#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2res s ALA 2 N 0.00 2.54 0.54 -5.12 0.00 -1.26 -5.04 121.76 113.41 2res s ALA 2 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 2res s ALA 2 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 2res s ALA 2 CO 0.00 0.55 0.94 0.00 0.00 0.00 0.00 175.76 177.25 2res s ALA 3 N -0.69 3.17 -0.18 0.00 0.00 -0.85 -4.99 121.76 118.22 2res s ALA 3 Ca 0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 2res s ALA 3 Cb -0.10 -2.97 0.11 0.00 0.00 0.00 0.00 23.12 20.16 2res s ALA 3 CO 0.00 -0.40 0.92 0.50 0.00 0.00 0.00 175.76 176.78 2res s ARG 4 N -4.57 0.69 0.04 0.00 3.52 -1.26 -2.66 118.95 114.70 2res s ARG 4 Ca 0.55 0.35 0.07 0.00 -0.13 0.00 0.00 55.73 56.56 2res s ARG 4 Cb -0.10 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 2res s ARG 4 CO 0.42 -0.18 -0.19 0.95 -0.81 0.00 0.00 175.30 175.49 2res s THR 5 N -0.67 1.54 -0.23 4.11 -4.23 -0.26 -4.97 115.64 110.94 2res s THR 5 Ca -0.02 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2res s THR 5 Cb -0.02 -1.34 0.08 0.00 1.34 0.00 0.00 72.50 72.56 2res s THR 5 CO 0.01 0.19 0.14 -0.62 -0.54 0.00 0.00 174.62 173.80 2res s ASP 6 N -1.09 2.63 0.00 3.99 -1.08 -1.26 -1.56 116.67 118.30 2res s ASP 6 Ca 0.06 -0.83 0.05 0.00 -0.52 0.00 0.00 52.55 51.32 2res s ASP 6 Cb -0.08 -0.15 -0.02 0.00 -1.46 0.00 0.00 42.92 41.21 2res s ASP 6 CO 0.01 -0.38 -0.17 0.20 0.52 0.00 0.00 175.17 175.35 2res s ASN 7 N 2.16 1.97 0.12 -0.34 0.01 -0.61 -4.99 114.94 113.26 2res s ASN 7 Ca 0.06 -0.35 0.05 0.00 -0.71 0.00 0.00 52.86 51.90 2res s ASN 7 Cb -0.16 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.27 2res s ASN 7 CO -0.22 0.17 -0.12 -0.44 -1.51 0.00 0.00 177.10 174.99 2res s SER 8 N -0.61 1.77 -0.11 -1.22 0.01 -1.26 -0.05 113.70 112.22 2res s SER 8 Ca 0.06 -0.86 -0.29 0.00 1.31 0.00 0.00 55.95 56.17 2res s SER 8 Cb -0.07 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.20 2res s SER 8 CO -0.00 -0.23 0.70 -0.51 0.41 0.00 0.00 173.24 173.61 2res s ILE 9 N -2.51 0.00 -0.18 1.44 2.07 -0.29 -5.00 121.20 116.74 2res s ILE 9 Ca 0.10 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 2res s ILE 9 Cb -0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 2res s ILE 9 CO 0.02 0.00 0.06 -0.69 -1.91 0.00 0.00 174.94 172.42 2res s VAL 10 N -0.75 4.82 -0.21 4.00 1.01 -1.26 -0.25 120.40 127.77 2res s VAL 10 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2res s VAL 10 Cb -0.01 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2res s VAL 10 CO 0.07 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.92 2res s VAL 11 N 0.25 3.52 -1.13 2.92 1.01 0.97 -4.93 120.40 123.01 2res s VAL 11 Ca 0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2res s VAL 11 Cb -0.12 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2res s VAL 11 CO 0.00 0.43 2.24 0.59 0.00 0.00 0.00 175.10 178.37 2res n ASN 12 N 4.55 4.72 -3.68 3.32 5.03 -1.26 0.02 115.26 127.95 2res n ASN 12 Ca -0.18 -2.59 -0.10 0.00 0.87 0.00 0.00 54.58 52.58 2res n ASN 12 Cb 0.51 -1.31 -0.04 0.00 -1.02 0.00 0.00 39.78 37.91 2res n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2res s ALA 13 N 3.59 -0.88 0.86 5.41 0.00 -1.25 -4.88 121.76 124.60 2res s ALA 13 Ca 0.52 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2res s ALA 13 Cb 0.14 0.76 0.11 0.00 0.00 0.00 0.00 23.12 24.13 2res s ALA 13 CO -0.01 -0.70 1.11 -2.14 0.00 0.00 0.00 175.76 174.02 2res s PRO 14 N -3.84 1.55 0.11 0.00 0.02 -1.26 -2.81 135.00 128.77 2res s PRO 14 Ca 0.06 1.23 -0.21 0.00 0.02 0.00 0.00 61.00 62.09 2res s PRO 14 Cb 0.01 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 2res s PRO 14 CO -0.08 -2.16 1.74 0.35 -0.33 0.00 0.00 177.00 176.52 2res h PHE 15 N -1.51 0.03 -0.72 6.54 3.57 -1.96 -2.68 116.94 120.21 2res h PHE 15 Ca -0.45 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.21 2res h PHE 15 Cb 1.26 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.89 2res h PHE 15 CO 0.52 0.01 0.15 1.49 -2.23 0.00 0.00 178.31 178.25 2res h GLU 16 N 0.06 0.24 -0.16 1.11 4.57 -1.99 0.31 114.58 118.72 2res h GLU 16 Ca 0.05 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2res h GLU 16 Cb 0.04 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2res h GLU 16 CO -0.07 0.16 -0.19 1.25 -1.18 0.00 0.00 179.01 178.98 2res h LEU 17 N 0.25 0.44 -0.85 1.64 5.85 -1.92 -1.63 115.31 119.09 2res h LEU 17 Ca 0.40 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2res h LEU 17 Cb 0.67 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2res h LEU 17 CO -0.51 0.85 0.54 0.58 -0.34 0.00 0.00 178.44 179.56 2res h VAL 18 N 0.05 1.11 -0.14 1.05 2.07 -1.00 -1.73 116.25 117.66 2res h VAL 18 Ca 0.02 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2res h VAL 18 Cb 0.74 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2res h VAL 18 CO 0.05 0.19 -0.04 -0.25 0.02 0.00 0.00 177.57 177.53 2res h TRP 19 N 1.04 0.31 -0.26 1.57 2.91 -0.37 -2.75 115.95 118.40 2res h TRP 19 Ca 0.35 -0.07 -0.08 0.00 1.13 0.00 0.00 58.89 60.21 2res h TRP 19 Cb 0.05 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2res h TRP 19 CO -0.02 0.58 -0.20 -0.44 -1.03 0.00 0.00 178.44 177.32 2res h ASP 20 N -0.05 0.46 0.40 2.65 3.32 -1.05 -1.88 116.42 120.26 2res h ASP 20 Ca 0.03 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2res h ASP 20 Cb 0.