#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n GLN 4 N 0.00 -0.01 0.00 1.20 6.02 -1.26 -4.97 117.38 118.36 1vs7 n GLN 4 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1vs7 n GLN 4 Cb 0.00 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.38 1vs7 n GLN 4 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1vs7 n TYR 5 N -3.07 0.00 -3.58 1.08 4.01 -0.87 -4.94 117.16 109.79 1vs7 n TYR 5 Ca 0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.76 1vs7 n TYR 5 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1vs7 n TYR 5 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1vs7 s TYR 6 N 3.71 -0.23 -0.11 -0.72 6.14 -1.26 -4.40 117.35 120.47 1vs7 s TYR 6 Ca 0.00 0.28 -0.08 0.00 0.64 0.00 0.00 57.07 57.92 1vs7 s TYR 6 Cb 0.00 0.49 0.04 0.00 0.42 0.00 0.00 41.96 42.91 1vs7 s TYR 6 CO 0.00 -0.28 0.28 0.20 0.64 0.00 0.00 175.55 176.39 1vs7 s GLY 7 N -1.68 -0.20 0.00 8.97 0.00 0.16 -3.16 107.32 111.42 1vs7 s GLY 7 Ca 0.05 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1vs7 s GLY 7 CO -0.04 1.04 0.14 -1.30 0.00 0.00 0.00 173.10 172.94 1vs7 n THR 8 N 3.62 0.00 -1.69 0.90 -2.24 -1.26 -2.79 114.28 110.83 1vs7 n THR 8 Ca -0.19 0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1vs7 n THR 8 Cb 0.56 -0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1vs7 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs7 n GLY 9 N 1.39 -4.28 3.28 3.38 0.00 -1.26 -3.80 105.19 103.90 1vs7 n GLY 9 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1vs7 n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vs7 s ARG 10 N -1.30 0.39 -0.15 1.61 0.52 -1.25 -1.80 118.95 116.97 1vs7 s ARG 10 Ca -0.01 0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 1vs7 s ARG 10 Cb 0.00 0.02 0.07 0.00 0.52 0.00 0.00 34.95 35.56 1vs7 s ARG 10 CO 0.03 -0.17 0.32 0.50 0.02 0.00 0.00 175.30 176.00 1vs7 s ARG 11 N 1.55 0.22 -1.25 3.54 6.06 -1.21 -4.84 118.95 123.03 1vs7 s ARG 11 Ca -0.09 0.80 -0.14 0.00 -2.50 0.00 0.00 55.73 53.80 1vs7 s ARG 11 Cb -0.09 0.05 -0.00 0.00 0.06 0.00 0.00 34.95 34.98 1vs7 s ARG 11 CO -0.13 -0.25 0.64 1.63 -2.50 0.00 0.00 175.30 174.69 1vs7 n LYS 12 N 5.11 -1.94 -2.86 5.12 5.02 -1.26 -1.78 118.16 125.56 1vs7 n LYS 12 Ca -0.11 0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 56.41 1vs7 n LYS 12 Cb 0.51 -4.13 0.03 0.00 -0.02 0.00 0.00 35.03 31.42 1vs7 n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1vs7 n SER 13 N -2.74 -5.00 -4.33 4.39 3.41 -1.26 -4.65 113.62 103.43 1vs7 n SER 13 Ca -0.18 -0.23 -0.37 0.00 -0.26 0.00 0.00 58.87 57.83 1vs7 n SER 13 Cb 0.63 -3.84 -0.13 0.00 -0.26 0.00 0.00 64.21 60.61 1vs7 n SER 13 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vs7 s SER 14 N -2.82 5.15 -0.48 4.04 0.01 -0.74 -3.03 113.70 115.83 1vs7 s SER 14 Ca 0.24 -0.80 -0.24 0.00 1.31 0.00 0.00 55.95 56.46 1vs7 s SER 14 Cb -0.11 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1vs7 s SER 14 CO 0.30 -0.22 0.87 0.00 0.41 0.00 0.00 173.24 174.60 1vs7 s ALA 15 N 1.48 3.24 0.12 1.44 0.00 -0.06 -3.29 121.76 124.69 1vs7 s ALA 15 Ca 0.02 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1vs7 s ALA 15 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1vs7 s ALA 15 CO 0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 175.76 173.70 1vs7 s ALA 16 N 3.60 3.24 -0.31 0.00 0.00 -0.75 0.49 121.76 128.02 1vs7 s ALA 16 Ca 0.32 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1vs7 s ALA 16 Cb -0.12 -1.10 0.17 0.00 0.00 0.00 0.00 23.12 22.08 1vs7 s ALA 16 CO 0.23 0.61 0.48 0.50 0.00 0.00 0.00 175.76 177.58 1vs7 s ARG 17 N -2.55 0.52 0.31 0.00 3.52 -1.02 -4.52 118.95 115.22 1vs7 s ARG 17 Ca 0.26 0.08 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1vs7 s ARG 17 Cb -0.11 -0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.06 1vs7 s ARG 17 CO 0.18 -1.08 -0.08 0.14 -0.81 0.00 0.00 175.30 173.65 1vs7 s VAL 18 N 2.41 1.99 -0.08 7.11 -7.23 -1.12 0.12 120.40 123.60 1vs7 s VAL 18 Ca 0.11 -2.