41 0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.63 1kmm s SER 39 Cb -0.23 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 64.11 1kmm s SER 39 CO 0.28 0.29 0.96 -0.70 0.41 0.00 0.00 173.24 174.48 1kmm s GLU 40 N -1.70 4.74 0.01 12.44 2.12 -1.26 -1.35 118.70 133.70 1kmm s GLU 40 Ca 0.23 1.47 0.05 0.00 0.36 0.00 0.00 54.97 57.08 1kmm s GLU 40 Cb -0.12 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1kmm s GLU 40 CO 0.14 0.40 -0.14 -1.50 -0.54 0.00 0.00 175.26 173.62 1kmm s ILE 41 N -1.32 1.12 -0.12 -3.70 2.07 0.11 -4.86 121.20 114.51 1kmm s ILE 41 Ca 0.44 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1kmm s ILE 41 Cb -0.24 -0.97 -0.00 0.00 0.13 0.00 0.00 42.46 41.37 1kmm s ILE 41 CO 0.30 0.18 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.19 1kmm s ARG 42 N -0.69 3.18 0.11 3.50 0.52 -1.26 -4.43 118.95 119.88 1kmm s ARG 42 Ca 0.04 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.55 1kmm s ARG 42 Cb -0.06 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1kmm s ARG 42 CO 0.00 0.15 -0.23 -0.51 0.02 0.00 0.00 175.30 174.73 1kmm s LEU 43 N 0.45 2.30 0.47 2.53 1.43 -1.26 -5.13 118.68 119.48 1kmm s LEU 43 Ca -0.13 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.03 1kmm s LEU 43 Cb -0.17 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.94 1kmm s LEU 43 CO 0.06 0.12 1.16 -2.65 0.23 0.00 0.00 176.35 175.26 1kmm n PRO 44 N 1.07 1.56 0.16 1.29 -0.02 -1.26 -4.95 135.00 132.85 1kmm n PRO 44 Ca -0.19 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1kmm n PRO 44 Cb 0.53 -2.28 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 1kmm n PRO 44 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1kmm h ILE 45 N 1.56 0.93 -4.09 4.25 2.04 -1.97 -3.45 117.51 116.79 1kmm h ILE 45 Ca -0.48 -1.96 -0.69 0.00 1.00 0.00 0.00 64.86 62.74 1kmm h ILE 45 Cb 1.32 2.21 -0.24 0.00 -0.74 0.00 0.00 36.82 39.37 1kmm h ILE 45 CO 0.57 0.46 -0.81 0.68 0.00 0.00 0.00 178.15 179.05 1kmm s VAL 46 N -3.26 2.70 0.09 1.67 -7.23 -1.26 -1.60 120.40 111.51 1kmm s VAL 46 Ca 0.02 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1kmm s VAL 46 Cb 0.09 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1kmm s VAL 46 CO 0.72 0.42 0.08 -1.61 -0.31 0.00 0.00 175.10 174.40 1kmm s GLU 47 N -1.18 0.81 0.20 4.82 0.41 -0.69 -4.96 118.70 118.11 1kmm s GLU 47 Ca 0.13 -1.20 -0.32 0.00 -0.41 0.00 0.00 54.97 53.17 1kmm s GLU 47 Cb -0.10 0.27 -0.13 0.00 -1.78 0.00 0.00 34.13 32.39 1kmm s GLU 47 CO 0.03 -0.22 1.61 1.04 -0.49 0.00 0.00 175.26 177.23 1kmm n GLN 48 N -0.02 2.42 -0.23 1.61 1.13 -1.26 -0.55 117.38 120.48 1kmm n GLN 48 Ca -0.11 0.87 0.18 0.00 -1.94 0.00 0.00 57.00 56.00 1kmm n GLN 48 Cb 0.62 -2.66 0.51 0.00 0.11 0.00 0.00 30.24 28.82 1kmm n GLN 48 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kmm h THR 49 N 3.58 0.70 0.00 5.09 2.02 -1.70 -1.67 112.91 120.94 1kmm h THR 49 Ca -0.44 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1kmm h THR 49 Cb 1.23 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1kmm h THR 49 CO 0.89 0.08 -0.00 1.55 0.37 0.00 0.00 175.52 178.40 1kmm h PRO 50 N 0.41 0.00 -0.01 6.66 0.13 -1.89 -2.11 132.00 135.19 1kmm h PRO 50 Ca 0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1kmm h PRO 50 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kmm h PRO 50 CO -0.17 0.00 -0.00 1.25 -0.23 0.00 0.00 178.00 178.85 1kmm h LEU 51 N 0.00 0.01 -0.76 1.56 5.85 -1.67 0.36 115.31 120.66 1kmm h LEU 51 Ca -0.00 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 1kmm h LEU 51 Cb 0.08 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1kmm h LEU 51 CO 0.00 0.39 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.21 1kmm h PHE 52 N -0.36 1.00 -0.04 1.25 0.04 -1.61 0.38 116.94 117.60 1kmm h PHE 52 Ca 0.00 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1kmm h PHE 52 Cb 0.38 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1kmm h PHE 52 CO 0.06 0.91 0.01 0.87 -0.60 0.00 0.00 178.31 179.56 1kmm h LYS 53 N 0.85 0.06 0.12 1.51 1.57 -1.32 -0.40 116.57 118.96 1kmm h LYS 53 Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1kmm h LYS 53 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1kmm h LYS 53 CO 0.03 0.22 -0.06 0.00 -0.57 0.00 0.00 179.45 179.07 1kmm h ARG 54 N -0.12 -0.16 0.25 3.15 3.08 -0.01 -2.85 114.38 117.72 1kmm h ARG 54 Ca 0.01 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1kmm h ARG 54 Cb 0.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1kmm h ARG 54 CO -0.00 0.01 -0.12 0.00 -1.07 0.00 0.00 179.97 178.79 1kmm h ALA 55 N 0.55 -0.34 0.00 0.04 0.00 -0.26 -3.35 119.26 115.91 1kmm h ALA 55 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1kmm h ALA 55 Cb 0.25 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1kmm h ALA 55 CO 0.03 -0.45 -0.07 0.82 0.00 0.00 0.00 179.25 179.58 1kmm h ILE 56 N -0.81 0.13 0.00 0.00 2.04 -1.21 -3.37 117.51 114.29 1kmm h ILE 56 Ca -0.03 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1kmm h ILE 56 Cb 0.51 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1kmm h ILE 56 CO 0.06 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.88 1kmm n GLY 57 N 0.66 2.17 0.27 5.37 0.00 -1.07 -2.04 105.19 110.54 1kmm n GLY 57 Ca 0.02 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1kmm n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kmm h GLU 58 N 0.00 0.94 -2.10 1.61 4.39 -1.91 -3.28 114.58 114.23 1kmm h GLU 58 Ca 0.00 -0.42 -0.72 0.00 0.34 0.00 0.00 59.36 58.56 1kmm h GLU 58 Cb 0.00 -0.02 -0.24 0.00 -0.10 0.00 0.00 28.75 28.39 1kmm h GLU 58 CO 0.00 1.08 1.02 1.55 -1.16 0.00 0.00 179.01 181.51 1kmm n VAL 59 N -4.14 4.17 -4.41 3.13 3.14 -1.26 -4.39 118.33 114.56 1kmm n VAL 59 Ca -0.01 -4.36 -0.28 0.00 -2.96 0.00 0.00 64.34 56.74 1kmm n VAL 59 Cb 0.47 -1.44 -0.12 0.00 -1.06 0.00 0.00 33.84 31.68 1kmm n VAL 59 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1kmm s THR 60 N -4.02 2.32 0.33 1.55 -1.32 -1.24 -5.03 115.64 108.24 1kmm s THR 60 Ca 0.51 -1.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.06 1kmm s THR 60 Cb 0.36 -2.08 0.27 0.00 -1.51 0.00 0.00 72.50 69.54 1kmm s THR 60 CO -0.29 -0.05 1.98 0.44 -2.21 0.00 0.00 174.62 174.48 1kmm h ASP 61 N 3.42 0.79 0.65 8.08 3.32 -1.91 -0.76 116.42 130.01 1kmm h ASP 61 Ca -0.48 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1kmm h ASP 61 Cb 1.20 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.57 1kmm h ASP 61 CO 0.45 0.55 -0.31 0.58 -1.72 0.00 0.00 179.24 178.79 1kmm h VAL 62 N 0.92 0.35 -0.47 -1.35 2.07 -1.94 -1.81 116.25 114.02 1kmm h VAL 62 Ca 0.29 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 1kmm h VAL 62 Cb 0.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1kmm h VAL 62 CO -0.08 0.01 0.05 0.58 0.02 0.00 0.00 177.57 178.15 1kmm h VAL 63 N -0.91 1.25 0.07 2.57 2.07 -1.81 -0.35 116.25 119.15 1kmm h VAL 63 Ca -0.09 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1kmm h VAL 63 Cb 0.68 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1kmm h VAL 63 CO 0.15 0.34 -0.11 -0.33 0.02 0.00 0.00 177.57 177.63 1kmm h GLU 64 N 0.66 -0.22 0.00 1.57 5.08 -1.11 -3.40 114.58 117.16 1kmm h GLU 64 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1kmm h GLU 64 Cb 0.43 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1kmm h GLU 64 CO 0.01 -0.15 -0.04 0.36 -1.00 0.00 0.00 179.01 178.20 1kmm n LYS 65 N -5.23 0.47 -0.00 2.33 0.00 -0.69 -4.92 118.16 110.11 1kmm n LYS 65 Ca -0.07 -0.72 0.02 0.00 -0.00 0.00 0.00 58.31 57.54 1kmm n LYS 65 Cb 0.16 -0.59 -0.03 0.00 -0.00 0.00 0.00 35.03 34.56 1kmm n LYS 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1kmm n GLU 66 N -0.10 0.61 -2.02 -1.58 1.02 -0.17 -4.75 120.64 113.64 1kmm n GLU 66 Ca 0.00 -0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.74 1kmm n GLU 66 Cb 0.48 -1.11 0.03 0.00 -0.02 0.00 0.00 31.44 30.82 1kmm n GLU 66 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1kmm s MET 67 N -2.28 3.14 -0.94 3.49 -1.94 -1.02 0.24 119.30 120.00 1kmm s MET 67 Ca -0.02 1.88 -0.09 0.00 -1.71 0.00 0.00 55.69 55.76 1kmm s MET 67 Cb 0.03 -2.07 0.24 0.00 2.01 0.00 0.00 34.83 35.04 1kmm s MET 67 CO 0.18 -1.08 0.88 0.71 -0.01 0.00 0.00 175.02 175.70 1kmm s TYR 68 N -1.54 3.96 0.46 -0.03 1.51 -1.26 -4.79 117.35 115.67 1kmm s TYR 68 Ca 0.74 -2.52 -0.01 0.00 -1.01 0.00 0.00 57.07 54.27 1kmm s TYR 68 Cb -0.32 -3.67 -0.01 0.00 -0.11 0.00 0.00 41.96 37.85 1kmm s TYR 68 CO 0.36 -0.92 0.69 0.99 -1.11 0.00 0.00 175.55 175.56 1kmm s THR 69 N -0.70 4.11 -0.10 -0.71 2.01 -1.26 -2.46 115.64 116.53 1kmm s THR 69 Ca 0.25 -0.40 -0.33 0.00 0.31 0.00 0.00 61.69 61.52 1kmm s THR 69 Cb -0.11 -3.53 0.14 0.00 0.01 0.00 0.00 72.50 69.01 1kmm s THR 69 CO -0.09 -0.40 1.35 0.72 -0.69 0.00 0.00 174.62 175.51 1kmm s PHE 70 N -2.59 -0.03 -0.03 4.92 -0.71 -0.16 -4.98 117.98 114.40 1kmm s PHE 70 Ca 0.48 -0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 56.32 1kmm s PHE 70 Cb -0.10 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1kmm s PHE 70 CO 0.39 -0.14 0.18 -1.21 -1.34 0.00 0.00 175.22 173.10 1kmm s GLU 71 N -2.23 3.46 0.57 1.99 2.02 -1.26 -0.33 118.70 122.91 1kmm s GLU 71 Ca 0.14 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 1kmm s GLU 71 Cb 0.04 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 31.17 1kmm s GLU 71 CO -0.05 0.70 0.85 0.34 0.02 0.00 0.00 175.26 177.12 1kmm s ASP 72 N -1.71 5.57 0.55 -0.19 2.15 0.14 -4.92 116.67 118.26 1kmm s ASP 72 Ca 0.25 0.57 0.27 0.00 0.43 0.00 0.00 52.55 54.06 1kmm s ASP 72 Cb -0.13 -1.58 1.46 0.00 -0.30 0.00 0.00 42.92 42.37 1kmm s ASP 72 CO 0.15 -1.03 1.99 0.03 -0.17 0.00 0.00 175.17 176.14 1kmm h ARG 73 N -0.07 0.00 -0.60 4.34 3.08 -1.99 -1.00 114.38 118.14 1kmm h ARG 73 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1kmm h ARG 73 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1kmm h ARG 73 CO 0.59 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.76 1kmm n ASN 74 N -4.13 3.40 0.00 7.04 6.94 -1.26 -4.91 115.26 122.34 1kmm n ASN 74 Ca 0.08 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1kmm n ASN 74 Cb 0.59 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1kmm n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kmm n GLY 75 N 0.92 3.24 3.75 4.83 0.00 -0.38 -5.04 105.19 112.52 1kmm n GLY 75 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1kmm n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kmm n ASP 76 N 0.07 3.04 -4.65 1.61 8.00 -1.26 -4.59 116.55 118.76 1kmm n ASP 76 Ca 0.00 1.09 -0.40 0.00 0.71 0.00 0.00 54.79 56.19 1kmm n ASP 76 Cb 0.00 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.46 1kmm n ASP 76 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1kmm s SER 77 N -0.57 6.61 -0.05 -2.24 0.15 -1.26 0.25 113.70 116.58 1kmm s SER 77 Ca 0.63 0.73 0.04 0.00 0.70 0.00 0.00 55.95 58.06 1kmm s SER 77 Cb -0.45 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 1kmm s SER 77 CO 0.56 -0.26 -0.16 -0.76 1.20 0.00 0.00 173.24 173.82 1kmm s LEU 78 N 1.95 2.63 -0.08 3.45 1.02 0.55 -1.97 118.68 126.24 1kmm s LEU 78 Ca 0.26 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.18 1kmm s LEU 78 Cb -0.16 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1kmm s LEU 78 CO 0.10 0.33 -0.10 -0.89 0.02 0.00 0.00 176.35 175.81 1kmm s THR 79 N -0.67 1.03 0.11 5.49 2.01 0.29 -0.98 115.64 122.92 1kmm s THR 79 Ca 0.10 -0.37 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 1kmm s THR 79 Cb -0.11 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 1kmm s THR 79 CO 0.01 0.34 1.44 -0.76 -0.69 0.00 0.00 174.62 174.96 1kmm s LEU 80 N 1.03 4.37 0.31 4.42 1.02 -1.03 -1.70 118.68 127.10 1kmm s LEU 80 Ca -0.08 2.37 -0.29 0.00 0.02 0.00 0.00 54.13 56.15 1kmm s LEU 80 Cb -0.15 -3.58 -0.12 0.00 0.02 0.00 0.00 46.19 42.36 1kmm s LEU 80 CO -0.01 -0.70 1.47 -2.11 0.02 0.00 0.00 176.35 175.02 1kmm n ARG 81 N 4.18 2.43 0.01 1.70 1.85 -0.63 -4.37 116.66 121.84 1kmm n ARG 81 Ca 0.12 0.86 0.11 0.00 -1.00 0.00 0.00 57.85 57.94 1kmm n ARG 81 Cb 0.42 -2.56 -0.06 0.00 -1.05 0.00 0.00 32.46 29.20 1kmm n ARG 81 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1kmm n PRO 82 N 1.46 0.30 -3.70 2.89 -0.04 -1.25 0.85 135.00 135.51 1kmm n PRO 82 Ca 