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2res h ASP 20 CO 0.02 0.67 -0.19 0.58 -1.72 0.00 0.00 179.24 178.59 2res h VAL 21 N 0.42 0.32 -0.49 -1.35 2.07 -1.36 -2.95 116.25 112.91 2res h VAL 21 Ca 0.07 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2res h VAL 21 Cb 0.59 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2res h VAL 21 CO 0.04 0.07 0.33 0.71 0.02 0.00 0.00 177.57 178.74 2res h THR 22 N -1.03 1.09 -0.00 2.57 1.35 -1.52 -2.17 112.91 113.20 2res h THR 22 Ca -0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2res h THR 22 Cb 0.53 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2res h THR 22 CO 0.09 0.11 -0.08 0.59 -0.25 0.00 0.00 175.52 175.99 2res n ASN 23 N -4.47 0.57 -4.55 5.36 3.02 -0.71 -4.59 115.26 109.90 2res n ASN 23 Ca 0.05 -0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 53.36 2res n ASN 23 Cb 0.09 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 2res n ASN 23 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2res s ASP 24 N -2.31 6.80 0.26 6.41 2.15 -0.82 -4.85 116.67 124.30 2res s ASP 24 Ca 0.34 -2.31 -0.04 0.00 0.43 0.00 0.00 52.55 50.96 2res s ASP 24 Cb 0.20 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.83 2res s ASP 24 CO 0.43 -1.16 1.63 0.40 -0.17 0.00 0.00 175.17 176.31 2res h ILE 25 N 5.68 0.30 0.00 4.11 1.08 -1.85 0.19 117.51 127.01 2res h ILE 25 Ca 0.35 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.78 2res h ILE 25 Cb 0.91 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2res h ILE 25 CO 1.39 0.02 0.00 -0.62 -0.69 0.00 0.00 178.15 178.25 2res n GLU 26 N -5.33 0.04 0.00 2.37 1.02 -1.26 -1.21 120.64 116.27 2res n GLU 26 Ca 0.16 0.31 0.09 0.00 -0.02 0.00 0.00 57.16 57.71 2res n GLU 26 Cb 0.55 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2res n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2res n ALA 27 N -1.37 3.46 -0.14 0.62 0.00 0.05 -4.53 120.51 118.60 2res n ALA 27 Ca 0.02 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.03 2res n ALA 27 Cb 0.05 -0.66 0.51 0.00 0.00 0.00 0.00 19.45 19.34 2res n ALA 27 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2res h TRP 28 N 1.84 0.46 0.00 0.00 4.06 -1.20 0.24 115.95 121.35 2res h TRP 28 Ca 0.00 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2res h TRP 28 Cb 0.62 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2res h TRP 28 CO 0.00 0.19 -0.03 -1.35 -3.56 0.00 0.00 178.44 173.68 2res h PRO 29 N 0.40 0.00 0.03 0.49 0.11 -1.80 0.34 132.00 131.57 2res h PRO 29 Ca 0.34 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.12 2res h PRO 29 Cb 0.77 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 2res h PRO 29 CO -0.10 0.03 -1.95 0.39 -0.21 0.00 0.00 178.00 176.16 2res n GLU 30 N -3.38 0.67 0.11 1.05 4.71 0.74 -4.46 120.64 120.08 2res n GLU 30 Ca -0.02 0.22 -0.24 0.00 -0.01 0.00 0.00 57.16 57.11 2res n GLU 30 Cb 0.16 -1.71 -0.15 0.00 -1.01 0.00 0.00 31.44 28.73 2res n GLU 30 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2res h LEU 31 N 0.01 0.75 -9.18 -4.62 3.38 -0.63 -3.45 115.31 101.57 2res h LEU 31 Ca -0.39 -0.93 -0.62 0.00 0.09 0.00 0.00 57.88 56.03 2res h LEU 31 Cb 2.06 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 42.42 2res h LEU 31 CO 0.06 1.75 -0.55 -0.36 0.09 0.00 0.00 178.44 179.42 2res s PHE 32 N -2.59 3.29 0.18 1.13 0.40 0.11 -4.60 117.98 115.91 2res s PHE 32 Ca -0.12 0.15 0.30 0.00 -0.60 0.00 0.00 56.93 56.66 2res s PHE 32 Cb 0.05 -2.05 1.29 0.00 0.51 0.00 0.00 43.02 42.82 2res s PHE 32 CO 0.90 0.25 1.97 0.66 0.70 0.00 0.00 175.22 179.70 2res h SER 33 N 6.39 0.00 1.28 1.36 4.64 -1.86 -3.18 113.55 122.18 2res h SER 33 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2res h SER 33 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2res h SER 33 CO 0.69 0.09 -0.52 1.05 -0.87 0.00 0.00 176.83 177.26 2res h GLU 34 N 0.00 0.00 -5.42 4.77 9.09 -1.93 -3.45 114.58 117.64 2res h GLU 34 Ca -0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 2res h GLU 34 Cb 0.54 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.53 2res h GLU 34 CO 0.01 0.00 -0.40 0.71 0.05 0.00 0.00 179.01 179.38 2res s TYR 35 N -3.24 3.45 -0.16 2.06 2.02 -1.20 -0.66 117.35 119.62 2res s TYR 35 Ca 0.05 0.49 0.09 0.00 -0.37 0.00 0.00 57.07 57.32 2res s TYR 35 Cb 0.10 -2.24 -0.23 0.00 -0.40 0.00 0.00 41.96 39.19 2res s TYR 35 CO 0.72 0.30 0.20 0.00 -1.57 0.00 0.00 175.55 175.19 2res n ALA 36 N 3.41 1.38 -2.72 3.71 0.00 0.99 -4.35 120.51 122.95 2res n ALA 36 Ca -0.14 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.18 2res n ALA 36 Cb 0.52 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 2res n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2res s GLU 37 N -2.54 0.46 -0.29 0.00 2.02 -0.59 -4.85 118.70 112.91 2res s GLU 37 Ca -0.17 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 53.88 2res s GLU 37 Cb 0.07 0.02 0.12 0.00 0.10 0.00 0.00 34.13 34.45 2res s GLU 37 CO 0.77 -0.04 0.71 0.00 0.02 0.00 0.00 175.26 176.72 2res s ALA 38 N -2.10 -2.08 -0.09 5.21 0.00 -1.26 -2.05 121.76 119.40 2res s ALA 38 Ca -0.08 2.34 -0.07 0.00 0.00 0.00 0.00 51.96 54.15 2res s ALA 38 Cb -0.05 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.39 2res s ALA 38 CO -0.03 -0.75 0.22 -1.83 0.00 0.00 0.00 175.76 173.37 2res s GLU 39 N 2.42 0.24 -0.10 0.00 -1.05 -0.52 -4.54 118.70 