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1vs7 s VAL 18 Cb -0.11 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.33 1vs7 s VAL 18 CO -0.24 -0.26 0.14 -0.36 -0.31 0.00 0.00 175.10 174.08 1vs7 s PHE 19 N -2.78 -0.14 -0.28 2.82 0.40 -1.23 0.39 117.98 117.17 1vs7 s PHE 19 Ca 0.31 0.53 -0.27 0.00 -0.60 0.00 0.00 56.93 56.90 1vs7 s PHE 19 Cb 0.03 -0.31 0.01 0.00 0.51 0.00 0.00 43.02 43.26 1vs7 s PHE 19 CO 0.14 -0.27 0.94 0.42 0.70 0.00 0.00 175.22 177.15 1vs7 s ILE 20 N 2.27 4.70 -0.03 0.64 1.01 -1.26 -3.01 121.20 125.51 1vs7 s ILE 20 Ca 0.03 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.30 1vs7 s ILE 20 Cb -0.12 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.11 1vs7 s ILE 20 CO -0.06 -0.25 0.09 -0.75 0.00 0.00 0.00 174.94 173.97 1vs7 s LYS 21 N 3.18 0.08 0.03 2.79 2.20 0.24 -2.04 119.74 126.22 1vs7 s LYS 21 Ca 0.39 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 1vs7 s LYS 21 Cb -0.14 -0.01 -0.08 0.00 -1.51 0.00 0.00 37.83 36.09 1vs7 s LYS 21 CO 0.10 -0.04 1.92 -1.25 -0.36 0.00 0.00 175.35 175.72 1vs7 s PRO 22 N 0.27 4.15 0.00 4.03 0.04 -1.26 0.17 135.00 142.40 1vs7 s PRO 22 Ca -0.02 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1vs7 s PRO 22 Cb -0.03 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1vs7 s PRO 22 CO -0.01 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1vs7 n GLY 23 N 4.48 -0.18 0.00 0.56 0.00 -0.90 -4.70 105.19 104.45 1vs7 n GLY 23 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1vs7 n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vs7 n ASN 24 N -2.29 0.00 0.00 1.61 0.23 -1.13 -4.91 115.26 108.78 1vs7 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1vs7 n ASN 24 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1vs7 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vs7 n GLY 25 N -0.07 0.99 3.31 4.83 0.00 -1.26 -2.03 105.19 110.95 1vs7 n GLY 25 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1vs7 n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vs7 n LYS 26 N 0.00 -1.40 -3.38 1.61 2.85 -1.26 -4.29 118.16 112.28 1vs7 n LYS 26 Ca 0.00 -0.39 -0.02 0.00 -1.05 0.00 0.00 58.31 56.85 1vs7 n LYS 26 Cb 0.00 -1.74 -0.04 0.00 -0.65 0.00 0.00 35.03 32.59 1vs7 n LYS 26 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1vs7 s ILE 27 N -2.27 -0.86 0.15 0.58 2.07 -1.26 -3.74 121.20 115.86 1vs7 s ILE 27 Ca 0.57 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.86 1vs7 s ILE 27 Cb -0.14 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1vs7 s ILE 27 CO 0.66 -0.02 0.12 -0.69 -1.91 0.00 0.00 174.94 173.10 1vs7 s VAL 28 N 2.77 4.43 -0.32 4.00 1.01 -1.09 -0.45 120.40 130.74 1vs7 s VAL 28 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1vs7 s VAL 28 Cb -0.14 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 33.14 1vs7 s VAL 28 CO -0.18 -0.07 0.30 -0.51 0.00 0.00 0.00 175.10 174.63 1vs7 s ILE 29 N -1.69 -0.29 -0.63 2.22 2.07 0.15 0.13 121.20 123.16 1vs7 s ILE 29 Ca 0.30 -0.81 -0.13 0.00 -1.41 0.00 0.00 60.65 58.61 1vs7 s ILE 29 Cb -0.10 -0.90 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1vs7 s ILE 29 CO 0.23 -0.59 0.64 0.59 -1.91 0.00 0.00 174.94 173.90 1vs7 n ASN 30 N 4.82 -6.52 0.00 4.50 4.13 0.17 -1.35 115.26 121.00 1vs7 n ASN 30 Ca 0.03 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1vs7 n ASN 30 Cb 0.44 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.17 1vs7 n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vs7 n GLN 31 N -1.31 0.00 -1.81 3.52 3.00 -1.26 -4.89 117.38 114.62 1vs7 n GLN 31 Ca -0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.62 1vs7 n GLN 31 Cb 0.59 -0.87 0.09 0.00 0.00 0.00 0.00 30.24 30.05 1vs7 n GLN 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1vs7 s ARG 32 N 0.00 2.02 0.46 -1.09 1.81 -0.46 -5.10 118.95 116.60 1vs7 s ARG 32 Ca 0.00 0.25 0.06 0.00 -1.72 0.00 0.00 55.73 54.32 1vs7 s ARG 32 Cb 0.00 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.54 1vs7 s ARG 32 CO 0.00 -1.58 0.25 -1.12 -0.68 0.00 0.00 175.30 172.16 1vs7 s SER 33 N -4.39 4.51 0.00 0.23 0.01 -1.26 0.30 113.70 113.11 1vs7 s SER 33 Ca 0.61 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1vs7 s SER 33 Cb -0.12 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1vs7 s SER 33 CO 0.51 -0.76 0.55 -0.11 0.41 0.00 0.00 173.24 173.84 1vs7 n LEU 34 N -1.43 0.00 0.00 2.44 7.94 0.41 -1.41 117.00 124.94 1vs7 n LEU 34 Ca -0.03 0.55 0.08 0.00 -1.11 0.00 0.00 56.01 55.51 1vs7 n LEU 34 Cb 0.64 -0.05 0.42 0.00 0.53 0.00 0.00 43.42 44.96 1vs7 n LEU 34 CO 0.43 -0.05 0.74 -0.62 -1.11 0.00 0.00 177.39 176.77 1vs7 n GLU 35 N -1.09 0.25 -0.03 1.96 1.02 -1.26 -2.90 120.64 