0.07 -0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1kmm n PRO 82 Cb 0.36 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1kmm n PRO 82 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1kmm n GLU 83 N -1.92 0.91 -0.00 0.54 -0.00 -1.26 -4.52 120.64 114.38 1kmm n GLU 83 Ca 0.01 -2.32 0.02 0.00 -0.00 0.00 0.00 57.16 54.87 1kmm n GLU 83 Cb 0.44 2.59 -0.03 0.00 -0.00 0.00 0.00 31.44 34.45 1kmm n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kmm n GLY 84 N -0.52 0.03 0.35 -1.84 0.00 -1.26 -4.70 105.19 97.25 1kmm n GLY 84 Ca -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1kmm n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kmm h THR 85 N 0.00 1.08 -0.15 2.61 2.02 -1.98 -0.74 112.91 115.75 1kmm h THR 85 Ca 0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1kmm h THR 85 Cb 0.15 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1kmm h THR 85 CO 0.00 0.16 0.01 0.00 0.37 0.00 0.00 175.52 176.06 1kmm h ALA 86 N 1.57 0.19 -0.55 6.16 0.00 -1.97 -0.03 119.26 124.64 1kmm h ALA 86 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1kmm h ALA 86 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1kmm h ALA 86 CO -0.10 -0.12 0.12 0.78 0.00 0.00 0.00 179.25 179.94 1kmm h GLY 87 N 0.00 0.91 0.84 0.00 0.00 -1.76 -0.28 103.07 102.78 1kmm h GLY 87 Ca 0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1kmm h GLY 87 CO 0.01 0.50 -0.16 0.00 0.00 0.00 0.00 176.54 176.88 1kmm h VAL 89 N -0.62 1.11 -0.04 0.00 2.07 -0.70 -1.18 116.25 116.90 1kmm h VAL 89 Ca -0.05 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1kmm h VAL 89 Cb 0.45 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1kmm h VAL 89 CO 0.08 0.20 0.02 -0.09 0.02 0.00 0.00 177.57 177.79 1kmm h ARG 90 N 1.07 0.05 -0.17 1.57 2.43 -0.90 -0.66 114.38 117.77 1kmm h ARG 90 Ca 0.36 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1kmm h ARG 90 Cb 0.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1kmm h ARG 90 CO -0.14 0.05 -0.06 0.00 -1.51 0.00 0.00 179.97 178.31 1kmm h ALA 91 N 1.00 1.59 -0.23 2.80 0.00 -0.61 -1.10 119.26 122.71 1kmm h ALA 91 Ca 0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1kmm h ALA 91 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kmm h ALA 91 CO -0.00 0.30 -0.31 0.78 0.00 0.00 0.00 179.25 180.02 1kmm h GLY 92 N 0.63 0.67 0.86 0.00 0.00 -0.63 -2.35 103.07 102.25 1kmm h GLY 92 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 1kmm h GLY 92 CO 0.01 0.66 -0.06 -2.22 0.00 0.00 0.00 176.54 174.93 1kmm h ILE 93 N 0.31 1.28 -0.14 2.60 2.04 -0.98 -0.48 117.51 122.13 1kmm h ILE 93 Ca 0.03 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1kmm h ILE 93 Cb 0.89 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1kmm h ILE 93 CO 0.07 0.33 0.13 -0.08 0.00 0.00 0.00 178.15 178.60 1kmm h GLU 94 N 0.26 0.00 -0.25 2.37 4.81 -1.14 -1.89 114.58 118.74 1kmm h GLU 94 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1kmm h GLU 94 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1kmm h GLU 94 CO 0.02 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.02 1kmm n HIS 95 N -4.11 0.33 -3.48 0.92 8.25 -0.89 -4.99 115.22 111.24 1kmm n HIS 95 Ca 0.00 -0.46 -0.20 0.00 -0.26 0.00 0.00 57.72 56.81 1kmm n HIS 95 Cb 0.25 -0.03 0.09 0.00 1.12 0.00 0.00 29.99 31.41 1kmm n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kmm n GLY 96 N 0.31 -0.42 0.33 -1.41 0.00 -0.71 -4.92 105.19 98.37 1kmm n GLY 96 Ca 0.09 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1kmm n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kmm n LEU 97 N -4.44 1.55 -0.04 0.99 4.77 -0.23 -4.60 117.00 115.01 1kmm n LEU 97 Ca -0.17 -0.56 -0.03 0.00 -0.03 0.00 0.00 56.01 55.22 1kmm n LEU 97 Cb 0.63 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1kmm n LEU 97 CO 0.62 0.30 -0.77 0.18 -1.33 0.00 0.00 177.39 176.39 1kmm n LEU 98 N -0.49 0.00 -4.65 2.23 4.77 -1.25 -4.68 117.00 112.94 1kmm n LEU 98 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1kmm n LEU 98 Cb 0.41 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1kmm n LEU 98 CO 0.31 0.18 1.67 0.00 -1.33 0.00 0.00 177.39 178.22 1kmm n TYR 99 N -2.24 2.39 -2.90 -1.77 9.36 -1.26 -2.19 117.16 118.54 1kmm n TYR 99 Ca -0.12 -0.33 -0.19 0.00 3.32 0.00 0.00 57.90 60.58 1kmm n TYR 99 Cb 0.69 -2.79 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1kmm n TYR 99 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1kmm n ASN 100 N 8.54 -4.37 -4.24 2.98 4.13 -1.26 -4.95 115.26 116.09 1kmm n ASN 100 Ca 0.22 -0.13 -0.14 0.00 1.68 0.00 0.00 54.58 56.21 1kmm n ASN 100 Cb 0.42 -3.63 -0.10 0.00 -1.54 0.00 0.00 39.78 34.93 1kmm n ASN 100 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1kmm s GLN 101 N -5.54 1.09 -0.01 3.52 -0.21 -0.93 -5.16 119.66 112.43 1kmm s GLN 101 Ca 0.21 -1.51 0.08 0.00 0.02 0.00 0.00 55.36 54.16 1kmm s GLN 101 Cb -0.11 -0.33 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 1kmm s GLN 101 CO 0.26 -0.09 -0.25 -2.00 -2.12 0.00 0.00 175.29 171.09 1kmm s GLU 102 N -3.88 2.08 0.00 2.91 2.12 -1.26 -4.24 118.70 116.43 1kmm s GLU 102 Ca 0.22 -0.95 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 1kmm s GLU 102 Cb 0.06 -2.06 -0.00 0.00 0.26 0.00 0.00 34.13 32.38 1kmm s GLU 102 CO 0.03 0.56 0.07 -0.65 -0.54 0.00 0.00 175.26 174.73 1kmm s GLN 103 N -0.78 0.35 -0.36 4.30 -1.52 -0.98 -4.97 119.66 115.69 1kmm s GLN 103 Ca 0.11 -0.36 0.01 0.00 -1.95 0.00 0.00 55.36 53.16 1kmm s GLN 103 Cb -0.10 0.14 0.14 0.00 -0.22 0.00 0.00 33.01 32.97 1kmm s GLN 103 CO -0.00 -0.07 0.23 1.03 -0.25 0.00 0.00 175.29 176.23 1kmm s ARG 104 N -1.11 0.64 0.31 2.91 0.52 -1.26 -2.25 118.95 118.71 1kmm s ARG 104 Ca -0.12 -1.46 0.08 0.00 -0.52 0.00 0.00 55.73 53.71 1kmm s ARG 104 Cb -0.07 -1.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1kmm s ARG 104 CO 0.00 -1.23 0.21 -0.51 0.02 0.00 0.00 175.30 173.80 1kmm s LEU 105 N 0.91 3.56 0.09 2.53 1.43 -0.33 -0.26 118.68 126.61 1kmm s LEU 105 Ca 0.20 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1kmm s LEU 105 Cb -0.20 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1kmm s LEU 105 CO -0.01 -0.22 0.27 -1.66 0.23 0.00 0.00 176.35 174.95 1kmm s TRP 106 N -2.28 0.01 0.06 0.29 1.48 -0.46 -1.72 118.94 116.31 1kmm s TRP 106 Ca 0.37 -0.36 -0.21 0.00 -1.06 0.00 0.00 56.10 54.84 1kmm s TRP 106 Cb -0.06 0.06 0.05 0.00 -1.16 0.00 0.00 33.47 32.36 1kmm s TRP 106 CO 0.25 -0.58 0.49 1.52 -4.06 0.00 0.00 176.95 174.56 1kmm s TYR 107 N -3.63 -0.38 -0.01 1.66 -0.85 -0.48 -0.71 117.35 112.96 1kmm s TYR 107 Ca 0.03 0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.96 1kmm s TYR 107 Cb 0.03 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.69 1kmm s TYR 107 CO -0.10 -0.64 -0.04 -1.50 -1.52 0.00 0.00 175.55 171.75 1kmm s ILE 108 N -2.60 0.33 -1.87 -3.49 2.07 -1.26 -0.47 121.20 113.92 1kmm s ILE 108 Ca -0.04 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1kmm s ILE 108 Cb -0.01 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.29 1kmm s ILE 108 CO -0.03 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1kmm n GLY 109 N 3.08 -1.28 3.91 1.50 0.00 -0.63 -5.00 105.19 106.76 1kmm n GLY 109 Ca -0.14 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1kmm n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kmm s PRO 110 N -0.75 3.62 0.00 1.61 0.02 -1.26 -0.98 135.00 137.26 1kmm s PRO 110 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 61.00 61.04 1kmm s PRO 110 Cb 0.00 -2.60 -0.00 0.00 0.02 0.00 0.00 34.50 31.91 1kmm s PRO 110 CO 0.00 0.15 -0.02 -1.64 -0.33 0.00 0.00 177.00 175.16 1kmm s MET 111 N -3.78 0.17 -0.15 5.54 -1.94 0.28 -4.85 119.30 114.56 1kmm s MET 111 Ca 0.44 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1kmm s MET 111 Cb -0.10 -0.11 -0.00 0.00 2.01 0.00 0.00 34.83 36.62 1kmm s MET 111 CO 0.32 0.03 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.15 1kmm s PHE 112 N -0.27 2.78 -0.02 -0.03 0.40 0.25 -1.75 117.98 119.34 1kmm s PHE 112 Ca -0.02 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.33 1kmm s PHE 112 Cb -0.02 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1kmm s PHE 112 CO -0.00 -0.44 0.01 1.03 0.70 0.00 0.00 175.22 176.52 1kmm s ARG 113 N 0.75 0.07 -1.09 0.44 0.52 0.05 -3.76 118.95 115.93 1kmm s ARG 113 Ca -0.06 0.09 -0.17 0.00 -0.52 0.00 0.00 55.73 55.07 1kmm s ARG 113 Cb -0.15 -0.24 0.14 0.00 0.52 0.00 0.00 34.95 35.21 1kmm s ARG 113 CO 0.01 -0.10 1.34 -1.58 0.02 0.00 0.00 175.30 174.99 1kmm s HIS 114 N 0.69 3.20 0.32 -0.53 5.65 0.14 -4.13 115.29 120.61 1kmm s HIS 114 Ca -0.06 -1.67 0.06 0.00 0.25 0.00 0.00 55.06 53.63 1kmm s HIS 114 Cb -0.09 -4.37 -0.06 0.00 -1.18 0.00 0.00 32.58 26.88 1kmm s HIS 114 CO -0.02 -1.52 -0.02 -1.21 -0.65 0.00 0.00 174.74 171.33 1kmm s GLU 115 N 2.56 1.65 -0.18 2.88 2.02 -1.26 -4.51 118.70 121.86 1kmm s GLU 115 Ca 0.40 -1.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1kmm s GLU 115 Cb -0.03 -1.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 1kmm s GLU 115 CO -0.04 -0.04 1.18 0.50 0.02 0.00 0.00 175.26 176.88 1kmm s ARG 116 N -3.77 4.25 0.24 1.61 3.52 -1.26 -4.78 118.95 118.76 1kmm s ARG 116 Ca 0.33 1.55 -0.31 0.00 -0.13 0.00 0.00 55.73 57.16 1kmm s ARG 116 Cb 0.06 -3.71 -0.12 0.00 -1.56 0.00 0.00 34.95 29.62 1kmm s ARG 116 CO 0.14 -0.66 1.65 -0.35 -0.81 0.00 0.00 175.30 175.28 1kmm n PRO 117 N 6.41 2.67 -2.98 5.12 -0.04 -1.26 -4.84 135.00 140.08 1kmm n PRO 117 Ca 0.13 0.96 -0.10 0.00 -0.04 0.00 0.00 63.50 64.45 1kmm n PRO 117 Cb 0.45 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 1kmm n PRO 117 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kmm n GLN 118 N 3.20 0.55 -0.20 0.54 1.13 -0.80 -4.97 117.38 116.83 1kmm n GLN 118 Ca 0.13 -1.42 0.00 0.00 -1.94 0.00 0.00 57.00 53.77 1kmm n GLN 118 Cb 0.35 0.92 0.09 0.00 0.11 0.00 0.00 30.24 31.71 1kmm n GLN 118 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1kmm h LYS 119 N 0.00 0.12 -0.27 -1.09 1.63 -1.97 -2.76 116.57 112.23 1kmm h LYS 119 Ca -0.12 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1kmm h LYS 119 Cb 0.50 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1kmm h LYS 119 CO 0.18 0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1kmm n GLY 120 N -1.36 1.90 3.39 5.01 0.00 -1.26 -4.97 105.19 107.90 1kmm n GLY 120 Ca 0.08 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1kmm n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kmm s ARG 121 N -0.99 3.37 0.28 1.61 0.52 -1.04 -4.67 118.95 118.03 1kmm s ARG 121 Ca 0.21 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1kmm s ARG 121 Cb 0.12 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1kmm s ARG 121 CO 0.16 0.24 0.12 0.71 0.02 0.00 0.00 175.30 176.54 1kmm s TYR 122 N 0.30 1.57 -0.05 -0.53 2.02 -1.26 -1.91 117.35 117.49 1kmm s TYR 122 Ca -0.10 -1.25 0.07 0.00 -0.37 0.00 0.00 57.07 55.42 1kmm s TYR 122 Cb -0.16 -0.90 -0.24 0.00 -0.40 0.00 0.00 41.96 40.27 1kmm s TYR 122 CO 0.05 -0.40 0.64 0.00 -1.57 0.00 0.00 175.55 174.28 1kmm h ARG 123 N 2.30 0.08 -4.78 -0.62 3.08 0.49 -3.42 114.38 111.51 1kmm h ARG 123 Ca -0.37 -0.14 -0.68 0.00 0.07 0.00 0.00 59.98 58.87 1kmm h ARG 123 Cb 1.25 0.05 -0.35 0.00 0.08 0.00 0.00 29.97 31.00 1kmm h ARG 123 CO 0.58 0.73 -0.73 -1.14 -1.07 0.00 0.00 179.97 178.34 1kmm s GLN 124 N -2.60 2.23 0.36 0.04 0.74 -1.10 -0.77 119.66 118.56 1kmm s GLN 124 Ca -0.09 -1.40 0.06 0.00 0.05 0.00 0.00 55.36 53.98 1kmm s GLN 124 Cb 0.08 -3.10 -0.07 0.00 1.10 0.00 0.00 33.01 31.01 1kmm s GLN 124 CO 0.81 -0.67 0.02 -0.59 -0.55 0.00 0.00 175.29 174.32 1kmm s PHE 125 N 1.15 2.24 -0.04 1.67 -0.71 -0.72 -4.66 117.98 116.91 1kmm s PHE 125 Ca -0.04 -0.78 0.06 0.00 -1.04 0.00 0.00 56.93 55.13 1kmm s PHE 125 Cb -0.20 -1.50 -0.01 0.00 -1.21 0.00 0.00 43.02 40.10 1kmm s PHE 125 CO -0.03 0.27 -0.23 -1.01 -1.34 0.00 0.00 175.22 172.87 1kmm s HIS 126 N -2.96 2.21 0.15 3.49 3.76 -1.26 -0.56 115.29 120.11 1kmm s HIS 126 Ca 0.35 -0.59 0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1kmm s HIS 126 Cb 0.09 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 1kmm s HIS 126 CO 0.16 -0.15 -0.25 -0.65 -0.85 0.00 0.00 174.74 173.00 1kmm s GLN 127 N -0.24 1.40 -0.22 1.40 -0.21 -0.15 -1.46 119.66 