115.15 2res s GLU 39 Ca -0.07 0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 2res s GLU 39 Cb -0.09 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.64 2res s GLU 39 CO -0.19 -0.06 1.18 0.42 0.95 0.00 0.00 175.26 177.56 2res s ILE 40 N 0.38 4.36 -0.08 1.83 1.01 -1.26 -0.52 121.20 126.92 2res s ILE 40 Ca -0.02 1.67 -0.13 0.00 0.00 0.00 0.00 60.65 62.16 2res s ILE 40 Cb -0.04 -4.07 -0.29 0.00 0.01 0.00 0.00 42.46 38.07 2res s ILE 40 CO -0.02 -0.05 0.60 -0.07 0.00 0.00 0.00 174.94 175.40 2res h LEU 41 N 8.66 0.49 -7.32 2.97 3.38 -1.14 -3.48 115.31 118.87 2res h LEU 41 Ca -0.31 -0.90 0.07 0.00 0.09 0.00 0.00 57.88 56.83 2res h LEU 41 Cb 1.14 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 2res h LEU 41 CO 0.91 1.71 0.33 0.00 0.09 0.00 0.00 178.44 181.48 2res s ARG 42 N -2.53 1.25 -0.07 1.13 1.70 -1.20 -5.02 118.95 114.22 2res s ARG 42 Ca -0.18 -0.57 0.04 0.00 -0.47 0.00 0.00 55.73 54.55 2res s ARG 42 Cb 0.05 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 2res s ARG 42 CO 0.81 -0.56 -0.20 -0.65 -1.08 0.00 0.00 175.30 173.62 2res s GLN 43 N -3.54 2.75 -0.61 3.89 -1.52 -1.26 -2.05 119.66 117.31 2res s GLN 43 Ca 0.06 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.71 2res s GLN 43 Cb -0.02 -2.31 0.23 0.00 -0.22 0.00 0.00 33.01 30.68 2res s GLN 43 CO -0.05 0.38 0.64 -0.40 -0.25 0.00 0.00 175.29 175.61 2res n ASP 44 N 2.97 2.92 0.00 5.90 5.68 -0.08 -4.98 116.55 128.96 2res n ASP 44 Ca -0.18 -3.24 0.00 0.00 -0.50 0.00 0.00 54.79 50.87 2res n ASP 44 Cb 0.52 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 2res n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2res n GLY 45 N 1.28 0.67 3.52 6.12 0.00 -1.26 -3.60 105.19 111.92 2res n GLY 45 Ca 0.26 0.65 -0.43 0.00 0.00 0.00 0.00 46.02 46.50 2res n GLY 45 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2res s ASP 46 N -4.00 6.89 0.00 1.61 -4.77 -1.26 -4.87 116.67 110.27 2res s ASP 46 Ca 0.00 -2.56 0.00 0.00 -3.30 0.00 0.00 52.55 46.69 2res s ASP 46 Cb 0.00 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.34 2res s ASP 46 CO 0.00 -1.01 0.00 0.61 0.70 0.00 0.00 175.17 175.47 2res n GLY 47 N 4.99 1.65 3.51 2.12 0.00 -1.24 -4.80 105.19 111.43 2res n GLY 47 Ca 0.40 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 2res n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2res s PHE 48 N -1.37 -0.36 -0.01 1.61 -0.12 -0.26 -0.90 117.98 116.56 2res s PHE 48 Ca 0.00 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 2res s PHE 48 Cb 0.00 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2res s PHE 48 CO 0.00 -0.64 0.01 -0.51 -0.05 0.00 0.00 175.22 174.04 2res s ASP 49 N -2.58 5.20 0.04 1.98 1.01 -0.87 -0.54 116.67 120.91 2res s ASP 49 Ca 0.05 0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.34 2res s ASP 49 Cb -0.01 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.50 2res s ASP 49 CO -0.09 0.29 -0.04 0.72 0.21 0.00 0.00 175.17 176.27 2res s PHE 50 N -1.08 0.41 -0.12 4.23 -0.71 -0.24 -0.50 117.98 119.97 2res s PHE 50 Ca 0.19 -0.71 -0.05 0.00 -1.04 0.00 0.00 56.93 55.32 2res s PHE 50 Cb -0.12 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2res s PHE 50 CO 0.10 -0.24 0.05 0.50 -1.34 0.00 0.00 175.22 174.29 2res s ARG 51 N -2.35 3.36 -0.03 1.99 3.52 0.32 -0.89 118.95 124.88 2res s ARG 51 Ca -0.07 -0.32 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2res s ARG 51 Cb -0.04 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 2res s ARG 51 CO -0.04 0.61 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.39 2res s LEU 52 N -0.60 1.96 -0.07 -0.88 1.43 -0.48 -1.44 118.68 118.60 2res s LEU 52 Ca 0.11 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2res s LEU 52 Cb -0.12 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.26 2res s LEU 52 CO 0.02 0.17 -0.04 -0.75 0.23 0.00 0.00 176.35 175.98 2res s LYS 53 N -0.16 0.94 0.68 1.70 2.20 -0.87 -1.66 119.74 122.57 2res s LYS 53 Ca 0.01 -0.07 -0.09 0.00 -0.36 0.00 0.00 55.97 55.46 2res s LYS 53 Cb -0.09 -1.08 0.03 0.00 -1.51 0.00 0.00 37.83 35.19 2res s LYS 53 CO 0.01 -0.20 1.02 0.95 -0.36 0.00 0.00 175.35 176.77 2res s THR 54 N 1.47 3.11 0.64 3.43 -4.23 0.08 -0.00 115.64 120.13 2res s THR 54 Ca -0.02 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 2res s THR 54 Cb -0.13 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.43 2res s THR 54 CO -0.03 -0.36 0.95 -0.13 -0.54 0.00 0.00 174.62 174.50 2res s ARG 55 N -5.24 2.56 0.24 3.99 0.52 0.16 -4.41 118.95 116.77 2res s ARG 55 Ca 0.58 -0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 2res s ARG 55 Cb -0.11 -2.23 -0.13 0.00 0.52 0.00 0.00 34.95 33.00 2res s ARG 55 CO 0.48 -0.96 1.48 -2.30 0.02 0.00 0.00 175.30 174.01 2res n PRO 56 N -2.74 2.20 0.00 3.54 -0.02 -1.26 -4.66 135.00 132.07 2res n PRO 56 Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2res n PRO 56 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2res n PRO 56 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2res n ASP 57 N 2.39 -0.00 0.26 2.55 5.68 -0.80 -4.71 116.55 121.93 2res n ASP 57 Ca 0.12 -0.68 0.16 0.00 -0.50 0.00 0.00 54.79 53.89 2res n ASP 57 Cb 0.32 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.17 2res n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2res h ALA 58 N -2.00 1.06 -0.20 2.12 0.00 -1.93 0.13 119.26 118.44 2res