118.58 1vs7 n GLU 35 Ca 0.00 0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 1vs7 n GLU 35 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 1vs7 n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1vs7 h GLN 36 N 0.00 0.13 -0.56 3.49 1.08 -1.73 -0.92 115.11 116.59 1vs7 h GLN 36 Ca 0.00 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 1vs7 h GLN 36 Cb 0.15 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1vs7 h GLN 36 CO 0.00 0.76 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.65 1vs7 h TYR 37 N -0.47 1.15 -3.28 2.96 3.20 -1.10 -3.37 116.97 116.06 1vs7 h TYR 37 Ca -0.01 -0.23 -0.62 0.00 3.14 0.00 0.00 58.73 61.02 1vs7 h TYR 37 Cb 0.78 -0.29 -0.40 0.00 1.54 0.00 0.00 36.73 38.36 1vs7 h TYR 37 CO 0.15 1.05 -0.72 -0.06 -1.64 0.00 0.00 178.16 176.94 1vs7 s PHE 38 N -4.91 2.58 -1.14 -3.82 2.99 -1.15 -5.05 117.98 107.48 1vs7 s PHE 38 Ca -0.12 -2.53 -0.22 0.00 0.00 0.00 0.00 56.93 54.07 1vs7 s PHE 38 Cb 0.13 -2.28 -0.08 0.00 0.00 0.00 0.00 43.02 40.80 1vs7 s PHE 38 CO 0.86 -0.84 1.91 0.41 -0.00 0.00 0.00 175.22 177.56 1vs7 n GLY 39 N 3.99 1.57 3.23 4.36 0.00 -0.35 -4.14 105.19 113.83 1vs7 n GLY 39 Ca 0.04 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1vs7 n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs7 n ARG 40 N 8.02 -2.01 0.00 1.61 0.63 -1.26 -5.01 116.66 118.64 1vs7 n ARG 40 Ca 0.46 1.65 0.00 0.00 -0.92 0.00 0.00 57.85 59.04 1vs7 n ARG 40 Cb 0.45 -3.95 0.00 0.00 0.45 0.00 0.00 32.46 29.42 1vs7 n ARG 40 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1vs7 n GLU 41 N -0.67 0.35 -0.10 -0.14 1.02 -1.26 -5.08 120.64 114.76 1vs7 n GLU 41 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1vs7 n GLU 41 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.87 1vs7 n GLU 41 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1vs7 n THR 42 N 0.00 1.27 0.09 2.62 -1.04 -1.26 -4.32 114.28 111.64 1vs7 n THR 42 Ca 0.00 -0.64 0.01 0.00 -2.04 0.00 0.00 64.05 61.38 1vs7 n THR 42 Cb 0.00 -0.89 0.05 0.00 -1.82 0.00 0.00 70.33 67.67 1vs7 n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vs7 n ALA 43 N -2.90 1.27 -0.07 2.41 0.00 -1.26 -2.68 120.51 117.28 1vs7 n ALA 43 Ca -0.34 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 1vs7 n ALA 43 Cb 1.01 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1vs7 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h ARG 44 N 0.00 0.00 0.00 0.00 3.08 -1.91 -3.32 114.38 112.23 1vs7 h ARG 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vs7 h ARG 44 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1vs7 h ARG 44 CO 0.00 0.47 0.07 0.00 -1.07 0.00 0.00 179.97 179.44 1vs7 n MET 45 N -4.65 0.00 -0.00 0.04 0.00 -1.09 -2.37 117.12 109.05 1vs7 n MET 45 Ca -0.09 0.31 -0.01 0.00 0.00 0.00 0.00 57.70 57.91 1vs7 n MET 45 Cb 0.30 -1.57 -0.00 0.00 0.00 0.00 0.00 33.22 31.94 1vs7 n MET 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1vs7 h VAL 46 N 0.00 0.00 -0.02 3.17 2.07 -1.66 -3.10 116.25 116.70 1vs7 h VAL 46 Ca 0.00 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1vs7 h VAL 46 Cb 0.14 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1vs7 h VAL 46 CO 0.00 0.00 0.07 -0.37 0.02 0.00 0.00 177.57 177.29 1vs7 h VAL 47 N -0.46 0.18 -0.01 2.57 -1.51 -1.61 0.14 116.25 115.56 1vs7 h VAL 47 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1vs7 h VAL 47 Cb 0.03 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1vs7 h VAL 47 CO 0.01 0.00 -0.05 -1.14 -1.23 0.00 0.00 177.57 175.16 1vs7 n ARG 48 N -3.32 1.29 0.03 5.19 0.63 -1.00 -4.09 116.66 115.38 1vs7 n ARG 48 Ca -0.02 -0.62 -0.12 0.00 -0.92 0.00 0.00 57.85 56.17 1vs7 n ARG 48 Cb 0.15 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.48 1vs7 n ARG 48 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1vs7 h GLN 49 N 1.52 -0.14 0.00 -0.14 4.20 -0.62 0.21 115.11 120.14 1vs7 h GLN 49 Ca 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1vs7 h GLN 49 Cb 0.39 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1vs7 h GLN 49 CO 0.00 0.36 -0.02 -1.00 -0.67 0.00 0.00 178.83 177.50 1vs7 h PRO 50 N -0.79 0.00 -0.16 1.46 0.13 -1.72 -1.15 132.00 129.76 1vs7 h PRO 50 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 1vs7 h PRO 50 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1vs7 h PRO 50 CO 0.02 0.02 -0.28 -0.07 -0.23 0.00 0.00 178.00 177.47 1vs7 h LEU 51 N 0.00 0.53 0.00 1.56 3.38 -1.72 -2.26 115.31 116.81 1vs7 h LEU 51 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1vs7 h LEU 51 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1vs7 h LEU 51 CO 0.00 0.97 0.07 -0.62 0.09 0.00 0.00 178.44 178.95 1vs7 n GLU 52 N -4.39 0.00 -0.03 1.13 -0.58 0.06 0.11 120.64 116.94 1vs7 n GLU 52 Ca -0.06 0.39 -0.01 0.00 -0.42 0.00 0.00 57.16 57.06 1vs7 n GLU 52 Cb 0.46 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 1vs7 n GLU 52 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1vs7 n LEU 53 N -1.39 0.00 -0.63 -4.62 7.99 -1.10 -4.60 117.00 112.66 1vs7 n LEU 53 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.09 1vs7 n LEU 53 Cb 0.07 0.13 0.05 0.00 -0.11 0.00 0.00 43.42 43.56 1vs7 n LEU 53 CO 0.00 0.13 0.46 1.33 -1.51 0.00 0.00 177.39 177.80 1vs7 n VAL 54 N -2.12 0.00 -1.84 4.08 0.24 -0.37 -5.08 118.33 113.24 1vs7 n VAL 54 Ca -0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1vs7 n VAL 54 Cb 0.58 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 1vs7 n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1vs7 n ASP 55 N 0.69 -7.92 0.00 -1.34 8.00 0.30 -5.03 116.55 111.25 1vs7 n ASP 55 Ca 0.10 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1vs7 n ASP 55 Cb 0.43 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1vs7 n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1vs7 n MET 56 N 1.62 0.00 -0.73 -1.24 0.00 -1.25 -4.77 117.12 110.74 1vs7 n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1vs7 n MET 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1vs7 n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1vs7 n VAL 57 N 0.00 0.00 -2.38 3.17 0.31 -1.26 -4.38 118.33 113.79 1vs7 n VAL 57 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1vs7 n VAL 57 Cb 0.00 -0.38 0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1vs7 n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1vs7 n GLU 58 N -1.73 0.61 0.00 5.55 0.28 -0.86 -4.50 120.64 119.98 1vs7 n GLU 58 Ca 0.00 -0.71 0.00 0.00 -0.16 0.00 0.00 57.16 56.29 1vs7 n GLU 58 Cb 0.05 0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1vs7 n GLU 58 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1vs7 n LYS 59 N -0.69 0.00 -4.42 3.44 4.76 -1.19 -4.93 118.16 115.13 1vs7 n LYS 59 Ca -0.13 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.02 1vs7 n LYS 59 Cb 0.68 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.74 1vs7 n LYS 59 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1vs7 s LEU 60 N 0.00 2.35 0.18 -0.35 0.05 -1.26 -2.11 118.68 117.54 1vs7 s LEU 60 Ca 0.00 -0.72 0.07 0.00 0.05 0.00 0.00 54.13 53.54 1vs7 s LEU 60 Cb 0.00 -1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 42.84 1vs7 s LEU 60 CO 0.00 0.19 -0.00 -0.62 -0.55 0.00 0.00 176.35 175.36 1vs7 s ASP 61 N -2.01 4.75 0.05 1.48 -1.08 0.46 -4.17 116.67 116.15 1vs7 s ASP 61 Ca 0.14 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 1vs7 s ASP 61 Cb -0.10 -1.00 -0.02 0.00 -1.46 0.00 0.00 42.92 40.33 1vs7 s ASP 61 CO 0.06 0.08 -0.14 -1.48 0.52 0.00 0.00 175.17 174.22 1vs7 s LEU 62 N -2.99 2.21 -0.49 -1.34 -0.00 -1.25 -0.59 118.68 114.23 1vs7 s LEU 62 Ca 0.28 -0.51 -0.12 0.00 -0.00 0.00 0.00 54.13 53.78 1vs7 s LEU 62 Cb -0.09 -0.56 0.12 0.00 -0.00 0.00 0.00 46.19 45.66 1vs7 s LEU 62 CO 0.19 -0.01 0.39 -0.47 -0.00 0.00 0.00 176.35 176.45 1vs7 s TYR 63 N -1.00 3.36 0.23 3.48 5.04 -1.17 -2.69 117.35 124.61 1vs7 s TYR 63 Ca 0.00 -1.65 -0.30 0.00 -2.44 0.00 0.00 57.07 52.68 1vs7 s TYR 63 Cb -0.09 -3.56 -0.09 0.00 0.35 0.00 0.00 41.96 38.57 1vs7 s TYR 63 CO 0.02 -0.99 1.04 0.42 -1.34 0.00 0.00 175.55 174.70 1vs7 s ILE 64 N 1.45 3.82 -0.39 3.14 1.01 0.12 -3.47 121.20 126.87 1vs7 s ILE 64 Ca 0.05 1.74 0.09 0.00 0.00 0.00 0.00 60.65 62.53 1vs7 s ILE 64 Cb -0.27 -4.11 0.29 0.00 0.01 0.00 0.00 42.46 38.38 1vs7 s ILE 64 CO 0.01 0.38 0.61 0.41 0.00 0.00 0.00 174.94 176.34 1vs7 n THR 65 N 1.68 -0.38 -3.95 2.92 -1.04 0.32 0.41 114.28 114.24 1vs7 n THR 65 Ca -0.00 -4.27 -0.35 0.00 -2.04 0.00 0.00 64.05 57.38 1vs7 n THR 65 Cb 0.46 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 1vs7 n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1vs7 s VAL 66 N -1.71 5.30 0.09 12.58 0.11 -1.26 -2.45 120.40 133.07 1vs7 s VAL 66 Ca 0.37 -0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.19 1vs7 s VAL 66 Cb 0.24 -3.