120.18 1kmm s GLN 127 Ca 0.00 -1.39 0.02 0.00 0.02 0.00 0.00 55.36 54.01 1kmm s GLN 127 Cb -0.12 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.13 1kmm s GLN 127 CO 0.02 0.41 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.28 1kmm s LEU 128 N -2.26 2.70 0.32 2.90 1.98 -0.69 -1.61 118.68 122.01 1kmm s LEU 128 Ca 0.15 -0.99 0.08 0.00 -2.89 0.00 0.00 54.13 50.48 1kmm s LEU 128 Cb -0.09 -1.49 -0.06 0.00 0.66 0.00 0.00 46.19 45.21 1kmm s LEU 128 CO 0.07 -0.09 -0.06 -0.83 -1.89 0.00 0.00 176.35 173.55 1kmm s GLY 129 N 1.22 2.05 -0.02 7.98 0.00 0.38 -1.17 107.32 117.77 1kmm s GLY 129 Ca -0.01 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 42.69 1kmm s GLY 129 CO -0.09 -1.94 -0.04 0.00 0.00 0.00 0.00 173.10 171.04 1kmm s GLU 131 N 0.39 0.04 -0.16 0.00 0.41 -0.70 -1.00 118.70 117.68 1kmm s GLU 131 Ca -0.04 0.17 0.01 0.00 -0.41 0.00 0.00 54.97 54.70 1kmm s GLU 131 Cb -0.08 -0.32 0.02 0.00 -1.78 0.00 0.00 34.13 31.98 1kmm s GLU 131 CO -0.00 -0.17 -0.15 0.08 -0.49 0.00 0.00 175.26 174.52 1kmm s VAL 132 N 1.12 1.70 -0.04 2.63 1.01 -0.48 -1.18 120.40 125.17 1kmm s VAL 132 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1kmm s VAL 132 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1kmm s VAL 132 CO -0.03 0.44 -0.01 -0.36 0.00 0.00 0.00 175.10 175.15 1kmm s PHE 133 N 1.43 3.09 0.00 5.22 0.40 -0.95 -2.37 117.98 124.79 1kmm s PHE 133 Ca 0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1kmm s PHE 133 Cb -0.13 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.69 1kmm s PHE 133 CO -0.11 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.67 1kmm n GLY 134 N 1.72 1.02 3.51 4.36 0.00 0.73 -2.33 105.19 114.19 1kmm n GLY 134 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1kmm n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kmm s LEU 135 N 0.00 3.35 0.00 0.99 1.43 -1.26 -4.73 118.68 118.46 1kmm s LEU 135 Ca 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1kmm s LEU 135 Cb 0.00 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1kmm s LEU 135 CO 0.00 0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.72 1kmm n GLN 136 N 3.75 0.00 -0.83 1.70 6.02 -1.26 -4.46 117.38 122.30 1kmm n GLN 136 Ca -0.17 0.18 -0.32 0.00 -0.01 0.00 0.00 57.00 56.69 1kmm n GLN 136 Cb 0.52 -0.64 0.03 0.00 1.02 0.00 0.00 30.24 31.17 1kmm n GLN 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kmm n GLY 137 N 1.86 -3.02 0.08 1.08 0.00 -1.26 -4.82 105.19 99.11 1kmm n GLY 137 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1kmm n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kmm n PRO 138 N 2.08 0.12 0.14 1.61 -0.04 -1.26 -3.85 135.00 133.80 1kmm n PRO 138 Ca -0.02 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1kmm n PRO 138 Cb 0.57 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1kmm n PRO 138 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1kmm h ASP 139 N 0.00 -0.70 0.26 3.54 3.04 -1.94 -0.73 116.42 119.88 1kmm h ASP 139 Ca 0.00 0.07 -0.04 0.00 -3.24 0.00 0.00 57.03 53.82 1kmm h ASP 139 Cb 0.29 0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.83 1kmm h ASP 139 CO 0.00 -0.36 -0.19 -0.29 -2.04 0.00 0.00 179.24 176.36 1kmm h ILE 140 N -0.50 1.00 -0.18 4.15 6.09 -1.92 -0.56 117.51 125.58 1kmm h ILE 140 Ca 0.01 -0.69 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 1kmm h ILE 140 Cb 0.49 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1kmm h ILE 140 CO -0.10 0.19 0.05 0.44 -3.07 0.00 0.00 178.15 175.66 1kmm h ASP 141 N 0.00 0.28 -0.80 2.19 5.19 -1.68 -1.37 116.42 120.22 1kmm h ASP 141 Ca -0.00 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1kmm h ASP 141 Cb 0.37 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1kmm h ASP 141 CO 0.02 0.42 0.45 0.00 -3.12 0.00 0.00 179.24 177.02 1kmm h ALA 142 N 0.86 1.28 -0.38 3.45 0.00 -0.39 -2.31 119.26 121.77 1kmm h ALA 142 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kmm h ALA 142 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1kmm h ALA 142 CO -0.00 0.60 0.21 1.49 0.00 0.00 0.00 179.25 181.55 1kmm h GLU 143 N 1.13 0.41 -0.97 0.00 4.81 -0.43 -0.89 114.58 118.64 1kmm h GLU 143 Ca 0.29 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1kmm h GLU 143 Cb 0.01 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1kmm h GLU 143 CO -0.05 0.27 0.63 -0.07 -0.73 0.00 0.00 179.01 179.06 1kmm h LEU 144 N 0.43 1.13 -0.90 1.64 3.38 -0.88 0.88 115.31 120.98 1kmm h LEU 144 Ca 0.15 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1kmm h LEU 144 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1kmm h LEU 144 CO -0.08 0.83 -0.17 0.40 0.09 0.00 0.00 178.44 179.50 1kmm h ILE 145 N 1.32 1.26 -0.29 1.22 2.04 -0.88 -2.21 117.51 119.97 1kmm h ILE 145 Ca 0.35 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 1kmm h ILE 145 Cb -0.13 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1kmm h ILE 145 CO -0.07 0.39 -0.37 0.24 0.00 0.00 0.00 178.15 178.34 1kmm h MET 146 N 0.55 0.67 -0.17 2.37 2.86 -0.10 -2.02 114.93 119.09 1kmm h MET 146 Ca 0.09 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1kmm h MET 146 Cb 0.61 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1kmm h MET 146 CO 0.04 0.93 -0.06 1.25 1.06 0.00 0.00 176.91 180.13 1kmm h LEU 147 N 0.56 -0.22 -0.56 1.22 6.46 -0.48 -0.60 115.31 121.68 1kmm h LEU 147 Ca 0.05 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1kmm h LEU 147 Cb 0.89 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1kmm h LEU 147 CO 0.08 -0.08 0.22 0.71 -0.62 0.00 0.00 178.44 178.74 1kmm h THR 148 N -0.03 1.22 -0.78 1.05 1.35 -1.27 -2.51 112.91 111.95 1kmm h THR 148 Ca 0.09 -0.70 0.07 0.00 -0.55 0.00 0.00 66.41 65.31 1kmm h THR 148 Cb 0.17 0.63 -0.05 0.00 -1.73 0.00 0.00 68.15 67.17 1kmm h THR 148 CO -0.19 0.27 0.51 0.00 -0.25 0.00 0.00 175.52 175.86 1kmm h ALA 149 N 1.07 1.67 -0.55 6.62 0.00 -0.61 0.14 119.26 127.60 1kmm h ALA 149 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1kmm h ALA 149 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kmm h ALA 149 CO -0.01 0.20 0.03 -0.09 0.00 0.00 0.00 179.25 179.38 1kmm h ARG 150 N 0.81 0.91 -0.09 0.00 2.43 -0.71 -2.26 114.38 115.47 1kmm h ARG 150 Ca 0.34 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1kmm h ARG 150 Cb 0.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1kmm h ARG 150 CO -0.12 0.88 0.04 -1.49 -1.51 0.00 0.00 179.97 177.78 1kmm h TRP 151 N 0.85 0.13 -0.69 2.20 6.55 -0.42 -0.28 115.95 124.29 1kmm h TRP 151 Ca 0.17 -0.01 0.10 0.00 0.95 0.00 0.00 58.89 60.10 1kmm h TRP 151 Cb 0.46 -0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 28.64 1kmm h TRP 151 CO 0.03 0.20 0.31 -1.49 -1.05 0.00 0.00 178.44 176.43 1kmm h TRP 152 N 0.03 0.55 -0.39 0.49 -0.00 -1.09 0.14 115.95 115.67 1kmm h TRP 152 Ca 0.03 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.89 1kmm h TRP 152 Cb 0.11 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 1kmm h TRP 152 CO -0.03 0.16 -0.01 0.00 -0.00 0.00 0.00 178.44 178.56 1kmm h ARG 153 N 0.52 0.70 -0.85 0.49 3.08 -1.17 0.14 114.38 117.29 1kmm h ARG 153 Ca 0.35 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1kmm h ARG 153 Cb 0.42 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 1kmm h ARG 153 CO -0.30 0.80 0.56 0.00 -1.07 0.00 0.00 179.97 179.96 1kmm h ALA 154 N 0.88 1.42 -0.01 0.04 0.00 0.04 -1.09 119.26 120.54 1kmm h ALA 154 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kmm h ALA 154 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kmm h ALA 154 CO 0.02 0.52 -0.26 1.28 0.00 0.00 0.00 179.25 180.81 1kmm n LEU 155 N -4.42 0.93 -2.19 0.00 7.99 0.39 -4.97 117.00 114.74 1kmm n LEU 155 Ca 0.10 -0.21 -0.16 0.00 -0.01 0.00 0.00 56.01 55.73 1kmm n LEU 155 Cb 0.05 -0.14 0.03 0.00 -0.11 0.00 0.00 43.42 43.25 1kmm n LEU 155 CO 0.36 0.18 0.01 0.61 -1.51 0.00 0.00 177.39 177.04 1kmm n GLY 156 N 1.35 -0.14 0.11 -0.72 0.00 0.35 -4.89 105.19 101.24 1kmm n GLY 156 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1kmm n GLY 156 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kmm n ILE 157 N -4.13 1.31 -0.23 -0.61 -5.35 -0.35 -4.76 119.36 105.24 1kmm n ILE 157 Ca -0.07 -1.52 0.19 0.00 -0.27 0.00 0.00 62.75 61.08 1kmm n ILE 157 Cb 0.58 0.11 0.53 0.00 -1.74 0.00 0.00 39.64 39.12 1kmm n ILE 157 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1kmm h SER 158 N 0.00 0.38 0.61 7.28 4.64 -1.87 -0.34 113.55 124.24 1kmm h SER 158 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1kmm h SER 158 Cb 0.93 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1kmm h SER 158 CO 0.00 0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.49 1kmm n GLU 159 N -4.49 0.03 -2.32 4.77 -0.58 -1.26 -3.68 120.64 113.11 1kmm n GLU 159 Ca 0.19 0.24 -0.19 0.00 -0.42 0.00 0.00 57.16 56.98 1kmm n GLU 159 Cb 0.70 -1.55 0.02 0.00 -0.57 0.00 0.00 31.44 30.04 1kmm n GLU 159 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1kmm n HIS 160 N -1.61 2.51 -3.67 -0.32 8.25 -0.14 -4.99 115.22 115.27 1kmm n HIS 160 Ca 0.04 -2.46 -0.08 0.00 -0.26 0.00 0.00 57.72 54.96 1kmm n HIS 160 Cb 0.20 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 30.96 1kmm n HIS 160 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kmm s VAL 161 N -4.56 -0.26 0.21 1.59 1.01 -1.24 -4.47 120.40 112.68 1kmm s VAL 161 Ca 0.44 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.58 1kmm s VAL 161 Cb 0.40 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1kmm s VAL 161 CO -0.03 0.03 -0.06 -0.89 0.00 0.00 0.00 175.10 174.15 1kmm s THR 162 N 1.90 3.28 -0.19 3.92 2.01 0.20 -4.90 115.64 121.86 1kmm s THR 162 Ca -0.08 -1.75 -0.05 0.00 0.31 0.00 0.00 61.69 60.12 1kmm s THR 162 Cb -0.08 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1kmm s THR 162 CO -0.16 -0.20 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.34 1kmm s LEU 163 N -3.13 3.24 -0.11 4.42 2.96 -1.26 -0.95 118.68 123.86 1kmm s LEU 163 Ca 0.27 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1kmm s LEU 163 Cb -0.08 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1kmm s LEU 163 CO 0.17 0.08 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.59 1kmm s GLU 164 N 0.89 3.16 0.14 1.98 2.02 -0.42 -1.22 118.70 125.24 1kmm s GLU 164 Ca 0.01 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.46 1kmm s GLU 164 Cb -0.14 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1kmm s GLU 164 CO 0.02 0.42 -0.12 -1.17 0.02 0.00 0.00 175.26 174.44 1kmm s LEU 165 N -0.17 2.48 -0.21 1.80 0.20 -0.13 -2.04 118.68 120.62 1kmm s LEU 165 Ca 0.02 -0.93 -0.30 0.00 0.69 0.00 0.00 54.13 53.61 1kmm s LEU 165 Cb -0.13 -0.43 0.15 0.00 -0.43 0.00 0.00 46.19 45.35 1kmm s LEU 165 CO 0.03 -0.25 1.13 0.21 -0.29 0.00 0.00 176.35 177.18 1kmm s ASN 166 N -2.88 -0.25 -0.11 3.68 2.47 -0.19 -0.92 114.94 116.75 1kmm s ASN 166 Ca 0.13 0.27 0.01 0.00 0.42 0.00 0.00 52.86 53.69 1kmm s ASN 166 Cb -0.01 0.20 -0.02 0.00 -1.45 0.00 0.00 41.25 39.98 1kmm s ASN 166 CO 0.02 -0.23 -0.13 -0.55 -3.72 0.00 0.00 177.10 172.49 1kmm s SER 167 N -1.07 4.02 -0.23 -4.21 0.15 -1.26 -0.49 113.70 110.61 1kmm s SER 167 Ca 0.02 -0.29 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1kmm s SER 167 Cb -0.01 -1.41 0.50 0.00 -1.71 0.00 0.00 66.02 63.40 1kmm s SER 167 CO -0.02 0.21 1.42 2.30 1.20 0.00 0.00 173.24 178.36 1kmm n ILE 168 N 3.19 2.40 -2.58 6.45 -5.35 -0.03 -4.85 119.36 118.58 1kmm n ILE 168 Ca -0.18 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 59.94 1kmm n ILE 168 Cb 0.53 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1kmm n ILE 168 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kmm n GLY 169 N -0.91 0.93 3.98 3.28 0.00 -1.25 -4.64 105.19 106.59 1kmm n GLY 169 Ca 0.27 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1kmm n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kmm s SER 170 N -4.00 5.05 0.21 1.61 1.04 -1.26 -3.19 113.70 113.16 1kmm s SER 170 Ca 0.00 -0.88 -0.13 0.00 0.48 0.00 0.00 55.95 55.42 1kmm s SER 170 Cb 0.00 0.11 0.25 0.00 0.10 0.00 0.00 66.02 66.48 1kmm s SER 170 CO 0.00 -1.13 1.65 -0.07 0.98 0.00 0.00 173.24 174.67 1kmm h LEU 171 N 0.48 -0.43 0.26 2.42 -0.00 -1.97 -2.32 115.31 113.75 1kmm h LEU 171 Ca -0.34 