h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2res h ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2res h ALA 58 CO 0.00 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.28 2res n ASN 59 N -2.67 2.50 -0.01 0.00 3.02 -1.26 -4.98 115.26 111.87 2res n ASN 59 Ca -0.02 -1.93 -0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2res n ASN 59 Cb 0.12 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2res n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2res n GLY 60 N 0.19 0.47 3.75 7.41 0.00 0.45 -5.03 105.19 112.43 2res n GLY 60 Ca 0.07 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2res n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2res s ARG 61 N -0.33 4.28 -0.16 1.61 6.06 -1.26 -4.52 118.95 124.62 2res s ARG 61 Ca 0.00 0.51 -0.14 0.00 -2.50 0.00 0.00 55.73 53.60 2res s ARG 61 Cb 0.00 -3.38 -0.05 0.00 0.06 0.00 0.00 34.95 31.58 2res s ARG 61 CO 0.00 0.28 0.29 0.08 -2.50 0.00 0.00 175.30 173.45 2res s VAL 62 N 0.20 5.31 0.18 7.11 1.01 -1.26 -1.90 120.40 131.05 2res s VAL 62 Ca 0.27 0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.88 2res s VAL 62 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2res s VAL 62 CO 0.12 0.39 -0.14 0.26 0.00 0.00 0.00 175.10 175.73 2res s TRP 63 N 0.49 2.53 -0.09 5.22 0.52 -1.26 -4.96 118.94 121.38 2res s TRP 63 Ca 0.16 -0.27 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 2res s TRP 63 Cb -0.13 -1.24 0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2res s TRP 63 CO 0.04 0.51 0.29 -2.00 0.02 0.00 0.00 176.95 175.81 2res s GLU 64 N -2.76 0.42 0.19 4.98 2.12 -1.26 -0.74 118.70 121.65 2res s GLU 64 Ca 0.23 0.26 -0.23 0.00 0.36 0.00 0.00 54.97 55.59 2res s GLU 64 Cb -0.09 0.20 0.05 0.00 0.26 0.00 0.00 34.13 34.55 2res s GLU 64 CO 0.13 -0.07 0.80 1.67 -0.54 0.00 0.00 175.26 177.25 2res s TRP 65 N -0.20 -0.23 -0.06 5.30 -2.14 -0.66 -5.01 118.94 115.94 2res s TRP 65 Ca -0.03 -0.11 0.03 0.00 2.66 0.00 0.00 56.10 58.64 2res s TRP 65 Cb -0.03 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 30.96 2res s TRP 65 CO 0.01 -0.98 -0.13 0.08 -2.66 0.00 0.00 176.95 173.27 2res s VAL 66 N -3.60 3.12 0.33 -0.66 1.01 -1.26 -1.39 120.40 117.95 2res s VAL 66 Ca 0.10 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2res s VAL 66 Cb -0.03 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 2res s VAL 66 CO 0.01 0.58 0.04 -0.44 0.00 0.00 0.00 175.10 175.30 2res s SER 67 N -0.58 2.59 -0.06 3.32 0.01 -0.07 -0.45 113.70 118.46 2res s SER 67 Ca 0.08 -1.36 0.02 0.00 1.31 0.00 0.00 55.95 56.00 2res s SER 67 Cb -0.11 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.00 2res s SER 67 CO 0.01 -0.57 -0.10 -2.28 0.41 0.00 0.00 173.24 170.72 2res s HIS 68 N -3.20 1.27 0.16 2.43 2.46 -0.47 -1.08 115.29 116.86 2res s HIS 68 Ca 0.36 -0.45 0.09 0.00 0.47 0.00 0.00 55.06 55.52 2res s HIS 68 Cb 0.09 -0.97 -0.04 0.00 -0.13 0.00 0.00 32.58 31.53 2res s HIS 68 CO 0.15 -0.26 -0.19 0.00 -2.47 0.00 0.00 174.74 171.98 2res s ALA 69 N 0.76 2.02 -0.39 1.58 0.00 0.29 -1.58 121.76 124.44 2res s ALA 69 Ca -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.37 2res s ALA 69 Cb -0.15 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 22.92 2res s ALA 69 CO 0.02 0.26 0.27 0.08 0.00 0.00 0.00 175.76 176.39 2res s VAL 70 N -1.95 0.32 0.37 0.00 1.01 0.11 -1.10 120.40 119.15 2res s VAL 70 Ca 0.15 -2.18 -0.24 0.00 0.00 0.00 0.00 61.98 59.70 2res s VAL 70 Cb -0.06 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 2res s VAL 70 CO 0.07 -1.09 0.97 -2.16 0.00 0.00 0.00 175.10 172.89 2res s PRO 71 N 0.57 4.40 -0.47 2.72 0.04 -1.26 -2.51 135.00 138.49 2res s PRO 71 Ca 0.24 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2res s PRO 71 Cb -0.11 -2.60 0.16 0.00 0.04 0.00 0.00 34.50 31.99 2res s PRO 71 CO -0.08 0.10 0.34 0.34 0.04 0.00 0.00 177.00 177.74 2res s ASP 72 N -1.72 2.79 0.26 6.66 2.15 0.74 -4.88 116.67 122.66 2res s ASP 72 Ca 0.55 -3.05 -0.01 0.00 0.43 0.00 0.00 52.55 50.46 2res s ASP 72 Cb -0.17 -0.81 0.50 0.00 -0.30 0.00 0.00 42.92 42.13 2res s ASP 72 CO 0.22 -0.19 1.79 0.50 -0.17 0.00 0.00 175.17 177.33 2res h LYS 73 N 5.96 0.73 -0.93 4.34 3.64 -1.96 -1.29 116.57 127.06 2res h LYS 73 Ca 0.16 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.67 2res h LYS 73 Cb 0.89 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 2res h LYS 73 CO 0.46 0.49 0.59 0.78 -2.27 0.00 0.00 179.45 179.50 2res h GLY 74 N 0.76 1.26 -2.24 5.01 0.00 -1.94 -0.24 103.07 105.67 2res h GLY 74 Ca 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2res h GLY 74 CO -0.30 0.03 0.00 1.44 0.00 0.00 0.00 176.54 177.70 2res n SER 75 N -4.59 3.84 -3.97 0.19 7.64 -0.61 -4.98 113.62 111.14 2res n SER 75 Ca 0.19 -2.20 -0.31 0.00 1.01 0.00 0.00 58.87 57.56 2res n SER 75 Cb 0.56 -0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2res n SER 75 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2res n ARG 76 N 0.96 -2.04 -3.68 1.43 1.74 -0.10 -4.91 116.66 110.05 2res n ARG 76 Ca 0.20 0.32 -0.11 0.00 -0.77 0.00 0.00 57.85 57.49 2res n ARG 76 Cb 0.65 -4.01 -0.06 0.00 -1.02 0.00 0.00 32.46 28.03 2res n ARG 76 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2res s THR 77 N -3.86 0.07 -0.09 0.55 -1.32 -1.07 -2.27 115.64 107.65 2res s THR 77 Ca 0.17 -0.59 -0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2res