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 1vs7 s VAL 66 CO -0.10 0.49 0.50 -0.54 -3.33 0.00 0.00 175.10 172.12 1vs7 s LYS 67 N -1.41 1.09 0.12 1.54 1.02 0.18 -4.90 119.74 117.38 1vs7 s LYS 67 Ca 0.20 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1vs7 s LYS 67 Cb -0.12 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1vs7 s LYS 67 CO 0.10 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1vs7 n GLY 68 N 0.05 -4.10 0.00 -3.33 0.00 -1.26 -0.88 105.19 95.66 1vs7 n GLY 68 Ca -0.17 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1vs7 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs7 n GLY 69 N 0.21 0.61 3.56 -0.02 0.00 -1.17 -2.84 105.19 105.54 1vs7 n GLY 69 Ca 0.00 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 1vs7 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vs7 s GLY 70 N 0.00 2.37 0.00 -0.02 0.00 -1.26 -4.94 107.32 103.46 1vs7 s GLY 70 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1vs7 s GLY 70 CO 0.00 -1.99 0.92 1.39 0.00 0.00 0.00 173.10 173.43 1vs7 n ILE 71 N -0.87 0.00 0.18 0.90 5.41 -1.26 0.16 119.36 123.88 1vs7 n ILE 71 Ca -0.05 1.42 0.16 0.00 1.00 0.00 0.00 62.75 65.29 1vs7 n ILE 71 Cb 0.67 -2.01 0.77 0.00 -0.71 0.00 0.00 39.64 38.36 1vs7 n ILE 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1vs7 h SER 72 N 0.00 0.00 -0.07 4.38 4.64 -2.00 0.11 113.55 120.61 1vs7 h SER 72 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1vs7 h SER 72 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1vs7 h SER 72 CO 0.00 0.00 -0.32 1.23 -0.87 0.00 0.00 176.83 176.87 1vs7 h GLY 73 N 0.00 0.60 0.78 -0.77 0.00 -0.67 -2.23 103.07 100.78 1vs7 h GLY 73 Ca 0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1vs7 h GLY 73 CO -0.00 0.49 -0.38 1.46 0.00 0.00 0.00 176.54 178.11 1vs7 h GLN 74 N 0.47 -1.01 -0.18 4.80 1.08 0.42 -0.62 115.11 120.07 1vs7 h GLN 74 Ca 0.06 0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1vs7 h GLN 74 Cb 0.79 0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 1vs7 h GLN 74 CO 0.06 -0.68 -0.45 0.00 -0.95 0.00 0.00 178.83 176.82 1vs7 h ALA 75 N -1.46 -0.78 -1.00 3.87 0.00 -1.53 0.62 119.26 118.98 1vs7 h ALA 75 Ca -0.11 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1vs7 h ALA 75 Cb 0.81 0.97 -0.11 0.00 0.00 0.00 0.00 17.79 19.46 1vs7 h ALA 75 CO 0.18 -0.95 0.61 0.78 0.00 0.00 0.00 179.25 179.87 1vs7 h GLY 76 N -0.43 1.68 0.75 0.00 0.00 -1.45 0.87 103.07 104.49 1vs7 h GLY 76 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1vs7 h GLY 76 CO -0.40 -0.10 -0.10 0.00 0.00 0.00 0.00 176.54 175.94 1vs7 h ALA 77 N 1.66 0.22 -0.29 3.60 0.00 0.47 -2.30 119.26 122.61 1vs7 h ALA 77 Ca 0.59 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1vs7 h ALA 77 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1vs7 h ALA 77 CO -0.37 0.05 0.11 0.82 0.00 0.00 0.00 179.25 179.85 1vs7 h ILE 78 N -0.01 1.19 -0.05 0.00 2.04 0.19 -0.66 117.51 120.20 1vs7 h ILE 78 Ca 0.03 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1vs7 h ILE 78 Cb 0.59 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1vs7 h ILE 78 CO 0.03 0.20 0.06 -0.09 0.00 0.00 0.00 178.15 178.35 1vs7 h ARG 79 N 0.31 0.00 0.16 2.37 1.12 0.68 -1.12 114.38 117.90 1vs7 h ARG 79 Ca 0.09 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.71 1vs7 h ARG 79 Cb 0.20 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.18 1vs7 h ARG 79 CO -0.01 0.00 -1.20 1.25 -3.11 0.00 0.00 179.97 176.91 1vs7 h HIS 80 N 0.00 0.62 -0.65 2.20 2.76 -0.73 -3.31 115.15 116.04 1vs7 h HIS 80 Ca 0.02 -0.45 -0.03 0.00 -2.20 0.00 0.00 60.37 57.71 1vs7 h HIS 80 Cb 0.15 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1vs7 h HIS 80 CO 0.00 1.46 0.30 0.78 -1.30 0.00 0.00 177.93 179.17 1vs7 h GLY 81 N -0.06 0.99 0.11 5.26 0.00 -0.12 -2.36 103.07 106.89 1vs7 h GLY 81 Ca -0.23 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.63 1vs7 h GLY 81 CO 0.15 0.46 -0.33 -2.22 0.00 0.00 0.00 176.54 174.60 1vs7 h ILE 82 N 0.92 0.00 -0.10 2.60 2.04 -1.36 -0.70 117.51 120.92 1vs7 h ILE 82 Ca 0.22 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1vs7 h ILE 82 Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1vs7 h ILE 82 CO -0.03 