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1kmm h LEU 171 Cb 1.29 0.33 -0.04 0.00 -0.00 0.00 0.00 40.66 42.24 1kmm h LEU 171 CO 0.47 -0.16 -0.48 -0.33 -0.00 0.00 0.00 178.44 177.94 1kmm h GLU 172 N 0.05 -0.78 -1.00 1.13 3.07 -1.96 0.14 114.58 115.22 1kmm h GLU 172 Ca 0.30 0.05 0.14 0.00 -0.50 0.00 0.00 59.36 59.36 1kmm h GLU 172 Cb 0.48 0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 28.48 1kmm h GLU 172 CO -0.58 -0.52 0.62 0.00 -1.40 0.00 0.00 179.01 177.14 1kmm h ALA 173 N -0.53 1.55 -0.07 3.43 0.00 -1.68 0.16 119.26 122.13 1kmm h ALA 173 Ca -0.02 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1kmm h ALA 173 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1kmm h ALA 173 CO -0.19 0.14 -0.66 0.00 0.00 0.00 0.00 179.25 178.54 1kmm h ARG 174 N 0.92 0.29 0.00 0.00 3.08 -1.04 0.43 114.38 118.06 1kmm h ARG 174 Ca 0.52 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1kmm h ARG 174 Cb 0.61 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1kmm h ARG 174 CO -0.30 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 1kmm n ALA 175 N -2.48 2.21 -0.08 0.04 0.00 0.44 -2.52 120.51 118.13 1kmm n ALA 175 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1kmm n ALA 175 Cb 0.66 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 1kmm n ALA 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kmm n ASN 176 N -1.49 0.10 0.21 0.00 3.02 0.36 -4.10 115.26 113.38 1kmm n ASN 176 Ca 0.07 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.72 1kmm n ASN 176 Cb 0.30 1.23 0.37 0.00 -0.61 0.00 0.00 39.78 41.07 1kmm n ASN 176 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1kmm h TYR 177 N 0.00 0.00 0.73 3.10 3.20 -0.82 -3.30 116.97 119.88 1kmm h TYR 177 Ca -0.41 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 1kmm h TYR 177 Cb 1.92 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.19 1kmm h TYR 177 CO 0.00 0.21 -0.41 0.07 -1.64 0.00 0.00 178.16 176.39 1kmm h ARG 178 N 0.00 -1.02 -0.97 1.82 0.11 -1.64 0.26 114.38 112.94 1kmm h ARG 178 Ca -0.00 0.07 0.15 0.00 0.10 0.00 0.00 59.98 60.30 1kmm h ARG 178 Cb 0.87 0.23 -0.16 0.00 1.11 0.00 0.00 29.97 32.02 1kmm h ARG 178 CO 0.03 -0.68 -0.37 -0.44 0.10 0.00 0.00 179.97 178.61 1kmm h ASP 179 N -1.05 -1.37 0.27 0.08 3.32 -1.77 1.02 116.42 116.91 1kmm h ASP 179 Ca -0.10 0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1kmm h ASP 179 Cb 0.83 0.73 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1kmm h ASP 179 CO 0.13 -0.29 -0.13 0.00 -1.72 0.00 0.00 179.24 177.23 1kmm h ALA 180 N 1.41 -0.37 0.75 3.45 0.00 -1.64 -1.27 119.26 121.59 1kmm h ALA 180 Ca 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1kmm h ALA 180 Cb 0.61 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1kmm h ALA 180 CO -0.97 -0.63 -0.49 1.25 0.00 0.00 0.00 179.25 178.41 1kmm h LEU 181 N -0.52 -1.25 -0.71 0.00 5.85 0.25 -2.06 115.31 116.87 1kmm h LEU 181 Ca -0.04 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.89 1kmm h LEU 181 Cb 0.39 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1kmm h LEU 181 CO 0.06 -0.74 0.23 0.58 -0.34 0.00 0.00 178.44 178.24 1kmm h VAL 182 N -1.17 0.63 -0.30 1.05 2.07 0.84 -0.43 116.25 118.95 1kmm h VAL 182 Ca -0.10 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1kmm h VAL 182 Cb 0.95 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1kmm h VAL 182 CO 0.08 0.07 -0.10 0.00 0.02 0.00 0.00 177.57 177.64 1kmm h ALA 183 N 1.54 0.16 -0.58 1.67 0.00 -1.02 0.11 119.26 121.13 1kmm h ALA 183 Ca 0.39 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1kmm h ALA 183 Cb 0.60 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1kmm h ALA 183 CO -0.42 -0.49 0.26 0.35 0.00 0.00 0.00 179.25 178.95 1kmm h PHE 184 N -0.04 0.82 -0.45 0.00 3.04 -0.59 -2.49 116.94 117.23 1kmm h PHE 184 Ca 0.15 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1kmm h PHE 184 Cb 0.27 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1kmm h PHE 184 CO -0.31 0.62 0.16 -0.07 -2.02 0.00 0.00 178.31 176.69 1kmm h LEU 185 N 0.83 0.64 -0.57 0.59 3.38 0.57 0.96 115.31 121.72 1kmm h LEU 185 Ca 0.20 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1kmm h LEU 185 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1kmm h LEU 185 CO -0.02 0.66 0.34 -0.08 0.09 0.00 0.00 178.44 179.42 1kmm h GLU 186 N 0.59 0.64 0.00 1.13 4.57 -0.63 -3.35 114.58 117.52 1kmm h GLU 186 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1kmm h GLU 186 Cb 0.24 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1kmm h GLU 186 CO -0.01 0.42 0.00 1.04 -1.18 0.00 0.00 179.01 179.29 1kmm n GLN 187 N -4.78 0.00 0.00 1.92 3.00 -0.96 -5.12 117.38 111.44 1kmm n GLN 187 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1kmm n GLN 187 Cb 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 29.90 1kmm n GLN 187 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1kmm n HIS 188 N -0.20 0.00 -4.82 1.08 -0.00 0.31 -5.09 115.22 106.50 1kmm n HIS 188 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1kmm n HIS 188 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 1kmm n HIS 188 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kmm s ALA 224 N -2.46 1.67 0.12 1.59 0.00 -1.26 -5.00 121.76 116.43 1kmm s ALA 224 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1kmm s ALA 224 Cb 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 1kmm s ALA 224 CO 0.00 0.16 1.76 1.25 0.00 0.00 0.00 175.76 178.93 1kmm h LEU 225 N 6.93 0.28 -0.72 0.00 5.85 -1.99 -3.08 115.31 122.58 1kmm h LEU 225 Ca -0.26 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1kmm h LEU 225 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1kmm h LEU 225 CO 0.48 0.23 0.52 1.23 -0.34 0.00 0.00 178.44 180.55 1kmm h GLY 226 N 0.30 0.00 0.81 3.75 0.00 -1.89 -1.36 103.07 104.69 1kmm h GLY 226 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1kmm h GLY 226 CO -0.02 0.00 -0.78 1.22 0.00 0.00 0.00 176.54 176.97 1kmm n ASP 227 N -2.17 0.63 -0.66 0.19 8.00 -1.16 -4.01 116.55 117.36 1kmm n ASP 227 Ca -0.01 -0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.40 1kmm n ASP 227 Cb 0.53 0.50 0.06 0.00 -0.02 0.00 0.00 41.12 42.19 1kmm n ASP 227 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kmm n TYR 228 N -1.84 0.00 -1.62 1.24 4.02 -0.51 -4.95 117.16 113.48 1kmm n TYR 228 Ca 0.03 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.45 1kmm n TYR 228 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.68 1kmm n TYR 228 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kmm n LEU 229 N 0.80 3.30 -4.52 7.72 4.77 -1.24 -4.49 117.00 123.34 1kmm n LEU 229 Ca 0.10 0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 56.44 1kmm n LEU 229 Cb 0.43 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.20 1kmm n LEU 229 CO 0.13 -0.26 0.23 -0.90 -1.33 0.00 0.00 177.39 175.27 1kmm n ASP 230 N 8.33 -0.70 -0.09 -1.43 5.75 -1.26 -4.75 116.55 122.40 1kmm n ASP 230 Ca 0.27 0.56 -0.07 0.00 -0.01 0.00 0.00 54.79 55.54 1kmm n ASP 230 Cb 0.33 -1.29 -0.01 0.00 -1.03 0.00 0.00 41.12 39.12 1kmm n ASP 230 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1kmm h GLU 231 N -0.63 -0.21 -0.92 0.11 4.39 -2.01 -2.12 114.58 113.19 1kmm h GLU 231 Ca -0.46 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.37 1kmm h GLU 231 Cb 1.33 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 1kmm h GLU 231 CO 0.42 -0.14 0.59 0.93 -1.16 0.00 0.00 179.01 179.66 1kmm h GLU 232 N -0.22 0.87 0.00 2.33 5.08 -2.01 -2.14 114.58 118.49 1kmm h GLU 232 Ca 0.17 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1kmm h GLU 232 Cb 0.48 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1kmm h GLU 232 CO -0.47 0.57 -0.45 0.77 -1.00 0.00 0.00 179.01 178.44 1kmm h SER 233 N 0.89 0.00 -0.21 1.42 0.02 -1.73 -2.73 113.55 111.21 1kmm h SER 233 Ca 0.44 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.20 1kmm h SER 233 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1kmm h SER 233 CO -0.20 0.45 -0.59 0.03 -1.14 0.00 0.00 176.83 175.38 1kmm h ARG 234 N 0.00 0.81 0.69 3.45 3.08 -1.06 -1.89 114.38 119.46 1kmm h ARG 234 Ca -0.00 -0.54 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1kmm h ARG 234 Cb 0.89 0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.02 1kmm h ARG 234 CO 0.06 1.17 -0.33 0.93 -1.07 0.00 0.00 179.97 180.72 1kmm h GLU 235 N 0.61 -0.89 -0.59 0.04 5.08 -1.45 -0.79 114.58 116.59 1kmm h GLU 235 Ca 0.00 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1kmm h GLU 235 Cb 1.19 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.54 1kmm h GLU 235 CO 0.13 -0.57 -0.00 1.25 -1.00 0.00 0.00 179.01 178.81 1kmm h HIS 236 N -0.99 -0.04 0.00 4.33 2.76 -1.52 0.15 115.15 119.84 1kmm h HIS 236 Ca -0.09 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.03 1kmm h HIS 236 Cb 0.73 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1kmm h HIS 236 CO -0.02 -0.16 -0.43 0.35 -1.30 0.00 0.00 177.93 176.38 1kmm h PHE 237 N 0.12 0.00 -0.08 5.26 3.57 -1.26 -1.38 116.94 123.17 1kmm h PHE 237 Ca 0.31 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 1kmm h PHE 237 Cb 0.49 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.24 1kmm h PHE 237 CO -0.36 0.43 -0.50 0.00 -2.23 0.00 0.00 178.31 175.65 1kmm h ALA 238 N 1.57 0.17 -0.46 2.41 0.00 0.39 -1.56 119.26 121.77 1kmm h ALA 238 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1kmm h ALA 238 Cb 0.79 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1kmm h ALA 238 CO 0.06 0.35 0.24 0.78 0.00 0.00 0.00 179.25 180.68 1kmm h GLY 239 N 0.05 0.64 0.59 0.00 0.00 -0.65 0.32 103.07 104.02 1kmm h GLY 239 Ca -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.16 1kmm h GLY 239 CO 0.10 0.12 -0.06 -2.00 0.00 0.00 0.00 176.54 174.71 1kmm h LEU 240 N 0.48 -0.20 -0.53 3.11 5.85 -1.21 -0.49 115.31 122.32 1kmm h LEU 240 Ca 0.20 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1kmm h LEU 240 Cb 0.08 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1kmm h LEU 240 CO -0.13 -0.07 0.27 0.00 -0.34 0.00 0.00 178.44 178.17 1kmm h LYS 242 N 0.70 0.53 -0.20 0.00 3.64 0.11 -1.51 116.57 119.85 1kmm h LYS 242 Ca 0.18 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1kmm h LYS 242 Cb 0.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1kmm h LYS 242 CO -0.03 0.35 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.88 1kmm h LEU 243 N 0.54 0.83 -0.64 5.20 4.07 -0.27 -3.04 115.31 122.00 1kmm h LEU 243 Ca 0.23 -0.58 -0.11 0.00 0.08 0.00 0.00 57.88 57.51 1kmm h LEU 243 Cb 0.24 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1kmm h LEU 243 CO -0.06 1.26 -0.09 -0.07 -1.08 0.00 0.00 178.44 178.40 1kmm h LEU 244 N 0.44 0.96 -0.35 1.67 4.07 -0.66 -2.04 115.31 119.40 1kmm h LEU 244 Ca -0.01 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1kmm h LEU 244 Cb 1.17 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1kmm h LEU 244 CO 0.12 1.07 0.22 -0.33 -1.08 0.00 0.00 178.44 178.44 1kmm h GLU 245 N 0.87 0.47 -0.61 1.13 5.08 -1.34 0.07 114.58 120.26 1kmm h GLU 245 Ca 0.14 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1kmm h GLU 245 Cb 0.63 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1kmm h GLU 245 CO 0.04 0.33 0.38 0.77 -1.00 0.00 0.00 179.01 179.54 1kmm h SER 246 N 0.47 0.65 0.42 1.42 0.02 -1.41 0.15 113.55 115.26 1kmm h SER 246 Ca 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1kmm h SER 246 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1kmm h SER 246 CO -0.03 0.46 0.00 0.00 -1.14 0.00 0.00 176.83 176.12 1kmm n ALA 247 N -2.28 1.57 -1.10 3.77 0.00 -0.78 -4.83 120.51 116.86 1kmm n ALA 247 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1kmm n ALA 247 Cb 0.05 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1kmm n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmm n GLY 248 N -0.23 0.53 3.63 0.00 0.00 0.52 -5.01 105.19 104.63 1kmm n GLY 248 Ca 0.03 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1kmm n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kmm s ILE 249 N -2.08 4.95 -0.08 -0.61 1.01 -0.09 -5.01 121.20 119.30 1kmm s ILE 249 Ca 0.00 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 1kmm s ILE 249 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1kmm