s THR 77 Cb -0.07 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 2res s THR 77 CO 0.91 -0.32 0.21 0.54 -2.21 0.00 0.00 174.62 173.75 2res s VAL 78 N -3.02 -0.03 0.07 5.08 0.11 -0.53 -0.19 120.40 121.89 2res s VAL 78 Ca -0.02 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2res s VAL 78 Cb 0.00 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 2res s VAL 78 CO -0.06 0.05 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.43 2res s ARG 79 N 0.98 1.92 0.22 1.54 1.81 -1.04 -1.22 118.95 123.16 2res s ARG 79 Ca -0.07 -1.07 -0.20 0.00 -1.72 0.00 0.00 55.73 52.67 2res s ARG 79 Cb -0.09 -2.13 0.03 0.00 -0.45 0.00 0.00 34.95 32.32 2res s ARG 79 CO -0.06 0.51 0.62 0.00 -0.68 0.00 0.00 175.30 175.69 2res s ALA 80 N -0.98 -1.18 -0.07 2.13 0.00 -0.67 0.07 121.76 121.06 2res s ALA 80 Ca 0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 2res s ALA 80 Cb -0.10 0.87 0.10 0.00 0.00 0.00 0.00 23.12 23.99 2res s ALA 80 CO 0.06 -0.89 0.84 -3.38 0.00 0.00 0.00 175.76 172.39 2res s HIS 81 N -3.87 -0.47 0.37 0.00 -3.43 -0.61 -0.39 115.29 106.88 2res s HIS 81 Ca 0.09 0.69 -0.26 0.00 -0.80 0.00 0.00 55.06 54.78 2res s HIS 81 Cb -0.03 0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 2res s HIS 81 CO -0.01 -0.51 1.11 1.03 -2.00 0.00 0.00 174.74 174.36 2res s ARG 82 N -1.74 4.23 -0.25 -0.38 0.52 -0.54 -1.36 118.95 119.42 2res s ARG 82 Ca -0.03 1.71 -0.12 0.00 -0.52 0.00 0.00 55.73 56.76 2res s ARG 82 Cb -0.00 -2.75 -0.15 0.00 0.52 0.00 0.00 34.95 32.57 2res s ARG 82 CO 0.01 -0.13 -0.17 0.28 0.02 0.00 0.00 175.30 175.31 2res n VAL 83 N 0.28 1.54 -3.30 3.52 0.31 0.40 -4.61 118.33 116.47 2res n VAL 83 Ca 0.03 -0.37 -0.46 0.00 -0.01 0.00 0.00 64.34 63.53 2res n VAL 83 Cb 0.47 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 2res n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2res s GLU 84 N -2.49 3.20 0.49 5.55 2.02 -1.04 -4.94 118.70 121.49 2res s GLU 84 Ca -0.35 -1.94 0.33 0.00 0.02 0.00 0.00 54.97 53.03 2res s GLU 84 Cb 0.11 -4.35 1.68 0.00 0.10 0.00 0.00 34.13 31.68 2res s GLU 84 CO 0.55 -1.33 2.01 1.79 0.02 0.00 0.00 175.26 178.30 2res h THR 85 N 5.53 0.00 0.00 3.63 1.35 -1.83 -3.41 112.91 118.18 2res h THR 85 Ca -0.16 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2res h THR 85 Cb 1.08 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2res h THR 85 CO 0.95 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 2res n GLY 86 N -0.77 3.92 0.04 5.82 0.00 -1.26 -1.38 105.19 111.55 2res n GLY 86 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2res n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2res n PRO 87 N 13.81 0.31 -3.26 1.61 -0.04 -1.26 -4.86 135.00 141.31 2res n PRO 87 Ca 0.00 -0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.04 2res n PRO 87 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2res n PRO 87 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2res s PHE 88 N -2.74 3.53 0.15 0.54 0.08 -0.48 -1.62 117.98 117.43 2res s PHE 88 Ca 0.21 1.13 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 2res s PHE 88 Cb 0.19 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2res s PHE 88 CO 0.52 0.30 1.36 0.00 -0.10 0.00 0.00 175.22 177.31 2res h ALA 89 N 3.05 0.47 -1.65 5.36 0.00 -0.13 -3.43 119.26 122.92 2res h ALA 89 Ca -0.48 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 53.81 2res h ALA 89 Cb 1.18 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2res h ALA 89 CO 0.66 0.81 0.49 1.52 0.00 0.00 0.00 179.25 182.74 2res s TYR 90 N -3.38 -0.41 -0.18 0.00 -0.85 -1.24 -4.95 117.35 106.34 2res s TYR 90 Ca -0.05 0.69 -0.05 0.00 -0.52 0.00 0.00 57.07 57.14 2res s TYR 90 Cb 0.10 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.95 2res s TYR 90 CO 0.85 -0.39 0.12 1.41 -1.52 0.00 0.00 175.55 176.02 2res s MET 91 N -1.19 0.09 0.09 -3.49 1.75 -1.26 -3.01 119.30 112.28 2res s MET 91 Ca -0.03 -0.01 0.04 0.00 -1.25 0.00 0.00 55.69 54.44 2res s MET 91 Cb -0.00 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.94 2res s MET 91 CO 0.03 -0.66 0.03 -0.80 -0.65 0.00 0.00 175.02 172.96 2res s ASN 92 N 2.18 5.22 -0.02 1.11 0.02 0.10 -1.47 114.94 122.08 2res s ASN 92 Ca 0.03 -0.12 0.02 0.00 -1.02 0.00 0.00 52.86 51.77 2res s ASN 92 Cb -0.16 -1.30 0.01 0.00 0.02 0.00 0.00 41.25 39.82 2res s ASN 92 CO -0.10 0.17 -0.05 -0.22 0.02 0.00 0.00 177.10 176.92 2res s LEU 93 N -2.38 1.69 -0.06 0.60 0.20 0.48 -1.36 118.68 117.85 2res s LEU 93 Ca 0.27 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 2res s LEU 93 Cb -0.12 -0.38 0.03 0.00 -0.43 0.00 0.00 46.19 45.30 2res s LEU 93 CO 0.20 0.02 0.06 -2.28 -0.29 0.00 0.00 176.35 174.06 2res s HIS 94 N 0.33 0.12 -0.01 5.38 2.46 0.73 -1.68 115.29 122.63 2res s HIS 94 Ca -0.04 0.16 0.06 0.00 0.47 0.00 0.00 55.06 55.71 2res s HIS 94 Cb -0.08 -0.53 -0.03 0.00 -0.13 0.00 0.00 32.58 31.81 2res s HIS 94 CO -0.00 -0.24 -0.18 -1.58 -2.47 0.00 0.00 174.74 170.27 2res s TRP 95 N 2.15 2.56 0.05 3.88 0.51 -0.36 -0.40 118.94 127.34 2res s TRP 95 Ca 0.05 -0.26 0.02 0.00 -2.12 0.00 0.00 56.10 53.79 2res s TRP 95 Cb -0.12 -1.53 -0.03 0.00 -0.81 0.00 0.00 33.47 30.98 2res s TRP 95 CO -0.04 0.17 -0.07 0.95 -0.51 0.00 0.00 176.95 177.45 2res s THR 96 N -0.79 0.51 -0.06 2.01 -4.23 -0.70 -1.45 115.64 110.92 2res s THR 96 Ca 0.12 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2res