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.24 1vs7 h THR 83 N -0.50 0.46 0.00 -0.27 1.03 -1.63 0.32 112.91 112.32 1vs7 h THR 83 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1vs7 h THR 83 Cb 0.49 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 1vs7 h THR 83 CO -0.17 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 175.88 1vs7 n ARG 84 N -3.77 0.71 0.00 0.00 5.12 -0.29 -2.68 116.66 115.75 1vs7 n ARG 84 Ca -0.01 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.88 1vs7 n ARG 84 Cb 0.22 -1.27 -0.01 0.00 -1.16 0.00 0.00 32.46 30.24 1vs7 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vs7 n ALA 85 N -0.77 2.56 0.09 7.54 0.00 0.11 -4.29 120.51 125.74 1vs7 n ALA 85 Ca 0.09 -0.20 0.18 0.00 0.00 0.00 0.00 53.44 53.52 1vs7 n ALA 85 Cb 0.04 0.27 0.54 0.00 0.00 0.00 0.00 19.45 20.30 1vs7 n ALA 85 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vs7 h LEU 86 N -0.22 0.00 -0.61 0.00 3.38 -1.47 -1.11 115.31 115.28 1vs7 h LEU 86 Ca -0.05 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1vs7 h LEU 86 Cb 0.49 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 1vs7 h LEU 86 CO -0.03 0.00 -0.25 -0.03 0.09 0.00 0.00 178.44 178.22 1vs7 h MET 87 N 0.00 -0.09 0.00 1.13 4.05 -1.74 -1.48 114.93 116.80 1vs7 h MET 87 Ca 0.21 0.01 -0.25 0.00 -0.28 0.00 0.00 59.70 59.39 1vs7 h MET 87 Cb 1.72 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.50 1vs7 h MET 87 CO -0.00 -0.06 -1.39 1.05 0.23 0.00 0.00 176.91 176.73 1vs7 h GLU 88 N -0.09 0.00 -0.04 0.39 -0.00 -1.52 -2.74 114.58 110.58 1vs7 h GLU 88 Ca 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.64 1vs7 h GLU 88 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1vs7 h GLU 88 CO -0.67 0.65 0.06 -0.92 -0.00 0.00 0.00 179.01 178.13 1vs7 h TYR 89 N 0.00 0.00 0.00 2.06 3.20 -1.39 -3.40 116.97 117.44 1vs7 h TYR 89 Ca -0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1vs7 h TYR 89 Cb 1.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.14 1vs7 h TYR 89 CO 0.00 0.00 0.00 -3.47 -1.64 0.00 0.00 178.16 173.05 1vs7 n ASP 90 N -3.53 0.00 -0.10 -2.11 4.64 -0.61 -5.05 116.55 109.79 1vs7 n ASP 90 Ca -0.02 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.43 1vs7 n ASP 90 Cb 0.15 0.00 0.36 0.00 -1.04 0.00 0.00 41.12 40.59 1vs7 n ASP 90 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1vs7 h GLU 91 N 0.00 0.70 -0.60 -0.67 3.07 -1.69 -2.06 114.58 113.32 1vs7 h GLU 91 Ca 0.00 -0.04 0.17 0.00 -0.50 0.00 0.00 59.36 58.99 1vs7 h GLU 91 Cb 0.00 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1vs7 h GLU 91 CO 0.00 0.46 0.49 0.77 -1.40 0.00 0.00 179.01 179.33 1vs7 h SER 92 N 0.72 0.00 -0.70 1.42 0.02 -1.92 -0.68 113.55 112.41 1vs7 h SER 92 Ca 0.22 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1vs7 h SER 92 Cb 0.01 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1vs7 h SER 92 CO -0.06 0.00 0.42 -0.07 -1.14 0.00 0.00 176.83 175.98 1vs7 h LEU 93 N 0.00 0.66 -0.88 5.07 3.38 -1.69 -2.75 115.31 119.09 1vs7 h LEU 93 Ca 0.28 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.46 1vs7 h LEU 93 Cb 1.27 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1vs7 h LEU 93 CO -0.00 0.44 0.43 0.03 0.09 0.00 0.00 178.44 179.43 1vs7 h ARG 94 N 0.80 0.50 -0.93 1.13 2.47 -1.29 -1.18 114.38 115.88 1vs7 h ARG 94 Ca 0.29 -0.03 0.26 0.00 -1.26 0.00 0.00 59.98 59.25 1vs7 h ARG 94 Cb 0.10 -0.11 -0.16 0.00 -1.65 0.00 0.00 29.97 28.14 1vs7 h ARG 94 CO -0.14 0.33 0.14 1.03 0.56 0.00 0.00 179.97 181.89 1vs7 h SER 95 N 0.51 -0.23 0.21 7.04 0.87 -1.63 1.50 113.55 121.82 1vs7 h SER 95 Ca 0.52 0.24 -0.34 0.00 -1.23 0.00 0.00 61.79 60.99 1vs7 h SER 95 Cb 0.89 0.38 0.02 0.00 -0.44 0.00 0.00 62.40 63.25 1vs7 h SER 95 CO -0.45 -0.28 -1.61 -0.33 -0.53 0.00 0.00 176.83 173.63 1vs7 h GLU 96 N 0.08 0.43 -0.43 2.24 4.39 -1.43 -3.07 114.58 116.80 1vs7 h GLU 96 Ca 0.59 -0.74 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1vs7 h GLU 96 Cb 1.23 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 1vs7 h GLU 96 CO -0.79 1.36 0.26 -0.07 -1.16 0.00 0.00 179.01 178.60 1vs7 h LEU 97 N 0.08 0.41 -1.44 1.33 3.38 0.18 0.24 115.31 119.49 1vs7 h LEU 97 Ca -0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1vs7 h LEU 97 Cb 2.