s ILE 249 CO 0.00 0.01 0.66 0.00 0.00 0.00 0.00 174.94 175.61 1kmm s ALA 250 N 2.53 3.36 0.32 9.38 0.00 -1.26 -4.26 121.76 131.83 1kmm s ALA 250 Ca 0.29 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1kmm s ALA 250 Cb -0.15 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1kmm s ALA 250 CO 0.08 -0.08 0.13 2.48 0.00 0.00 0.00 175.76 178.37 1kmm n TYR 251 N 3.76 0.04 -3.58 0.00 4.11 -1.26 -4.17 117.16 116.06 1kmm n TYR 251 Ca -0.02 -2.09 -0.12 0.00 -0.00 0.00 0.00 57.90 55.67 1kmm n TYR 251 Cb 0.51 0.02 -0.11 0.00 -0.00 0.00 0.00 39.34 39.76 1kmm n TYR 251 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1kmm s THR 252 N -2.79 -0.50 0.06 -3.48 2.01 -0.36 -4.97 115.64 105.61 1kmm s THR 252 Ca 0.18 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 1kmm s THR 252 Cb 0.01 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1kmm s THR 252 CO 0.13 0.02 1.25 -0.69 -0.69 0.00 0.00 174.62 174.64 1kmm s VAL 253 N 2.48 3.88 -0.23 3.82 1.01 -1.26 -0.95 120.40 129.14 1kmm s VAL 253 Ca 0.03 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1kmm s VAL 253 Cb -0.13 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1kmm s VAL 253 CO -0.11 0.09 -0.04 0.21 0.00 0.00 0.00 175.10 175.25 1kmm s ASN 254 N 1.16 3.75 0.00 3.32 3.84 -0.10 -4.89 114.94 122.03 1kmm s ASN 254 Ca 0.60 -1.15 0.27 0.00 0.21 0.00 0.00 52.86 52.79 1kmm s ASN 254 Cb -0.31 -1.11 1.46 0.00 -0.55 0.00 0.00 41.25 40.75 1kmm s ASN 254 CO 0.29 -0.25 1.96 0.00 -2.79 0.00 0.00 177.10 176.30 1kmm n GLN 255 N 4.72 0.54 -0.17 0.43 6.02 -1.26 -2.74 117.38 124.91 1kmm n GLN 255 Ca -0.11 0.02 0.09 0.00 -0.01 0.00 0.00 57.00 56.99 1kmm n GLN 255 Cb 0.44 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.38 1kmm n GLN 255 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1kmm n ARG 256 N -1.20 2.28 -2.90 -1.09 0.63 -1.26 -4.49 116.66 108.63 1kmm n ARG 256 Ca 0.15 -2.06 -0.43 0.00 -0.92 0.00 0.00 57.85 54.60 1kmm n ARG 256 Cb 0.18 -1.39 -0.05 0.00 0.45 0.00 0.00 32.46 31.65 1kmm n ARG 256 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1kmm s LEU 257 N -1.17 4.15 0.05 6.15 1.98 -1.11 -5.00 118.68 123.73 1kmm s LEU 257 Ca 0.30 -0.02 0.04 0.00 -2.89 0.00 0.00 54.13 51.56 1kmm s LEU 257 Cb 0.17 -3.06 -0.02 0.00 0.66 0.00 0.00 46.19 43.94 1kmm s LEU 257 CO 0.24 -0.98 -0.12 -0.69 -1.89 0.00 0.00 176.35 172.90 1kmm s VAL 258 N 3.51 0.96 0.64 1.68 1.01 -1.26 -4.90 120.40 122.05 1kmm s VAL 258 Ca 0.33 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1kmm s VAL 258 Cb -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1kmm s VAL 258 CO 0.24 -0.12 0.96 -0.13 0.00 0.00 0.00 175.10 176.05 1kmm s ARG 259 N -1.32 2.66 0.00 2.72 1.81 -1.26 -4.97 118.95 118.59 1kmm s ARG 259 Ca -0.01 -0.04 0.20 0.00 -1.72 0.00 0.00 55.73 54.16 1kmm s ARG 259 Cb -0.08 -2.21 1.06 0.00 -0.45 0.00 0.00 34.95 33.27 1kmm s ARG 259 CO 0.01 -0.93 1.70 0.41 -0.68 0.00 0.00 175.30 175.82 1kmm n GLY 260 N -2.75 -0.66 3.64 -3.53 0.00 -1.26 -4.80 105.19 95.83 1kmm n GLY 260 Ca 0.06 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1kmm n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kmm s LEU 261 N -1.61 3.22 0.00 0.99 2.01 -1.26 -4.64 118.68 117.38 1kmm s LEU 261 Ca 0.30 -0.48 0.23 0.00 0.01 0.00 0.00 54.13 54.19 1kmm s LEU 261 Cb 0.15 -1.85 0.44 0.00 0.01 0.00 0.00 46.19 44.93 1kmm s LEU 261 CO 0.24 0.07 1.41 0.47 1.01 0.00 0.00 176.35 179.55 1kmm n ASP 262 N -0.25 3.23 0.01 2.29 8.00 -0.87 -4.48 116.55 124.49 1kmm n ASP 262 Ca -0.09 -1.97 0.12 0.00 0.71 0.00 0.00 54.79 53.56 1kmm n ASP 262 Cb 0.56 -0.21 0.29 0.00 -0.02 0.00 0.00 41.12 41.74 1kmm n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kmm n TYR 263 N 1.36 0.08 -2.10 1.24 0.18 -1.26 -4.96 117.16 111.69 1kmm n TYR 263 Ca 0.19 0.02 -0.37 0.00 1.88 0.00 0.00 57.90 59.62 1kmm n TYR 263 Cb 0.58 -0.34 0.01 0.00 -0.38 0.00 0.00 39.34 39.21 1kmm n TYR 263 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1kmm s TYR 264 N -3.02 2.63 0.00 -3.48 2.02 -1.25 -4.39 117.35 109.85 1kmm s TYR 264 Ca 0.11 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.30 1kmm s TYR 264 Cb 0.17 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1kmm s TYR 264 CO 0.68 -1.96 0.00 0.27 -1.57 0.00 0.00 175.55 172.97 1kmm n ASN 265 N -0.90 0.00 0.00 2.29 6.94 -0.85 -4.87 115.26 117.88 1kmm n ASN 265 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1kmm n ASN 265 Cb 0.48 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1kmm n ASN 265 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1kmm n ARG 266 N 0.00 0.00 -1.91 -3.83 1.74 -1.19 -3.56 116.66 107.91 1kmm n ARG 266 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1kmm n ARG 266 Cb 0.00 -0.61 -0.02 0.00 -1.02 0.00 0.00 32.46 30.82 1kmm n ARG 266 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1kmm s THR 267 N -0.37 2.37 -0.15 0.55 2.01 -1.26 -0.85 115.64 117.94 1kmm s THR 267 Ca 0.00 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 1kmm s THR 267 Cb 0.00 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.35 1kmm s THR 267 CO 0.00 0.06 0.39 0.54 -0.69 0.00 0.00 174.62 174.92 1kmm s VAL 268 N -0.31 -0.01 0.22 3.82 0.11 0.36 0.31 120.40 124.91 1kmm s VAL 268 Ca 0.58 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 1kmm s VAL 268 Cb -0.44 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1kmm s VAL 268 CO 0.49 0.01 0.57 0.72 -3.33 0.00 0.00 175.10 173.56 1kmm s PHE 269 N 0.60 -0.08 -0.21 1.54 -0.71 -0.40 -1.02 117.98 117.71 1kmm s PHE 269 Ca -0.03 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 55.39 1kmm s PHE 269 Cb -0.05 0.44 0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1kmm s PHE 269 CO -0.04 -1.00 0.55 -1.21 -1.34 0.00 0.00 175.22 172.18 1kmm s GLU 270 N -3.90 0.63 -0.29 1.99 2.02 -0.86 -1.24 118.70 117.05 1kmm s GLU 270 Ca 0.11 0.78 -0.10 0.00 0.02 0.00 0.00 54.97 55.78 1kmm s GLU 270 Cb -0.02 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 1kmm s GLU 270 CO 0.01 -0.08 0.17 -1.58 0.02 0.00 0.00 175.26 173.79 1kmm s TRP 271 N 0.39 3.19 0.04 1.61 0.52 0.17 -1.30 118.94 123.54 1kmm s TRP 271 Ca -0.01 -0.20 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1kmm s TRP 271 Cb -0.04 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1kmm s TRP 271 CO -0.01 -0.30 -0.22 0.08 0.02 0.00 0.00 176.95 176.52 1kmm s VAL 272 N 1.69 2.44 0.02 4.03 1.01 -0.12 -1.02 120.40 128.45 1kmm s VAL 272 Ca 0.06 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 60.85 1kmm s VAL 272 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1kmm s VAL 272 CO 0.08 0.37 -0.21 0.28 0.00 0.00 0.00 175.10 175.63 1kmm s THR 273 N -0.84 2.54 -0.76 3.92 -1.32 -0.97 -0.62 115.64 117.58 1kmm s THR 273 Ca 0.13 -1.17 0.25 0.00 -1.21 0.00 0.00 61.69 59.69 1kmm s THR 273 Cb -0.10 -2.01 0.07 0.00 -1.51 0.00 0.00 72.50 68.94 1kmm s THR 273 CO 0.03 0.42 1.42 0.59 -2.21 0.00 0.00 174.62 174.86 1kmm n ASN 274 N 1.85 0.61 0.00 8.08 5.03 -1.26 -3.53 115.26 126.03 1kmm n ASN 274 Ca -0.16 0.08 0.03 0.00 0.87 0.00 0.00 54.58 55.40 1kmm n ASN 274 Cb 0.52 0.08 0.17 0.00 -1.02 0.00 0.00 39.78 39.53 1kmm n ASN 274 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1kmm n SER 275 N -1.92 0.00 -3.48 6.41 7.64 -1.26 -4.79 113.62 116.22 1kmm n SER 275 Ca 0.04 -1.21 -0.23 0.00 1.01 0.00 0.00 58.87 58.49 1kmm n SER 275 Cb 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1kmm n SER 275 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1kmm n LEU 276 N -0.63 -0.87 0.10 -3.43 -0.00 -1.23 -4.70 117.00 106.24 1kmm n LEU 276 Ca 0.04 -0.40 0.09 0.00 -0.00 0.00 0.00 56.01 55.74 1kmm n LEU 276 Cb 0.02 -1.64 0.42 0.00 -0.00 0.00 0.00 43.42 42.22 1kmm n LEU 276 CO 0.03 0.09 0.77 0.61 -0.00 0.00 0.00 177.39 178.89 1kmm n GLY 277 N -0.94 -0.98 1.20 -3.96 0.00 -1.26 -4.65 105.19 94.60 1kmm n GLY 277 Ca 0.03 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1kmm n GLY 277 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kmm n SER 278 N -2.02 1.03 0.05 1.61 2.88 -1.26 -4.53 113.62 111.38 1kmm n SER 278 Ca 0.01 -1.78 0.10 0.00 -1.33 0.00 0.00 58.87 55.87 1kmm n SER 278 Cb 0.12 0.37 0.40 0.00 -0.75 0.00 0.00 64.21 64.35 1kmm n SER 278 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kmm n GLN 279 N -0.33 0.08 0.00 -1.46 1.13 -1.26 -4.76 117.38 110.79 1kmm n GLN 279 Ca -0.02 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1kmm n GLN 279 Cb 0.22 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1kmm n GLN 279 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kmm n GLY 280 N 0.17 -0.44 3.69 1.08 0.00 -1.26 -5.01 105.19 103.41 1kmm n GLY 280 Ca 0.03 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1kmm n GLY 280 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kmm s THR 281 N 0.00 4.66 -0.11 2.61 -1.32 -1.26 -2.29 115.64 117.92 1kmm s THR 281 Ca 0.00 1.94 0.15 0.00 -1.21 0.00 0.00 61.69 62.58 1kmm s THR 281 Cb 0.00 -4.25 -0.23 0.00 -1.51 0.00 0.00 72.50 66.51 1kmm s THR 281 CO 0.00 -0.00 0.43 0.52 -2.21 0.00 0.00 174.62 173.36 1kmm n VAL 282 N 4.60 1.44 -3.81 5.08 0.31 -0.19 -4.90 118.33 120.85 1kmm n VAL 282 Ca 0.09 -0.80 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 1kmm n VAL 282 Cb 0.48 -0.75 -0.12 0.00 -0.91 0.00 0.00 33.84 32.54 1kmm n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kmm s ALA 284 N 0.08 -1.32 0.00 0.00 0.00 -1.03 0.41 121.76 119.90 1kmm s ALA 284 Ca -0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1kmm s ALA 284 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1kmm s ALA 284 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1kmm n GLY 285 N 2.24 1.49 0.00 0.00 0.00 -0.37 -2.24 105.19 106.31 1kmm n GLY 285 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1kmm n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 286 N 0.00 -1.96 3.74 -0.02 0.00 -0.88 -1.27 105.19 104.80 1kmm n GLY 286 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1kmm n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kmm s ARG 287 N -1.77 1.17 -0.36 1.61 1.81 0.15 -2.44 118.95 119.11 1kmm s ARG 287 Ca 0.00 0.56 0.05 0.00 -1.72 0.00 0.00 55.73 54.62 1kmm s ARG 287 Cb 0.00 -1.82 0.28 0.00 -0.45 0.00 0.00 34.95 32.96 1kmm s ARG 287 CO 0.00 -2.24 1.27 2.48 -0.68 0.00 0.00 175.30 176.13 1kmm n TYR 288 N -3.84 -1.18 -0.02 -0.53 4.11 -0.92 -2.00 117.16 112.78 1kmm n TYR 288 Ca 0.06 -1.17 0.08 0.00 -0.00 0.00 0.00 57.90 56.88 1kmm n TYR 288 Cb 0.57 1.33 0.48 0.00 -0.00 0.00 0.00 39.34 41.72 1kmm n TYR 288 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1kmm h ASP 289 N 2.12 0.38 0.50 9.48 3.32 -1.79 -3.06 116.42 127.37 1kmm h ASP 289 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1kmm h ASP 289 Cb 1.