s THR 96 Cb -0.10 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.00 2res s THR 96 CO 0.02 -0.48 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.19 2res s TYR 97 N -1.79 1.37 -0.04 3.99 1.51 -0.96 -1.53 117.35 119.90 2res s TYR 97 Ca -0.07 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2res s TYR 97 Cb -0.07 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.77 2res s TYR 97 CO -0.01 -0.26 -0.10 0.50 -1.11 0.00 0.00 175.55 174.57 2res s ARG 98 N 0.65 1.26 0.09 -0.62 3.52 -0.62 -4.87 118.95 118.36 2res s ARG 98 Ca -0.14 -0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 54.80 2res s ARG 98 Cb -0.15 -1.12 -0.07 0.00 -1.56 0.00 0.00 34.95 32.05 2res s ARG 98 CO 0.03 0.08 1.28 0.00 -0.81 0.00 0.00 175.30 175.88 2res s ALA 99 N 0.39 3.48 0.36 6.12 0.00 -1.26 -0.48 121.76 130.36 2res s ALA 99 Ca -0.07 0.97 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2res s ALA 99 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2res s ALA 99 CO 0.02 -0.50 0.11 0.14 0.00 0.00 0.00 175.76 175.53 2res s VAL 100 N 1.00 0.69 -0.31 0.00 -7.23 -0.66 -4.91 120.40 108.99 2res s VAL 100 Ca 0.61 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.49 2res s VAL 100 Cb -0.33 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2res s VAL 100 CO 0.30 0.00 1.85 0.00 -0.31 0.00 0.00 175.10 176.94 2res s ALA 101 N -3.35 2.87 0.00 1.32 0.00 -1.26 -2.47 121.76 118.87 2res s ALA 101 Ca 0.30 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2res s ALA 101 Cb 0.05 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2res s ALA 101 CO 0.15 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.71 2res n GLY 102 N 5.44 2.09 0.00 0.00 0.00 -1.26 -4.99 105.19 106.48 2res n GLY 102 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2res n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2res n GLY 103 N 0.00 1.94 2.93 -0.02 0.00 -1.03 -3.88 105.19 105.12 2res n GLY 103 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2res n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2res s THR 104 N 0.96 0.69 -0.25 2.61 2.01 0.10 -1.66 115.64 120.10 2res s THR 104 Ca 0.00 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2res s THR 104 Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2res s THR 104 CO 0.00 0.26 0.45 -0.70 -0.69 0.00 0.00 174.62 173.94 2res s GLU 105 N 0.81 4.07 -0.17 4.92 2.12 0.37 -0.02 118.70 130.80 2res s GLU 105 Ca -0.12 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.34 2res s GLU 105 Cb -0.15 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2res s GLU 105 CO 0.01 -0.27 0.11 -1.64 -0.54 0.00 0.00 175.26 172.93 2res s MET 106 N 2.06 3.90 -0.13 4.30 -1.94 0.66 -1.59 119.30 126.57 2res s MET 106 Ca 0.19 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 2res s MET 106 Cb -0.16 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.42 2res s MET 106 CO 0.09 0.43 -0.13 0.50 -0.01 0.00 0.00 175.02 175.90 2res s ARG 107 N -0.03 2.05 -0.20 2.03 3.52 -0.58 -1.13 118.95 124.61 2res s ARG 107 Ca 0.09 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 2res s ARG 107 Cb -0.12 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2res s ARG 107 CO 0.00 -0.20 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.66 2res s TRP 108 N 1.41 2.95 -0.12 5.12 0.52 0.93 -1.73 118.94 128.02 2res s TRP 108 Ca 0.02 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.35 2res s TRP 108 Cb -0.13 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.13 2res s TRP 108 CO -0.08 -0.44 -0.19 0.08 0.02 0.00 0.00 176.95 176.34 2res s VAL 109 N 1.19 2.45 -0.10 4.03 1.01 0.47 -1.58 120.40 127.87 2res s VAL 109 Ca 0.02 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2res s VAL 109 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2res s VAL 109 CO -0.01 0.54 -0.23 -1.10 0.00 0.00 0.00 175.10 174.31 2res s GLN 110 N 0.44 3.03 -0.10 2.72 -0.21 -0.60 -0.19 119.66 124.73 2res s GLN 110 Ca -0.14 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.40 2res s GLN 110 Cb -0.17 -2.33 0.02 0.00 1.00 0.00 0.00 33.01 31.53 2res s GLN 110 CO 0.06 0.21 -0.13 -1.21 -2.12 0.00 0.00 175.29 172.11 2res s GLU 111 N 0.27 1.97 0.34 2.91 2.02 -0.47 -1.10 118.70 124.64 2res s GLU 111 Ca -0.16 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 2res s GLU 111 Cb -0.17 -1.75 0.04 0.00 0.10 0.00 0.00 34.13 32.35 2res s GLU 111 CO 0.08 -0.11 0.73 -0.59 0.02 0.00 0.00 175.26 175.39 2res s PHE 112 N 1.13 0.08 -0.19 1.61 -0.71 -1.09 0.02 117.98 118.83 2res s PHE 112 Ca -0.04 -0.64 -0.11 0.00 -1.04 0.00 0.00 56.93 55.10 2res s PHE 112 Cb -0.14 0.71 0.06 0.00 -1.21 0.00 0.00 43.02 42.44 2res s PHE 112 CO -0.03 -1.41 0.47 0.34 -1.34 0.00 0.00 175.22 173.25 2res s ASP 113 N -3.02 -0.60 0.36 1.98 2.15 -1.16 -2.00 116.67 114.37 2res s ASP 113 Ca 0.15 1.02 -0.26 0.00 0.43 0.00 0.00 52.55 53.89 2res s ASP 113 Cb -0.05 0.90 -0.09 0.00 -0.30 0.00 0.00 42.92 43.38 2res s ASP 113 CO 0.10 -0.20 1.08 -0.04 -0.17 0.00 0.00 175.17 175.94 2res s MET 114 N 1.39 4.30 0.24 4.34 -1.94 -1.26 0.57 119.30 126.94 2res s MET 114 Ca -0.09 1.64 -0.30 0.00 -1.71 0.00 0.00 55.69 55.23 2res s MET 114 Cb -0.07 -2.76 -0.09 0.00 2.01 0.00 0.00 34.83 33.92 2res s MET 114 CO -0.14 -0.05 1.16 0.15 -0.01 0.00 0.00 175.02 176.14 2res s LYS 115 N -2.14 4.55 -0.02 