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1vs7 h LEU 97 CO 0.20 0.30 -0.23 0.03 0.09 0.00 0.00 178.44 178.83 1vs7 h ARG 98 N 0.52 0.00 -0.00 1.13 3.08 0.19 -2.04 114.38 117.25 1vs7 h ARG 98 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1vs7 h ARG 98 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1vs7 h ARG 98 CO -0.08 0.23 -0.70 1.17 -1.07 0.00 0.00 179.97 179.53 1vs7 n LYS 99 N -3.64 0.05 -0.73 0.04 4.81 -0.66 -4.08 118.16 113.95 1vs7 n LYS 99 Ca -0.01 -0.04 0.03 0.00 -0.87 0.00 0.00 58.31 57.42 1vs7 n LYS 99 Cb 0.36 -1.50 0.30 0.00 0.02 0.00 0.00 35.03 34.21 1vs7 n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vs7 n ALA 100 N -1.44 3.74 -3.25 3.14 0.00 0.75 -4.96 120.51 118.49 1vs7 n ALA 100 Ca 0.05 -2.34 -0.15 0.00 0.00 0.00 0.00 53.44 51.00 1vs7 n ALA 100 Cb 0.34 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.92 1vs7 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 101 N -0.26 -1.02 1.14 0.00 0.00 -1.23 -4.97 105.19 98.85 1vs7 n GLY 101 Ca 0.29 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1vs7 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vs7 n PHE 102 N -3.34 -0.20 -0.35 1.61 0.99 -0.79 -4.84 117.46 110.55 1vs7 n PHE 102 Ca -0.10 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1vs7 n PHE 102 Cb 0.63 0.06 0.14 0.00 -1.00 0.00 0.00 39.48 39.31 1vs7 n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 1vs7 h VAL 103 N 0.00 1.12 -3.36 -4.37 -1.51 -1.86 -3.44 116.25 102.84 1vs7 h VAL 103 Ca 0.00 -0.40 -0.54 0.00 -1.23 0.00 0.00 66.70 64.53 1vs7 h VAL 103 Cb 0.28 -0.13 0.21 0.00 -2.13 0.00 0.00 31.29 29.51 1vs7 h VAL 103 CO 0.00 0.21 -0.52 0.41 -1.23 0.00 0.00 177.57 176.45 1vs7 n THR 104 N -4.51 0.58 -3.90 7.19 -1.04 -1.26 -5.00 114.28 106.34 1vs7 n THR 104 Ca 0.13 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.59 1vs7 n THR 104 Cb 0.13 -0.66 -0.15 0.00 -1.82 0.00 0.00 70.33 67.82 1vs7 n THR 104 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1vs7 s ARG 105 N -3.38 1.36 -1.10 -2.82 3.00 -1.26 -5.04 118.95 109.71 1vs7 s ARG 105 Ca 0.59 -1.09 -0.26 0.00 -1.00 0.00 0.00 55.73 53.98 1vs7 s ARG 105 Cb -0.25 -2.53 -0.19 0.00 0.00 0.00 0.00 34.95 31.98 1vs7 s ARG 105 CO 0.64 -0.72 2.08 -0.51 0.00 0.00 0.00 175.30 176.79 1vs7 s ASP 106 N 1.40 3.86 0.53 -2.12 1.11 -1.26 -4.70 116.67 115.50 1vs7 s ASP 106 Ca -0.00 -1.12 0.26 0.00 0.18 0.00 0.00 52.55 51.86 1vs7 s ASP 106 Cb -0.18 -2.59 1.41 0.00 1.07 0.00 0.00 42.92 42.62 1vs7 s ASP 106 CO -0.10 -4.30 1.99 0.00 1.18 0.00 0.00 175.17 173.94 1vs7 h ALA 107 N 11.16 2.47 -0.66 5.23 0.00 -1.96 -3.43 119.26 132.07 1vs7 h ALA 107 Ca 0.07 -0.02 -0.81 0.00 0.00 0.00 0.00 54.91 54.15 1vs7 h ALA 107 Cb 0.98 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1vs7 h ALA 107 CO 1.07 -0.65 1.01 2.89 0.00 0.00 0.00 179.25 183.57 1vs7 n ARG 108 N -4.33 0.18 -4.02 0.00 1.85 -1.26 -4.89 116.66 104.18 1vs7 n ARG 108 Ca 0.10 0.06 -0.09 0.00 -1.00 0.00 0.00 57.85 56.91 1vs7 n ARG 108 Cb 0.61 -1.62 -0.08 0.00 -1.05 0.00 0.00 32.46 30.31 1vs7 n ARG 108 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1vs7 s GLN 109 N 4.46 0.95 0.01 2.89 -0.44 -1.26 -4.78 119.66 121.48 1vs7 s GLN 109 Ca 1.11 -1.23 -0.39 0.00 -2.50 0.00 0.00 55.36 52.35 1vs7 s GLN 109 Cb -1.42 0.30 -0.18 0.00 -1.64 0.00 0.00 33.01 30.07 1vs7 s GLN 109 CO 0.72 -0.30 1.23 0.28 0.50 0.00 0.00 175.29 177.72 1vs7 n VAL 110 N -0.10 0.01 -3.42 1.34 0.31 -1.26 -4.94 118.33 110.27 1vs7 n VAL 110 Ca -0.09 -0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.97 1vs7 n VAL 110 Cb 0.63 -0.41 -0.03 0.00 -0.91 0.00 0.00 33.84 33.12 1vs7 n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1vs7 s GLU 111 N 0.42 3.57 0.37 5.55 2.56 -1.26 -5.05 118.70 124.86 1vs7 s GLU 111 Ca 0.89 -0.15 -0.28 0.00 0.00 0.00 0.00 54.97 55.44 1vs7 s GLU 111 Cb -1.14 -2.69 -0.10 0.00 2.00 0.00 0.00 34.13 32.20 1vs7 s GLU 111 CO 0.54 0.24 1.41 -0.98 -0.56 0.00 0.00 175.26 175.90 1vs7 s ARG 112 N -3.68 4.13 -0.63 4.30 1.70 -1.26 -4.91 118.95 118.61 1vs7 s ARG 112 Ca 0.42 2.41 -0.27 0.00 -0.47 0.00 0.00 55.73 57.82 1vs7 s ARG 112 Cb -0.11 -2.95 0.01 0.00 -0.57 0.00 0.00 34.95 31.33 1vs7 s ARG 112 CO 0.31 -0.45 1.54 0.21 -1.08 0.00 0.00 175.30 175.83 1vs7 s LYS 113 N -2.05 3.04 0.85 3.89 2.20 -1.26 -4.58 119.74 121.83 1vs7 s LYS 113 Ca 0.53 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1vs7 