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1kmm h ASP 289 CO -0.02 0.26 -0.60 0.61 -1.72 0.00 0.00 179.24 177.76 1kmm n GLY 290 N -1.50 -1.25 0.33 2.75 0.00 -1.26 -4.37 105.19 99.89 1kmm n GLY 290 Ca 0.06 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1kmm n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1kmm h LEU 291 N 0.00 0.62 -0.75 0.99 5.85 -1.79 -1.46 115.31 118.78 1kmm h LEU 291 Ca 0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1kmm h LEU 291 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1kmm h LEU 291 CO 0.00 0.43 -0.20 0.58 -0.34 0.00 0.00 178.44 178.91 1kmm h VAL 292 N 0.72 1.27 -0.01 1.05 2.07 -1.80 -1.70 116.25 117.86 1kmm h VAL 292 Ca 0.24 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1kmm h VAL 292 Cb 0.05 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1kmm h VAL 292 CO -0.06 0.43 -0.07 -0.08 0.02 0.00 0.00 177.57 177.81 1kmm h GLU 293 N 0.65 0.06 -1.01 1.57 4.81 -1.58 -1.29 114.58 117.79 1kmm h GLU 293 Ca 0.09 -0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.52 1kmm h GLU 293 Cb 0.69 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.00 1kmm h GLU 293 CO 0.05 0.77 0.66 0.37 -0.73 0.00 0.00 179.01 180.13 1kmm h GLN 294 N -0.63 0.37 -0.53 1.92 4.15 -1.20 0.42 115.11 119.61 1kmm h GLN 294 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1kmm h GLN 294 Cb 0.78 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1kmm h GLN 294 CO 0.01 0.25 0.00 1.28 -1.93 0.00 0.00 178.83 178.44 1kmm n LEU 295 N -4.57 1.69 0.00 -2.39 4.32 -0.65 -4.86 117.00 110.55 1kmm n LEU 295 Ca 0.24 -0.85 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1kmm n LEU 295 Cb 0.84 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1kmm n LEU 295 CO 0.28 0.31 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 1kmm n GLY 296 N 0.52 0.83 2.69 -0.72 0.00 0.15 -5.03 105.19 103.62 1kmm n GLY 296 Ca 0.07 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1kmm n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 297 N -2.29 3.52 3.74 -0.02 0.00 -0.49 -5.01 105.19 104.64 1kmm n GLY 297 Ca 0.00 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1kmm n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kmm s ARG 298 N -3.41 4.60 -0.05 1.61 1.81 -1.26 -4.02 118.95 118.22 1kmm s ARG 298 Ca 0.05 1.27 -0.36 0.00 -1.72 0.00 0.00 55.73 54.98 1kmm s ARG 298 Cb -0.00 -3.37 -0.13 0.00 -0.45 0.00 0.00 34.95 30.99 1kmm s ARG 298 CO 0.03 0.25 1.73 0.00 -0.68 0.00 0.00 175.30 176.64 1kmm n ALA 299 N 2.77 0.59 -2.90 2.13 0.00 -1.26 -4.52 120.51 117.31 1kmm n ALA 299 Ca -0.00 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 1kmm n ALA 299 Cb 0.50 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 1kmm n ALA 299 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1kmm s THR 300 N 2.91 0.16 0.68 0.00 -1.32 -1.26 -4.96 115.64 111.85 1kmm s THR 300 Ca 0.90 -0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 60.73 1kmm s THR 300 Cb -0.79 -0.23 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1kmm s THR 300 CO 0.51 -0.25 1.07 -2.84 -2.21 0.00 0.00 174.62 170.90 1kmm s PRO 301 N -0.82 3.07 0.08 7.08 0.02 -1.26 -4.71 135.00 138.45 1kmm s PRO 301 Ca -0.08 0.61 -0.26 0.00 0.02 0.00 0.00 61.00 61.29 1kmm s PRO 301 Cb -0.06 -2.03 0.07 0.00 0.02 0.00 0.00 34.50 32.50 1kmm s PRO 301 CO -0.00 -0.92 0.62 0.00 -0.33 0.00 0.00 177.00 176.37 1kmm s ALA 302 N -3.26 -1.63 -0.11 -1.55 0.00 -1.26 -0.19 121.76 113.75 1kmm s ALA 302 Ca 0.57 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1kmm s ALA 302 Cb -0.11 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.62 1kmm s ALA 302 CO 0.53 -0.61 0.62 0.08 0.00 0.00 0.00 175.76 176.37 1kmm s VAL 303 N -2.79 0.01 0.00 0.00 1.01 -1.00 -2.15 120.40 115.47 1kmm s VAL 303 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1kmm s VAL 303 Cb -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1kmm s VAL 303 CO -0.04 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1kmm n GLY 304 N 1.59 1.43 3.70 4.51 0.00 -1.02 -1.38 105.19 114.03 1kmm n GLY 304 Ca -0.18 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1kmm n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kmm s PHE 305 N -5.23 -0.15 -0.02 1.61 -0.12 -0.17 -2.07 117.98 111.82 1kmm s PHE 305 Ca 0.00 -0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.66 1kmm s PHE 305 Cb 0.00 0.61 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1kmm s PHE 305 CO 0.00 -0.71 0.25 0.00 -0.05 0.00 0.00 175.22 174.71 1kmm s ALA 306 N -3.14 -0.62 0.03 1.99 0.00 -0.95 -0.71 121.76 118.36 1kmm s ALA 306 Ca 0.11 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1kmm s ALA 306 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1kmm s ALA 306 CO -0.00 -0.22 -0.15 1.41 0.00 0.00 0.00 175.76 176.79 1kmm s MET 307 N -1.13 1.05 -0.61 0.00 0.00 -0.32 -2.47 119.30 115.82 1kmm s MET 307 Ca -0.12 -0.75 -0.23 0.00 0.00 0.00 0.00 55.69 54.59 1kmm s MET 307 Cb -0.06 -1.07 0.06 0.00 0.00 0.00 0.00 34.83 33.76 1kmm s MET 307 CO 0.03 0.27 0.96 0.20 0.00 0.00 0.00 175.02 176.47 1kmm s GLY 308 N -1.01 1.38 0.25 2.11 0.00 -0.92 -1.71 107.32 107.42 1kmm s GLY 308 Ca 0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 1kmm s GLY 308 CO 0.01 2.06 1.83 1.41 0.00 0.00 0.00 173.10 178.41 1kmm h LEU 309 N 11.21 0.81 -0.57 0.66 3.38 -1.59 -1.26 115.31 127.95 1kmm h LEU 309 Ca -0.28 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1kmm h LEU 309 Cb 1.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1kmm h LEU 309 CO 1.14 0.48 0.32 -0.33 0.09 0.00 0.00 178.44 180.14 1kmm h GLU 310 N 0.92 0.61 -0.74 1.13 3.07 -1.91 0.24 114.58 117.91 1kmm h GLU 310 Ca 0.42 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1kmm h GLU 310 Cb 0.31 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1kmm h GLU 310 CO -0.22 0.40 0.42 0.00 -1.40 0.00 0.00 179.01 178.21 1kmm h ARG 311 N 0.63 1.02 0.54 2.33 3.08 -1.56 -1.16 114.38 119.26 1kmm h ARG 311 Ca 0.24 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1kmm h ARG 311 Cb 0.09 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1kmm h ARG 311 CO -0.13 0.74 -0.26 1.25 -1.07 0.00 0.00 179.97 180.50 1kmm h LEU 312 N 1.01 -0.62 -1.57 3.04 5.85 -0.16 0.16 115.31 123.03 1kmm h LEU 312 Ca 0.26 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.14 1kmm h LEU 312 Cb 0.01 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1kmm h LEU 312 CO -0.05 -0.33 0.57 0.58 -0.34 0.00 0.00 178.44 178.87 1kmm h VAL 313 N -0.90 0.70 -0.12 1.05 2.07 -0.41 0.10 116.25 118.75 1kmm h VAL 313 Ca -0.07 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1kmm h VAL 313 Cb 0.62 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1kmm h VAL 313 CO 0.12 0.07 -0.22 -0.07 0.02 0.00 0.00 177.57 177.49 1kmm h LEU 314 N 0.38 0.40 -1.41 2.57 4.07 -0.77 -2.24 115.31 118.30 1kmm h LEU 314 Ca 0.44 -0.55 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 1kmm h LEU 314 Cb 1.11 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1kmm h LEU 314 CO -0.15 0.88 0.11 0.25 -1.08 0.00 0.00 178.44 178.45 1kmm h LEU 315 N -0.06 0.46 0.14 1.67 5.85 0.16 -2.28 115.31 121.25 1kmm h LEU 315 Ca 0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1kmm h LEU 315 Cb 0.80 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1kmm h LEU 315 CO 0.05 0.45 -0.07 0.58 -0.34 0.00 0.00 178.44 179.11 1kmm h VAL 316 N 0.50 0.90 -0.16 1.05 2.07 -0.91 -2.04 116.25 117.67 1kmm h VAL 316 Ca 0.12 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.50 1kmm h VAL 316 Cb 0.16 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1kmm h VAL 316 CO -0.01 0.24 0.19 1.56 0.02 0.00 0.00 177.57 179.57 1kmm h GLN 317 N -0.85 0.00 0.10 1.57 4.20 -1.37 -0.13 115.11 118.64 1kmm h GLN 317 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1kmm h GLN 317 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1kmm h GLN 317 CO 0.03 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.14 1kmm h ALA 318 N 1.77 -0.20 -0.23 3.87 0.00 -1.36 -3.29 119.26 119.83 1kmm h ALA 318 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1kmm h ALA 318 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1kmm h ALA 318 CO -0.00 -0.19 -0.22 0.28 0.00 0.00 0.00 179.25 179.12 1kmm h VAL 319 N -0.67 1.25 -1.28 0.00 2.07 -1.30 -3.27 116.25 113.04 1kmm h VAL 319 Ca -0.01 -1.17 -0.67 0.00 0.82 0.00 0.00 66.70 65.66 1kmm h VAL 319 Cb 0.11 1.32 -0.32 0.00 -1.52 0.00 0.00 31.29 30.88 1kmm h VAL 319 CO 0.02 0.37 0.46 0.59 0.02 0.00 0.00 177.57 179.03 1kmm n ASN 320 N -4.15 6.85 0.00 0.57 5.03 -0.07 -4.96 115.26 118.54 1kmm n ASN 320 Ca -0.00 -3.79 0.00 0.00 0.87 0.00 0.00 54.58 51.66 1kmm n ASN 320 Cb 0.38 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 1kmm n ASN 320 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1kmm n PRO 321 N -0.73 0.00 -3.72 3.52 -0.04 -1.24 -1.82 135.00 130.97 1kmm n PRO 321 Ca 0.55 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.73 1kmm n PRO 321 Cb 0.60 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.94 1kmm n PRO 321 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1kmm s GLU 322 N 0.00 1.88 -0.97 0.54 2.12 -1.26 -4.95 118.70 116.06 1kmm s GLU 322 Ca 0.00 -2.87 -0.12 0.00 0.36 0.00 0.00 54.97 52.34 1kmm s GLU 322 Cb 0.00 -2.69 0.24 0.00 0.26 0.00 0.00 34.13 31.94 1kmm s GLU 322 CO 0.00 -1.32 0.96 0.12 -0.54 0.00 0.00 175.26 174.48 1kmm s PHE 323 N -0.87 3.94 0.13 5.30 5.36 -0.76 -5.02 117.98 126.07 1kmm s PHE 323 Ca 0.27 -2.27 -0.27 0.00 -0.96 0.00 0.00 56.93 53.70 1kmm s PHE 323 Cb -0.02 -3.87 -0.07 0.00 -0.34 0.00 0.00 43.02 38.72 1kmm s PHE 323 CO -0.17 -1.01 0.86 0.21 -1.46 0.00 0.00 175.22 173.64 1kmm s LYS 324 N -0.27 4.64 0.17 10.12 2.47 -1.26 -5.01 119.74 130.60 1kmm s LYS 324 Ca 0.25 1.28 0.03 0.00 -1.56 0.00 0.00 55.97 55.97 1kmm s LYS 324 Cb -0.09 -3.33 -0.03 0.00 -1.46 0.00 0.00 37.83 32.91 1kmm s LYS 324 CO -0.08 0.38 0.29 0.00 0.16 0.00 0.00 175.35 176.10 1kmm s ALA 325 N -0.51 3.93 0.59 3.13 0.00 -1.26 -5.10 121.76 122.53 1kmm s ALA 325 Ca 0.41 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1kmm s ALA 325 Cb -0.23 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1kmm s ALA 325 CO 0.27 0.46 1.08 0.16 0.00 0.00 0.00 175.76 177.74 1kmm s ASP 326 N -3.42 5.65 0.92 0.00 1.47 -1.26 -5.02 116.67 115.00 1kmm s ASP 326 Ca 0.34 1.95 -0.11 0.00 1.18 0.00 0.00 52.55 55.92 1kmm s ASP 326 Cb -0.10 -2.55 0.12 0.00 -0.34 0.00 0.00 42.92 40.05 1kmm s ASP 326 CO 0.28 -1.26 1.02 -2.65 0.68 0.00 0.00 175.17 173.24 1kmm n PRO 327 N -1.86 -0.39 0.12 2.11 -0.02 -1.26 -4.93 135.00 128.77 1kmm n PRO 327 Ca 0.10 -0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1kmm n PRO 327 Cb 0.52 -2.29 0.26 0.00 -0.02 0.00 0.00 33.50 31.97 1kmm n PRO 327 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1kmm h VAL 328 N -1.77 0.00 -3.33 -1.45 -1.51 -1.93 -3.45 116.25 102.82 1kmm h VAL 328 Ca -0.43 -0.65 -0.47 0.00 -1.23 0.00 0.00 66.70 63.92 1kmm h VAL 328 Cb 1.27 1.50 -0.36 0.00 -2.13 0.00 0.00 31.29 31.58 1kmm h VAL 328 CO 0.40 0.00 -0.79 -0.69 -1.23 0.00 0.00 177.57 175.26 1kmm s VAL 329 N -3.17 0.77 -0.22 7.19 1.01 -1.25 -4.85 120.40 119.88 1kmm s VAL 329 Ca 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1kmm s VAL 329 Cb 0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 1kmm s VAL 329 CO 0.66 0.30 -0.25 0.47 0.00 0.00 0.00 175.10 176.29 1kmm n ASP 330 N 4.48 1.92 -4.24 3.32 8.00 -0.02 -2.94 116.55 127.06 1kmm n ASP 330 Ca -0.17 0.39 -0.33 0.00 0.71 0.00 0.00 54.79 55.39 1kmm n ASP 330 Cb 0.51 -0.82 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 1kmm n ASP 330 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kmm s ILE 331 N -2.58 2.39 -0.15 0.53 1.09 0.12 -0.09 121.20 122.51 1kmm s ILE 331 Ca -0.31 -0.88 -0.04 0.00 -1.10 0.00 0.00 60.65 58.31 1kmm s ILE 331 Cb 0.09 -1.97 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 1kmm s ILE 331 CO 0.45 0.54 0.01 -0.47 -0.10 0.00 0.00 174.94 175.37 1kmm s TYR 332 N 0.62 3.14 -0.58 3.97 5.04 -0.64 -1.19 117.35 127.70 1kmm s TYR 332 Ca -0.10 -0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.34 1kmm s TYR 332 Cb -0.16 -1.95 0.15 0.00 0.35 0.00 0.00 41.96 40.34 1kmm s TYR 332 CO 0.03 0.16 0.51 -1.17 -1.34 0.00 0.00 175.55 173.74 1kmm s LEU 333 N 0.04 6.16 0.47 6.97 0.20 0.12 -2.16 118.68 130.47 1kmm s LEU 333 Ca 0.03 -2.02 -0.20 0.00 0.69 0.00 0.00 54.13 52.62 1kmm s LEU 333 Cb -0.13 -2.15 -0.09 0.00 -0.43 0.00 0.00 46.19 43.39 1kmm s LEU 333 CO 0.02 -0.75 1.02 -0.69 -0.29 0.00 0.00 176.35 175.66 1kmm s VAL 334 N 1.22 3.89 -0.30 1.68 1.01 -0.97 -2.16 120.40 124.78 1kmm s VAL 334 Ca 0.07 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 1kmm s VAL 334 Cb -0.25 -3.48 0.18 0.00 0.00 0.00 0.00 36.38 32.82 1kmm s VAL 334 CO -0.00 -0.25 1.14 0.00 0.00 0.00 0.00 175.10 175.99 1kmm s ALA 335 N -2.01 -3.90 0.03 5.51 0.00 -1.26 -1.37 121.76 118.76 1kmm s ALA 335 Ca 0.66 1.35 0.06 0.00 0.00 0.00 0.00 51.96 54.03 1kmm s ALA 335 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1kmm s ALA 335 CO 0.19 -1.69 -0.17 0.45 0.00 0.00 0.00 175.76 174.54 1kmm s SER 336 N 2.98 1.96 0.00 0.00 0.15 -1.22 -4.84 113.70 112.73 1kmm s SER 336 Ca 0.05 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1kmm s SER 336 Cb -0.07 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1kmm s SER 336 CO -0.13 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1kmm n GLY 337 N 2.00 2.91 3.61 9.45 0.00 -1.26 -3.90 105.19 118.00 1kmm n GLY 337 Ca -0.17 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1kmm n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmm s ALA 338 N -1.88 2.87 -1.64 4.61 0.00 -1.26 -2.75 121.76 121.71 1kmm s ALA 338 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1kmm s ALA 338 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1kmm s ALA 338 CO 0.00 -2.59 0.32 -0.25 0.00 0.00 0.00 175.76 173.23 1kmm n ASP 339 N 10.65 -5.95 0.05 0.00 9.92 -1.26 -4.91 116.55 125.06 1kmm n ASP 339 Ca 0.26 -0.16 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 1kmm n ASP 339 Cb 0.45 -4.86 -0.08 0.00 -0.64 0.00 0.00 41.12 35.99 1kmm n ASP 339 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1kmm h THR 340 N -0.72 1.32 -0.84 -3.53 2.02 -1.87 -3.36 112.91 105.93 1kmm h THR 340 Ca -0.51 -2.33 0.20 0.00 0.77 0.00 0.00 66.41 64.55 1kmm h THR 340 Cb 1.36 2.41 -0.13 0.00 -1.74 0.00 0.00 68.15 70.05 1kmm h THR 340 CO 0.57 0.71 0.27 1.56 0.37 0.00 0.00 175.52 178.99 1kmm h GLN 341 N 0.33 0.28 -0.38 6.66 1.08 -1.88 0.31 115.11 121.52 1kmm h GLN 341 Ca -0.11 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1kmm h GLN 341 Cb 1.67 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 29.01 1kmm h GLN 341 CO 0.19 0.19 0.04 1.03 -0.95 0.00 0.00 178.83 179.33 1kmm h SER 342 N 0.29 0.54 0.69 1.46 0.87 -2.00 0.13 113.55 115.54 1kmm h SER 342 Ca 0.51 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1kmm h SER 342 Cb 0.95 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1kmm h SER 342 CO -0.57 0.58 -0.33 0.00 -0.53 0.00 0.00 176.83 175.98 1kmm h ALA 343 N 1.49 -0.93 -0.53 6.23 0.00 -0.69 -1.57 119.26 123.26 1kmm h ALA 343 Ca 0.12 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1kmm h ALA 343 Cb 0.29 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1kmm h ALA 343 CO 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 179.25 178.31 1kmm h ALA 344 N -1.04 0.47 -0.14 0.00 0.00 -0.53 0.21 119.26 118.23 1kmm h ALA 344 Ca -0.10 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1kmm h ALA 344 Cb 0.74 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1kmm h ALA 344 CO 0.16 -0.40 -0.16 0.52 0.00 0.00 0.00 179.25 179.36 1kmm h MET 345 N 0.08 0.23 -0.06 0.00 2.86 -0.77 -0.09 114.93 117.19 1kmm h MET 345 Ca 0.27 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1kmm h MET 345 Cb 0.42 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1kmm h MET 345 CO -0.48 0.40 -0.39 0.00 1.06 0.00 0.00 176.91 177.50 1kmm h ALA 346 N 1.62 0.12 -0.79 6.32 0.00 0.01 -1.61 119.26 124.93 1kmm h ALA 346 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1kmm h ALA 346 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1kmm h ALA 346 CO 0.03 0.24 0.44 1.25 0.00 0.00 0.00 179.25 181.20 1kmm h LEU 347 N -0.14 0.98 -0.61 0.00 5.85 -0.51 -1.97 115.31 118.92 1kmm h LEU 347 Ca -0.03 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1kmm h LEU 347 Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1kmm h LEU 347 CO 0.08 0.79 0.40 0.00 -0.34 0.00 0.00 178.44 179.37 1kmm h ALA 348 N 1.37 0.77 -0.65 1.25 0.00 -0.92 -0.14 119.26 120.94 1kmm h ALA 348 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1kmm h ALA 348 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1kmm h ALA 348 CO -0.05 0.19 0.31 0.93 0.00 0.00 0.00 179.25 180.64 1kmm h GLU 349 N 0.81 0.94 0.25 0.00 4.39 -0.63 -1.89 114.58 118.46 1kmm h GLU 349 Ca 0.22 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1kmm h GLU 349 Cb -0.08 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1kmm h GLU 349 CO -0.05 0.75 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.33 1kmm h ARG 350 N 0.90 -0.33 -0.15 2.33 2.43 -0.82 -2.25 114.38 116.48 1kmm h ARG 350 Ca 0.22 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1kmm h ARG 350 Cb 0.12 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1kmm h ARG 350 CO -0.03 -0.18 0.16 -0.07 -1.51 0.00 0.00 179.97 178.34 1kmm h LEU 351 N -0.39 0.00 -0.11 3.80 3.38 -0.89 0.12 115.31 121.22 1kmm h LEU 351 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1kmm h LEU 351 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1kmm h LEU 351 CO 0.06 0.00 -0.99 0.03 0.09 0.00 0.00 178.44 177.62 1kmm h ARG 352 N 0.00 0.46 -0.40 1.13 3.08 -0.81 0.78 114.38 118.62 1kmm h ARG 352 Ca 0.07 -0.52 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 1kmm h ARG 352 Cb 0.40 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1kmm h ARG 352 CO -0.00 1.16 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.45 1kmm h ASP 353 N 0.25 0.76 0.57 7.04 3.32 -0.50 -3.08 116.42 124.78 1kmm h ASP 353 Ca -0.10 -0.25 -0.28 0.00 0.02 0.00 0.00 57.03 56.42 1kmm h ASP 353 Cb 1.64 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1kmm h ASP 353 CO 0.18 0.93 -1.43 -0.33 -1.72 0.00 0.00 179.24 176.87 1kmm h GLU 354 N 0.67 0.18 -2.29 3.56 5.08 -1.11 -3.38 114.58 117.30 1kmm h GLU 354 Ca 0.10 -0.31 -0.69 0.00 -1.00 0.00 0.00 59.36 57.46 1kmm h GLU 354 Cb 0.66 0.12 -0.35 0.00 0.50 0.00 0.00 28.75 29.67 1kmm h GLU 354 CO 0.05 1.04 0.15 1.28 -1.00 0.00 0.00 179.01 180.52 1kmm n LEU 355 N -3.40 5.80 -4.76 1.33 4.77 0.26 -5.05 117.00 115.95 1kmm n LEU 355 Ca -0.13 -5.53 -0.41 0.00 -0.03 0.00 0.00 56.01 49.91 1kmm n LEU 355 Cb 1.02 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1kmm n LEU 355 CO 0.50 2.19 1.16 -0.81 -1.33 0.00 0.00 177.39 179.09 1kmm n PRO 356 N -0.07 2.65 0.00 3.23 -0.04 -1.17 -2.20 135.00 137.40 1kmm n PRO 356 Ca 0.38 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.77 1kmm n PRO 356 Cb 0.33 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1kmm n PRO 356 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kmm n GLY 357 N 1.04 3.02 3.85 0.55 0.00 -1.26 -5.06 105.19 107.32 1kmm n GLY 357 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1kmm n GLY 357 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kmm s VAL 358 N -2.73 4.67 -0.40 1.61 -7.23 -0.93 -5.03 120.40 110.34 1kmm s VAL 358 Ca 0.00 0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 60.99 1kmm s VAL 358 Cb 0.00 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.34 1kmm s VAL 358 CO 0.00 -0.30 0.26 -0.54 -0.31 0.00 0.00 175.10 174.21 1kmm s LYS 359 N -3.25 2.82 -0.15 4.82 1.02 -1.26 -5.01 119.74 118.73 1kmm s LYS 359 Ca 0.55 -1.20 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1kmm s LYS 359 Cb -0.10 -3.84 0.01 0.00 -0.52 0.00 0.00 37.83 33.38 1kmm s LYS 359 CO 0.21 -0.81 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.44 1kmm s LEU 360 N 1.56 2.13 -0.19 3.17 0.20 -1.26 -0.70 118.68 123.59 1kmm s LEU 360 Ca 0.03 -0.61 -0.03 0.00 0.69 0.00 0.00 54.13 54.21 1kmm s LEU 360 Cb -0.21 -1.46 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1kmm s LEU 360 CO 0.06 0.06 -0.06 -0.32 -0.29 0.00 0.00 176.35 175.81 1kmm s MET 361 N 0.92 3.44 -0.26 1.98 -2.45 -0.33 -4.99 119.30 117.61 1kmm s MET 361 Ca -0.04 -0.61 -0.24 0.00 -1.25 0.00 0.00 55.69 53.55 1kmm s MET 361 Cb -0.15 -2.93 -0.01 0.00 1.25 0.00 0.00 34.83 32.99 1kmm s MET 361 CO -0.04 -0.04 0.79 0.99 1.05 0.00 0.00 175.02 177.76 1kmm s THR 362 N 1.07 4.86 0.68 10.11 2.01 -1.26 -0.71 115.64 132.39 1kmm s THR 362 Ca 0.01 1.42 -0.17 0.00 0.31 0.00 0.00 61.69 63.26 1kmm s THR 362 Cb -0.15 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1kmm s THR 362 CO -0.00 -0.08 1.28 0.21 -0.69 0.00 0.00 174.62 175.33 1kmm s ASN 363 N 1.41 4.43 0.16 3.53 2.47 -0.92 -4.93 114.94 121.10 1kmm s ASN 363 Ca 0.33 2.57 -0.01 0.00 0.42 0.00 0.00 52.86 56.16 1kmm s ASN 363 Cb -0.15 -2.61 -0.04 0.00 -1.45 0.00 0.00 41.25 37.00 1kmm s ASN 363 CO 0.08 -2.12 0.10 -1.00 -3.72 0.00 0.00 177.10 170.44 1kmm s HIS 364 N -1.54 0.96 -0.83 0.43 3.76 -1.26 -4.91 115.29 111.90 1kmm s HIS 364 Ca 0.81 -1.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1kmm s HIS 364 Cb -0.36 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 32.85 1kmm s HIS 364 CO 0.41 -0.58 0.58 0.41 -0.85 0.00 0.00 174.74 174.71 1kmm n GLY 365 N -0.17 0.05 7.00 -2.22 0.00 -1.26 -4.86 105.19 103.73 1kmm n GLY 365 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1kmm n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 366 N -1.32 1.00 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.56 1kmm n GLY 366 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1kmm n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 367 N 0.00 2.92 3.86 -0.02 0.00 -1.26 -4.89 105.19 105.80 1kmm n GLY 367 Ca 0.00 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 1kmm n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kmm s ASN 368 N 0.00 6.43 0.48 1.61 2.20 -1.26 -4.82 114.94 119.59 1kmm s ASN 368 Ca 0.00 1.44 0.31 0.00 -0.94 0.00 0.00 52.86 53.67 1kmm s ASN 368 Cb 0.00 -2.46 1.41 0.00 -2.00 0.00 0.00 41.25 38.20 1kmm s ASN 368 CO 0.00 -0.69 1.75 -0.26 -2.94 0.00 0.00 177.10 174.96 1kmm h PHE 369 N 0.38 0.28 -0.20 1.54 0.04 -1.98 0.21 116.94 117.21 1kmm h PHE 369 Ca -0.46 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 1kmm h PHE 369 Cb 1.19 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 1kmm h PHE 369 CO 0.64 -0.01 0.07 -0.22 -0.60 0.00 0.00 178.31 178.19 1kmm h LYS 370 N 0.13 0.30 0.53 1.51 3.64 -1.99 0.26 116.57 120.95 1kmm h LYS 370 Ca 0.64 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.93 1kmm h LYS 370 Cb 2.19 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.97 1kmm h LYS 370 CO -0.15 0.39 -0.26 0.87 -2.27 0.00 0.00 179.45 178.03 1kmm h LYS 371 N 0.15 -0.69 -0.64 1.90 1.57 -0.97 -2.88 116.57 115.01 1kmm h LYS 371 Ca 0.06 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1kmm h LYS 371 Cb 0.21 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1kmm h LYS 371 CO -0.00 -0.42 0.25 1.96 -0.57 0.00 0.00 179.45 180.66 1kmm h GLN 372 N -0.80 0.42 -0.42 3.15 4.20 -1.33 -0.50 115.11 119.83 1kmm h GLN 372 Ca -0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1kmm h GLN 372 Cb 0.59 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1kmm h GLN 372 CO 0.12 0.28 0.22 0.74 -0.67 0.00 0.00 178.83 179.52 1kmm h PHE 373 N 0.43 0.55 -0.20 2.96 0.04 -0.92 -0.52 116.94 119.29 1kmm h PHE 373 Ca 0.32 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.06 1kmm h PHE 373 Cb 0.40 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1kmm h PHE 373 CO -0.16 0.39 0.00 0.00 -0.60 0.00 0.00 178.31 177.94 1kmm h ALA 374 N 1.67 0.26 -0.89 2.45 0.00 -1.04 -1.93 119.26 119.79 1kmm h ALA 374 Ca 0.15 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1kmm h ALA 374 Cb 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1kmm h ALA 374 CO -0.02 -0.02 0.58 0.00 0.00 0.00 0.00 179.25 179.78 1kmm h ARG 375 N 0.10 0.97 -0.45 0.00 3.08 -0.23 -0.16 114.38 117.69 1kmm h ARG 375 Ca 0.06 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1kmm h ARG 375 Cb 0.39 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1kmm h ARG 375 CO 0.01 0.64 0.28 0.00 -1.07 0.00 0.00 179.97 179.84 1kmm h ALA 376 N 1.52 0.58 -0.69 0.04 0.00 -0.61 -1.94 119.26 118.16 1kmm h ALA 376 Ca 0.38 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1kmm h ALA 376 Cb 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1kmm h ALA 376 CO -0.14 -0.01 0.41 -0.44 0.00 0.00 0.00 179.25 179.07 1kmm h ASP 377 N 0.57 0.66 -0.44 0.00 3.32 -0.33 -1.51 116.42 118.70 1kmm h ASP 377 Ca 0.17 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.32 1kmm h ASP 377 Cb -0.02 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.33 1kmm h ASP 377 CO -0.06 0.44 -0.02 0.50 -1.72 0.00 0.00 179.24 178.38 1kmm h LYS 378 N 0.79 0.08 0.00 3.56 3.64 -0.43 -0.74 116.57 123.48 1kmm h LYS 378 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1kmm h LYS 378 Cb 0.