2.03 1.02 -0.64 -4.61 119.74 119.92 2res s LYS 115 Ca 0.54 1.88 -0.31 0.00 0.02 0.00 0.00 55.97 58.10 2res s LYS 115 Cb -0.26 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 33.76 2res s LYS 115 CO 0.33 0.04 2.00 -0.35 -0.92 0.00 0.00 175.35 176.45 2res n PRO 116 N 1.71 2.62 0.00 -1.68 -0.04 -1.26 -1.19 135.00 135.16 2res n PRO 116 Ca 0.01 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2res n PRO 116 Cb 0.44 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 2res n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2res n GLY 117 N 4.73 1.05 3.78 0.55 0.00 -1.26 -5.10 105.19 108.94 2res n GLY 117 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2res n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2res s ALA 118 N -2.00 2.67 0.63 4.61 0.00 -0.34 -4.91 121.76 122.42 2res s ALA 118 Ca 0.00 0.66 0.34 0.00 0.00 0.00 0.00 51.96 52.96 2res s ALA 118 Cb 0.00 -3.32 1.89 0.00 0.00 0.00 0.00 23.12 21.69 2res s ALA 118 CO 0.00 -0.84 2.16 -1.35 0.00 0.00 0.00 175.76 175.73 2res h PRO 119 N 0.84 0.00 -6.80 0.00 0.11 -1.93 -3.41 132.00 120.81 2res h PRO 119 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 2res h PRO 119 Cb 1.25 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.12 2res h PRO 119 CO 0.57 0.00 -0.87 -0.06 -0.21 0.00 0.00 178.00 177.43 2res s PHE 120 N -4.41 2.26 0.39 0.65 0.40 -1.26 -5.11 117.98 110.91 2res s PHE 120 Ca -0.05 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 2res s PHE 120 Cb 0.13 -1.26 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 2res s PHE 120 CO 0.46 0.27 0.41 0.16 0.70 0.00 0.00 175.22 177.23 2res s ASP 121 N -1.83 5.37 0.13 1.36 -4.77 -1.26 -4.86 116.67 110.81 2res s ASP 121 Ca 0.13 -0.53 -0.33 0.00 -3.30 0.00 0.00 52.55 48.52 2res s ASP 121 Cb -0.10 -0.78 -0.11 0.00 -1.09 0.00 0.00 42.92 40.84 2res s ASP 121 CO 0.05 -0.58 1.54 0.78 0.70 0.00 0.00 175.17 177.66 2res h ASN 122 N 0.97 -1.81 -0.54 2.11 -0.26 -1.99 -1.36 115.58 112.70 2res h ASN 122 Ca -0.42 0.23 0.11 0.00 -0.56 0.00 0.00 56.30 55.65 2res h ASN 122 Cb 1.27 0.73 -0.10 0.00 -1.06 0.00 0.00 38.32 39.16 2res h ASN 122 CO 0.54 -0.42 -0.11 0.00 -1.06 0.00 0.00 177.43 176.38 2res h ALA 123 N -0.14 0.39 -0.39 -0.83 0.00 -1.99 0.22 119.26 116.53 2res h ALA 123 Ca 0.06 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2res h ALA 123 Cb 0.61 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2res h ALA 123 CO -0.54 -0.43 -0.19 0.45 0.00 0.00 0.00 179.25 178.54 2res h HIS 124 N 0.02 0.83 -0.44 0.00 3.86 -1.90 -2.30 115.15 115.22 2res h HIS 124 Ca 0.26 -0.17 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 2res h HIS 124 Cb 0.41 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2res h HIS 124 CO -0.43 0.87 -0.25 1.98 0.86 0.00 0.00 177.93 180.97 2res h MET 125 N 0.66 0.94 -0.35 2.45 -1.53 -0.39 -1.89 114.93 114.82 2res h MET 125 Ca 0.10 -0.43 0.04 0.00 -3.44 0.00 0.00 59.70 55.97 2res h MET 125 Cb 0.68 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.67 2res h MET 125 CO 0.05 1.09 0.13 1.15 0.14 0.00 0.00 176.91 179.46 2res h THR 126 N 0.77 0.91 -0.24 -0.77 2.02 -0.42 0.30 112.91 115.48 2res h THR 126 Ca 0.09 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2res h THR 126 Cb 0.82 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2res h THR 126 CO 0.07 0.05 0.13 0.00 0.37 0.00 0.00 175.52 176.14 2res h ALA 127 N 1.22 0.31 -0.25 6.16 0.00 -1.33 -1.15 119.26 124.22 2res h ALA 127 Ca 0.16 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2res h ALA 127 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2res h ALA 127 CO -0.15 -0.15 -0.04 1.25 0.00 0.00 0.00 179.25 180.16 2res h HIS 128 N 0.28 -0.09 -0.61 0.00 6.17 -0.85 -1.57 115.15 118.46 2res h HIS 128 Ca 0.08 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.12 2res h HIS 128 Cb 0.08 0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 2res h HIS 128 CO -0.03 -0.09 0.12 -0.07 0.71 0.00 0.00 177.93 178.57 2res h LEU 129 N 0.02 0.92 -0.20 0.26 3.38 -0.80 -1.75 115.31 117.14 2res h LEU 129 Ca 0.12 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2res h LEU 129 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2res h LEU 129 CO -0.24 0.91 0.09 0.78 0.09 0.00 0.00 178.44 180.07 2res h ASN 130 N 0.93 0.12 0.15 -0.43 -0.26 -0.81 0.18 115.58 115.47 2res h ASN 130 Ca 0.19 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.95 2res h ASN 130 Cb 0.37 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 2res h ASN 130 CO 0.01 0.10 -0.16 0.74 -1.06 0.00 0.00 177.43 177.05 2res h THR 131 N 0.20 0.64 -0.32 2.81 2.02 -1.02 -1.33 112.91 115.91 2res h THR 131 Ca 0.08 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 2res h THR 131 Cb 0.