s LYS 113 Cb -0.43 -4.23 0.11 0.00 -1.51 0.00 0.00 37.83 31.76 1vs7 s LYS 113 CO 0.58 -2.27 1.17 0.15 -0.36 0.00 0.00 175.35 174.61 1vs7 s LYS 114 N 6.11 1.41 0.79 4.03 3.01 -1.26 -4.85 119.74 128.98 1vs7 s LYS 114 Ca 0.53 1.60 -0.12 0.00 -1.01 0.00 0.00 55.97 56.98 1vs7 s LYS 114 Cb -0.11 -1.77 0.07 0.00 -1.01 0.00 0.00 37.83 35.01 1vs7 s LYS 114 CO 0.21 -2.35 1.10 0.54 0.51 0.00 0.00 175.35 175.36 1vs7 s VAL 115 N -2.46 3.03 -1.47 3.17 0.11 -1.26 -3.90 120.40 117.62 1vs7 s VAL 115 Ca 0.69 0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 60.00 1vs7 s VAL 115 Cb -0.25 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 31.49 1vs7 s VAL 115 CO 0.54 -0.44 0.80 0.61 -3.33 0.00 0.00 175.10 173.29 1vs7 n GLY 116 N -2.30 -0.53 0.00 6.54 0.00 -1.26 -4.93 105.19 102.71 1vs7 n GLY 116 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1vs7 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs7 n LEU 117 N -4.36 0.00 0.00 0.99 4.77 -1.25 -4.72 117.00 112.43 1vs7 n LEU 117 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1vs7 n LEU 117 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1vs7 n LEU 117 CO 0.56 0.00 -0.10 0.54 -1.33 0.00 0.00 177.39 177.06 1vs7 n ARG 118 N 0.00 0.51 -2.33 3.23 1.74 -1.09 -4.93 116.66 113.80 1vs7 n ARG 118 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1vs7 n ARG 118 Cb 0.00 -0.60 0.05 0.00 -1.02 0.00 0.00 32.46 30.89 1vs7 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vs7 n LYS 119 N -1.09 2.23 -0.89 5.56 5.02 -1.26 -4.96 118.16 122.78 1vs7 n LYS 119 Ca 0.00 -3.60 -0.00 0.00 -2.02 0.00 0.00 58.31 52.68 1vs7 n LYS 119 Cb 0.10 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1vs7 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vs7 n ALA 120 N -0.58 -0.01 0.00 7.82 0.00 -1.26 -3.97 120.51 122.52 1vs7 n ALA 120 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1vs7 n ALA 120 Cb 0.88 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1vs7 n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs7 n ARG 121 N 0.82 0.00 -2.06 0.00 5.12 -1.26 -4.65 116.66 114.62 1vs7 n ARG 121 Ca -0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 1vs7 n ARG 121 Cb 0.44 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.71 1vs7 n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1vs7 s ARG 122 N -0.99 2.89 0.18 5.56 3.00 -1.25 -4.98 118.95 123.36 1vs7 s ARG 122 Ca 0.00 0.82 -0.30 0.00 -1.00 0.00 0.00 55.73 55.25 1vs7 s ARG 122 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 34.95 30.57 1vs7 s ARG 122 CO 0.00 -2.42 0.95 0.50 0.00 0.00 0.00 175.30 174.33 1vs7 s ARG 123 N 6.51 4.78 0.19 5.12 6.06 -1.26 -2.67 118.95 137.68 1vs7 s ARG 123 Ca 0.69 1.47 -0.32 0.00 -2.50 0.00 0.00 55.73 55.08 1vs7 s ARG 123 Cb -0.15 -3.33 -0.11 0.00 0.06 0.00 0.00 34.95 31.42 1vs7 s ARG 123 CO 0.25 0.38 1.65 -1.25 -2.50 0.00 0.00 175.30 173.83 1vs7 s PRO 124 N -0.63 4.16 1.12 5.12 0.04 -1.26 -4.95 135.00 138.60 1vs7 s PRO 124 Ca 0.44 2.50 -0.13 0.00 0.04 0.00 0.00 61.00 63.85 1vs7 s PRO 124 Cb -0.25 -3.11 0.24 0.00 0.04 0.00 0.00 34.50 31.42 1vs7 s PRO 124 CO 0.31 -0.69 0.89 0.00 0.04 0.00 0.00 177.00 177.55 1vs7 n GLN 125 N 3.93 -1.98 -3.64 4.56 10.64 -1.26 -5.05 117.38 124.57 1vs7 n GLN 125 Ca 0.15 -0.54 -0.02 0.00 -1.83 0.00 0.00 57.00 54.75 1vs7 n GLN 125 Cb 0.37 -2.13 -0.05 0.00 -0.86 0.00 0.00 30.24 27.56 1vs7 n GLN 125 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1vs7 s PHE 126 N -2.42 -0.04 -0.42 2.61 -0.12 -1.26 -5.14 117.98 111.18 1vs7 s PHE 126 Ca 0.66 0.08 0.05 0.00 -0.05 0.00 0.00 56.93 57.68 1vs7 s PHE 126 Cb -0.23 0.49 0.18 0.00 -0.63 0.00 0.00 43.02 42.83 1vs7 s PHE 126 CO 0.64 -0.03 0.72 -1.54 -0.05 0.00 0.00 175.22 174.96 1vs7 s SER 127 N -0.71 -1.33 0.00 1.98 1.04 -1.26 -4.96 113.70 108.46 1vs7 s SER 127 Ca 0.08 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1vs7 s SER 127 Cb -0.02 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.81 1vs7 s SER 127 CO -0.10 -0.12 0.00 1.17 0.98 0.00 0.00 173.24 175.17 1vs7 n LYS 128 N 3.90 0.00 0.00 4.02 3.00 -1.26 -5.39 118.16 122.43 1vs7 n LYS 128 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1vs7 n LYS 128 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1vs7 n LYS 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27