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1kmm h LYS 378 CO -0.14 0.05 0.00 0.91 -2.27 0.00 0.00 179.45 178.01 1kmm n TRP 379 N -5.23 0.65 -1.90 1.91 7.02 -0.84 -4.92 117.44 114.14 1kmm n TRP 379 Ca 0.04 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.71 1kmm n TRP 379 Cb 0.23 -0.82 0.00 0.00 -2.42 0.00 0.00 31.31 28.30 1kmm n TRP 379 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1kmm n GLY 380 N 1.16 0.47 3.75 6.99 0.00 -0.28 -3.96 105.19 113.31 1kmm n GLY 380 Ca 0.05 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1kmm n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmm s ALA 381 N -2.01 3.49 -0.19 4.61 0.00 -1.02 -4.66 121.76 121.97 1kmm s ALA 381 Ca 0.00 1.08 0.19 0.00 0.00 0.00 0.00 51.96 53.24 1kmm s ALA 381 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1kmm s ALA 381 CO 0.00 -0.47 1.02 0.00 0.00 0.00 0.00 175.76 176.31 1kmm h ARG 382 N 4.62 0.00 -4.74 0.00 3.08 -0.70 -3.45 114.38 113.20 1kmm h ARG 382 Ca -0.46 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.30 1kmm h ARG 382 Cb 1.22 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.07 1kmm h ARG 382 CO 0.72 0.18 -0.74 0.08 -1.07 0.00 0.00 179.97 179.15 1kmm s VAL 383 N -3.11 0.69 -0.06 2.04 1.01 -1.12 -1.07 120.40 118.78 1kmm s VAL 383 Ca -0.01 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.70 1kmm s VAL 383 Cb 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1kmm s VAL 383 CO 0.79 -0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.38 1kmm s ALA 384 N -1.77 0.96 -0.42 5.51 0.00 0.14 -1.63 121.76 124.56 1kmm s ALA 384 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1kmm s ALA 384 Cb -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.52 1kmm s ALA 384 CO -0.00 -0.09 0.28 0.14 0.00 0.00 0.00 175.76 176.09 1kmm s VAL 385 N 1.08 4.73 0.26 0.00 -7.23 -0.92 0.15 120.40 118.47 1kmm s VAL 385 Ca -0.08 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.80 1kmm s VAL 385 Cb -0.14 -3.76 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 1kmm s VAL 385 CO -0.01 -0.41 0.86 -0.69 -0.31 0.00 0.00 175.10 174.54 1kmm s VAL 386 N 1.56 4.30 -0.45 1.32 1.01 0.87 -2.28 120.40 126.72 1kmm s VAL 386 Ca 0.03 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.78 1kmm s VAL 386 Cb -0.22 -4.06 0.17 0.00 0.00 0.00 0.00 36.38 32.27 1kmm s VAL 386 CO 0.06 0.29 0.35 -0.22 0.00 0.00 0.00 175.10 175.58 1kmm s LEU 387 N -1.71 1.85 0.00 3.92 2.96 -0.47 -1.51 118.68 123.72 1kmm s LEU 387 Ca 0.44 -3.11 -0.02 0.00 -0.22 0.00 0.00 54.13 51.22 1kmm s LEU 387 Cb -0.20 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 45.92 1kmm s LEU 387 CO 0.25 -0.17 0.22 0.61 -1.32 0.00 0.00 176.35 175.94 1kmm n GLY 388 N 2.81 -0.81 0.19 7.98 0.00 -1.26 -3.39 105.19 110.70 1kmm n GLY 388 Ca 0.27 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1kmm n GLY 388 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kmm h GLU 389 N 0.00 0.20 0.69 1.61 5.08 -1.95 -2.92 114.58 117.29 1kmm h GLU 389 Ca -0.07 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1kmm h GLU 389 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1kmm h GLU 389 CO 0.06 0.63 -0.33 0.77 -1.00 0.00 0.00 179.01 179.13 1kmm h SER 390 N 0.17 -0.78 -1.24 1.42 0.02 -1.95 -3.02 113.55 108.17 1kmm h SER 390 Ca 0.01 -0.00 0.36 0.00 -0.84 0.00 0.00 61.79 61.32 1kmm h SER 390 Cb 0.89 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 1kmm h SER 390 CO 0.07 -0.43 0.84 -0.33 -1.14 0.00 0.00 176.83 175.83 1kmm h GLU 391 N -1.15 0.16 -0.04 3.45 3.07 -1.83 0.47 114.58 118.71 1kmm h GLU 391 Ca -0.09 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1kmm h GLU 391 Cb 0.74 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1kmm h GLU 391 CO 0.16 0.11 -0.01 0.28 -1.40 0.00 0.00 179.01 178.14 1kmm h VAL 392 N 0.16 1.31 0.21 3.13 2.07 -1.44 -1.60 116.25 120.09 1kmm h VAL 392 Ca 0.68 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1kmm h VAL 392 Cb 2.21 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 1kmm h VAL 392 CO -0.22 0.25 -0.10 0.00 0.02 0.00 0.00 177.57 177.52 1kmm h ALA 393 N 0.63 -0.28 0.00 1.67 0.00 -0.10 -2.99 119.26 118.19 1kmm h ALA 393 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kmm h ALA 393 Cb 0.41 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kmm h ALA 393 CO 0.00 -0.54 0.00 0.09 0.00 0.00 0.00 179.25 178.81 1kmm n ASN 394 N -5.11 0.00 -1.03 0.00 3.02 0.49 -4.86 115.26 107.77 1kmm n ASN 394 Ca -0.09 -0.46 -0.13 0.00 -0.03 0.00 0.00 54.58 53.86 1kmm n ASN 394 Cb 0.21 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1kmm n ASN 394 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kmm n GLY 395 N 0.06 1.37 0.00 7.41 0.00 -0.74 -4.98 105.19 108.31 1kmm n GLY 395 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1kmm n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kmm n THR 396 N -2.46 0.00 -3.64 2.61 -2.24 -0.68 -2.42 114.28 105.45 1kmm n THR 396 Ca -0.13 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1kmm n THR 396 Cb 0.51 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1kmm n THR 396 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kmm s ALA 397 N -2.00 -1.93 -0.17 6.98 0.00 -0.49 -4.53 121.76 119.63 1kmm s ALA 397 Ca 0.00 2.01 -0.19 0.00 0.00 0.00 0.00 51.96 53.78 1kmm s ALA 397 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1kmm s ALA 397 CO 0.00 -0.29 0.52 0.08 0.00 0.00 0.00 175.76 176.07 1kmm s VAL 398 N 0.51 5.12 -0.45 0.00 1.01 -0.57 -1.33 120.40 124.69 1kmm s VAL 398 Ca -0.00 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 1kmm s VAL 398 Cb -0.05 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1kmm s VAL 398 CO -0.06 0.22 0.38 -0.69 0.00 0.00 0.00 175.10 174.95 1kmm s VAL 399 N 1.29 5.22 -0.33 2.92 1.01 0.16 -0.09 120.40 130.58 1kmm s VAL 399 Ca 0.26 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1kmm s VAL 399 Cb -0.15 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1kmm s VAL 399 CO 0.10 -0.50 0.23 -0.75 0.00 0.00 0.00 175.10 174.18 1kmm s LYS 400 N 1.72 3.50 -0.58 2.72 2.20 0.12 -1.54 119.74 127.89 1kmm s LYS 400 Ca 0.05 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 54.75 1kmm s LYS 400 Cb -0.22 -3.78 0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1kmm s LYS 400 CO 0.08 -0.43 1.17 0.34 -0.36 0.00 0.00 175.35 176.15 1kmm s ASP 401 N 1.71 6.44 0.43 1.43 -1.08 -1.16 -0.68 116.67 123.76 1kmm s ASP 401 Ca 0.06 0.07 0.09 0.00 -0.52 0.00 0.00 52.55 52.24 1kmm s ASP 401 Cb -0.17 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.67 1kmm s ASP 401 CO 0.10 -1.45 2.07 -0.07 0.52 0.00 0.00 175.17 176.34 1kmm h LEU 402 N 11.82 0.39 -0.97 -1.34 3.38 -1.43 0.65 115.31 127.81 1kmm h LEU 402 Ca -0.25 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1kmm h LEU 402 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1kmm h LEU 402 CO 1.18 0.29 -0.47 0.03 0.09 0.00 0.00 178.44 179.56 1kmm h ARG 403 N 0.46 0.10 0.00 1.13 3.08 -1.90 -3.32 114.38 113.93 1kmm h ARG 403 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1kmm h ARG 403 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1kmm h ARG 403 CO -0.03 0.55 0.00 -1.13 -1.07 0.00 0.00 179.97 178.30 1kmm n SER 404 N -3.98 0.23 0.00 7.04 3.41 -1.02 -5.03 113.62 114.28 1kmm n SER 404 Ca -0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1kmm n SER 404 Cb 0.50 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 1kmm n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kmm n GLY 405 N 0.73 2.92 3.57 5.00 0.00 0.22 -4.96 105.19 112.68 1kmm n GLY 405 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1kmm n GLY 405 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kmm s GLU 406 N 0.00 2.69 0.15 1.61 -1.05 -1.25 -4.62 118.70 116.23 1kmm s GLU 406 Ca 0.00 1.16 0.03 0.00 -0.15 0.00 0.00 54.97 56.02 1kmm s GLU 406 Cb 0.00 -4.40 -0.04 0.00 -0.44 0.00 0.00 34.13 29.26 1kmm s GLU 406 CO 0.00 -2.62 0.23 1.14 0.95 0.00 0.00 175.26 174.96 1kmm s GLN 407 N 6.99 3.24 0.06 -4.83 -2.07 -1.26 -2.98 119.66 118.81 1kmm s GLN 407 Ca 0.82 -0.69 -0.04 0.00 -1.82 0.00 0.00 55.36 53.62 1kmm s GLN 407 Cb -0.18 -2.85 -0.02 0.00 -1.09 0.00 0.00 33.01 28.87 1kmm s GLN 407 CO 0.27 0.51 0.07 0.95 -1.32 0.00 0.00 175.29 175.76 1kmm s THR 408 N -1.74 0.17 -0.23 3.63 -4.23 -0.59 -4.95 115.64 107.70 1kmm s THR 408 Ca 0.33 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.32 1kmm s THR 408 Cb -0.11 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1kmm s THR 408 CO 0.27 -0.79 0.13 0.00 -0.54 0.00 0.00 174.62 173.68 1kmm s ALA 409 N -3.55 3.49 0.08 3.99 0.00 -1.26 0.41 121.76 124.91 1kmm s ALA 409 Ca 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1kmm s ALA 409 Cb 0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1kmm s ALA 409 CO -0.09 -0.17 -0.18 0.08 0.00 0.00 0.00 175.76 175.41 1kmm s VAL 410 N 1.01 1.43 0.45 0.00 1.01 -0.44 -4.95 120.40 118.90 1kmm s VAL 410 Ca 0.06 -1.36 -0.24 0.00 0.00 0.00 0.00 61.98 60.44 1kmm s VAL 410 Cb -0.14 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1kmm s VAL 410 CO 0.04 -0.08 1.21 0.00 0.00 0.00 0.00 175.10 176.26 1kmm s ALA 411 N -1.13 3.04 0.55 5.51 0.00 -1.26 -1.39 121.76 127.08 1kmm s ALA 411 Ca 0.03 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.24 1kmm s ALA 411 Cb -0.10 -3.42 1.47 0.00 0.00 0.00 0.00 23.12 21.08 1kmm s ALA 411 CO 0.03 -0.73 2.15 1.96 0.00 0.00 0.00 175.76 179.17 1kmm h GLN 412 N 2.22 0.00 0.00 0.00 4.20 -1.76 -0.14 115.11 119.63 1kmm h GLN 412 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1kmm h GLN 412 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1kmm h GLN 412 CO 0.61 0.00 0.00 -0.44 -0.67 0.00 0.00 178.83 178.33 1kmm h ASP 413 N 0.00 0.00 -0.01 1.46 3.32 -1.90 -3.08 116.42 116.21 1kmm h ASP 413 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kmm h ASP 413 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1kmm h ASP 413 CO -0.00 0.00 -0.07 -1.20 -1.72 0.00 0.00 179.24 176.25 1kmm n SER 414 N -2.38 1.85 -0.08 6.45 7.64 -0.09 -4.63 113.62 122.38 1kmm n SER 414 Ca 0.02 -1.42 -0.11 0.00 1.01 0.00 0.00 58.87 58.37 1kmm n SER 414 Cb 0.27 0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 1kmm n SER 414 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1kmm h VAL 415 N 2.15 1.20 -0.56 0.44 -1.51 -1.41 -1.34 116.25 115.22 1kmm h VAL 415 Ca 0.00 -0.66 0.11 0.00 -1.23 0.00 0.00 66.70 64.93 1kmm h VAL 415 Cb 0.49 1.18 -0.11 0.00 -2.13 0.00 0.00 31.29 30.72 1kmm h VAL 415 CO 0.00 0.21 -0.16 0.00 -1.23 0.00 0.00 177.57 176.39 1kmm h ALA 416 N 0.89 0.34 -0.74 5.19 0.00 -1.82 0.64 119.26 123.76 1kmm h ALA 416 Ca 0.08 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1kmm h ALA 416 Cb 0.26 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1kmm h ALA 416 CO -0.00 -0.45 0.34 0.00 0.00 0.00 0.00 179.25 179.14 1kmm h ALA 417 N 1.52 1.20 -0.46 0.00 0.00 -1.82 -0.50 119.26 119.20 1kmm h ALA 417 Ca 0.27 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1kmm h ALA 417 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1kmm h ALA 417 CO -0.59 0.60 0.03 1.25 0.00 0.00 0.00 179.25 180.54 1kmm h HIS 418 N 1.06 0.86 0.06 0.00 6.17 0.12 -2.95 115.15 120.48 1kmm h HIS 418 Ca 0.26 -0.14 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 1kmm h HIS 418 Cb 0.13 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 29.83 1kmm h HIS 418 CO 0.01 0.82 -0.03 -0.07 0.71 0.00 0.00 177.93 179.38 1kmm h LEU 419 N 0.65 -0.06 -0.98 0.26 3.38 -0.02 -2.67 115.31 115.87 1kmm h LEU 419 Ca 0.13 -0.19 0.40 0.00 0.09 0.00 0.00 57.88 58.31 1kmm h LEU 419 Cb 0.46 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.05 1kmm h LEU 419 CO 0.02 0.15 0.49 -1.14 0.09 0.00 0.00 178.44 178.05 1kmm n ARG 420 N -5.03 -0.06 -0.02 1.13 3.00 -0.23 -0.47 116.66 114.99 1kmm n ARG 420 Ca -0.08 1.36 -0.16 0.00 -0.00 0.00 0.00 57.85 58.97 1kmm n ARG 420 Cb 0.14 -2.42 -0.13 0.00 0.00 0.00 0.00 32.46 30.06 1kmm n ARG 420 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1kmm h THR 421 N 0.00 1.60 -0.35 5.15 2.02 -1.34 -2.91 112.91 117.09 1kmm h THR 421 Ca 0.81 -2.20 0.10 0.00 0.77 0.00 0.00 66.41 65.89 1kmm h THR 421 Cb 2.12 3.03 -0.01 0.00 -1.74 0.00 0.00 68.15 71.55 1kmm h THR 421 CO -0.77 0.60 0.27 -0.07 0.37 0.00 0.00 175.52 175.92 1kmm h LEU 422 N -0.58 0.00 0.00 2.58 3.38 -0.44 -2.26 115.31 117.99 1kmm h LEU 422 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1kmm h LEU 422 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1kmm h LEU 422 CO 0.07 0.00 -1.31 0.18 0.09 0.00 0.00 178.44 177.46 1kmm n LEU 423 N -4.28 0.63 0.00 1.67 4.77 -0.65 -5.08 117.00 114.05 1kmm n LEU 423 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1kmm n LEU 423 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1kmm n LEU 423 CO 0.34 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.92