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2res h THR 131 CO -0.07 0.00 -0.25 0.71 0.37 0.00 0.00 175.52 176.28 2res h THR 132 N -0.35 1.27 -0.39 3.16 1.35 -1.17 -2.59 112.91 114.20 2res h THR 132 Ca 0.01 -1.34 -0.05 0.00 -0.55 0.00 0.00 66.41 64.48 2res h THR 132 Cb 0.34 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2res h THR 132 CO -0.05 0.44 0.06 0.74 -0.25 0.00 0.00 175.52 176.45 2res h THR 133 N 0.56 1.24 -0.77 6.82 2.02 -0.51 -1.59 112.91 120.67 2res h THR 133 Ca 0.08 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.40 2res h THR 133 Cb 0.73 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2res h THR 133 CO 0.06 0.30 0.50 0.03 0.37 0.00 0.00 175.52 176.78 2res h ARG 134 N 0.49 0.98 -0.54 6.66 3.08 -1.15 0.94 114.38 124.84 2res h ARG 134 Ca 0.12 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2res h ARG 134 Cb 0.38 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2res h ARG 134 CO 0.01 0.65 0.06 0.00 -1.07 0.00 0.00 179.97 179.62 2res h ALA 135 N 1.30 0.71 -0.49 0.04 0.00 -1.31 -2.32 119.26 117.19 2res h ALA 135 Ca 0.29 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2res h ALA 135 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2res h ALA 135 CO -0.08 0.48 -0.20 -0.91 0.00 0.00 0.00 179.25 178.54 2res h ASN 136 N 0.79 1.02 -0.64 0.00 2.35 -0.76 -1.57 115.58 116.78 2res h ASN 136 Ca 0.16 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 2res h ASN 136 Cb 0.45 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2res h ASN 136 CO 0.02 1.18 0.22 0.24 -1.65 0.00 0.00 177.43 177.44 2res h MET 137 N 0.87 0.98 -0.55 0.81 2.86 -0.77 0.14 114.93 119.27 2res h MET 137 Ca 0.12 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 2res h MET 137 Cb 0.77 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2res h MET 137 CO 0.06 0.84 -0.08 0.93 1.06 0.00 0.00 176.91 179.73 2res h GLU 138 N 0.91 1.02 0.28 1.72 5.08 -1.34 -0.80 114.58 121.45 2res h GLU 138 Ca 0.21 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2res h GLU 138 Cb 0.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2res h GLU 138 CO -0.01 1.05 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.82 2res h ARG 139 N 0.90 -0.37 -0.48 2.33 2.43 -0.95 -2.39 114.38 115.85 2res h ARG 139 Ca 0.14 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2res h ARG 139 Cb 0.64 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2res h ARG 139 CO 0.04 -0.14 0.32 0.82 -1.51 0.00 0.00 179.97 179.50 2res h ILE 140 N -0.53 1.03 -0.09 1.20 2.04 -0.70 -2.04 117.51 118.41 2res h ILE 140 Ca -0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2res h ILE 140 Cb 0.39 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2res h ILE 140 CO 0.06 0.09 -0.05 0.50 0.00 0.00 0.00 178.15 178.76 2res h LYS 141 N 0.50 -0.04 -0.55 2.37 3.64 -0.76 -0.78 116.57 120.94 2res h LYS 141 Ca 0.20 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2res h LYS 141 Cb 0.16 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2res h LYS 141 CO -0.05 -0.03 0.27 0.87 -2.27 0.00 0.00 179.45 178.25 2res h LYS 142 N -0.04 0.79 -0.22 1.90 1.57 -0.90 -1.84 116.57 117.83 2res h LYS 142 Ca 0.05 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2res h LYS 142 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2res h LYS 142 CO -0.12 0.64 0.08 0.82 -0.57 0.00 0.00 179.45 180.31 2res h ILE 143 N 0.75 0.96 -0.59 1.86 2.04 -1.08 0.51 117.51 121.96 2res h ILE 143 Ca 0.19 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2res h ILE 143 Cb 0.11 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2res h ILE 143 CO -0.03 0.04 0.12 0.40 0.00 0.00 0.00 178.15 178.68 2res h ILE 144 N 0.19 1.24 -0.06 -0.67 2.04 -1.04 -1.90 117.51 117.32 2res h ILE 144 Ca 0.09 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 2res h ILE 144 Cb 0.05 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2res h ILE 144 CO -0.09 0.34 -0.50 -0.33 0.00 0.00 0.00 178.15 177.58 2res h GLU 145 N 0.88 0.14 0.08 2.37 5.08 -0.98 -1.03 114.58 121.12 2res h GLU 145 Ca 0.19 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2res h GLU 145 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2res h GLU 145 CO 0.00 0.61 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.15 2res h ASP 146 N 0.12 -0.09 -0.48 1.42 3.32 -0.40 -0.83 116.42 119.48 2res h ASP 146 Ca 0.00 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 56.91 2res h ASP 146 Cb 0.92 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 2res h ASP 146 CO 0.07 0.18 0.07 0.03 -1.72 0.00 0.00 179.24 177.87 2res h ARG 147 N -0.36 0.19 -0.43 3.56 2.47 -1.18 0.80 114.38 119.43 2res h ARG 147 Ca -0.01 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2res h ARG 147 Cb 0.31 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2res h ARG 147 CO 0.02 0.13 0.23 1.25 0.56 0.00 0.00 179.97 182.15 2res h HIS 148 N 0.20 0.43 -0.85 3.04 2.76 -1.09 0.45 115.15 120.09 2res h HIS 148 Ca 0.24 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.46 2res h HIS 148 Cb 0.33 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 2res h HIS 148 CO -0.24 0.23 0.54 -0.09 -1.30 0.00 0.00 177.93 177.07 2res h ARG 149 N 0.46 1.02 0.00 5.26 2.43 -0.17 -1.54 114.38 121.85 2res h ARG 149 Ca 0.18 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2res h ARG 149 Cb 0.06 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2res h ARG 149 CO -0.11 0.68 -0.30 0.93 -1.51 0.00 0.00 179.97 179.65 2res h GLU 150 N 1.06 0.00 0.00 0.20 5.08 0.16 -2.91 114.58 118.16 2res h GLU 150 Ca 0.34 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2res h GLU 150 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2res h GLU 150 CO -0.12 0.30 -0.91 0.78 -1.00 0.00 0.00 179.01 178.06 2res h GLY 151 N 1.24 0.00 1.00 -3.84 0.00 -0.01 -3.51 103.07 97.95 2res h GLY 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2res h GLY 151 CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52