#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i85 s HIS 4 N 0.00 -0.67 -0.16 1.12 5.04 -1.26 -4.97 115.29 114.39 1i85 s HIS 4 Ca 0.00 0.63 -0.07 0.00 -1.54 0.00 0.00 55.06 54.08 1i85 s HIS 4 Cb 0.00 0.20 -0.04 0.00 0.04 0.00 0.00 32.58 32.78 1i85 s HIS 4 CO 0.00 -0.37 0.09 0.08 -2.34 0.00 0.00 174.74 172.20 1i85 s VAL 5 N 2.94 5.09 0.04 0.89 1.01 -1.26 -2.96 120.40 126.15 1i85 s VAL 5 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1i85 s VAL 5 Cb -0.09 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1i85 s VAL 5 CO -0.15 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.43 1i85 s ALA 6 N -0.22 0.38 0.07 5.51 0.00 -0.80 -4.14 121.76 122.56 1i85 s ALA 6 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1i85 s ALA 6 Cb -0.12 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 1i85 s ALA 6 CO 0.01 -0.20 0.09 0.00 0.00 0.00 0.00 175.76 175.66 1i85 n GLN 7 N 1.02 0.12 -1.90 0.00 10.64 -1.26 -1.79 117.38 124.21 1i85 n GLN 7 Ca -0.20 -0.59 -0.40 0.00 -1.83 0.00 0.00 57.00 53.98 1i85 n GLN 7 Cb 0.57 0.54 -0.00 0.00 -0.86 0.00 0.00 30.24 30.49 1i85 n GLN 7 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 1i85 s PRO 8 N -2.19 4.02 0.11 2.61 0.02 -1.23 -4.92 135.00 133.43 1i85 s PRO 8 Ca 0.06 2.40 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 1i85 s PRO 8 Cb -0.00 -2.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.54 1i85 s PRO 8 CO 0.05 -0.54 1.59 0.00 -0.33 0.00 0.00 177.00 177.77 1i85 h ALA 9 N 2.84 -0.75 -2.53 -1.55 0.00 -1.97 -3.40 119.26 111.91 1i85 h ALA 9 Ca -0.50 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1i85 h ALA 9 Cb 1.24 0.68 -0.18 0.00 0.00 0.00 0.00 17.79 19.54 1i85 h ALA 9 CO 0.63 -0.98 -0.22 0.54 0.00 0.00 0.00 179.25 179.22 1i85 s VAL 10 N -5.92 0.07 0.02 0.00 0.11 -1.26 -3.96 120.40 109.45 1i85 s VAL 10 Ca -0.16 -0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 58.21 1i85 s VAL 10 Cb 0.07 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1i85 s VAL 10 CO 0.63 -0.32 0.19 -0.69 -3.33 0.00 0.00 175.10 171.59 1i85 s VAL 11 N -2.25 0.09 -0.22 2.04 1.01 -1.05 -4.97 120.40 115.05 1i85 s VAL 11 Ca -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1i85 s VAL 11 Cb -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1i85 s VAL 11 CO -0.01 -0.42 -0.11 -0.76 0.00 0.00 0.00 175.10 173.80 1i85 s LEU 12 N -1.72 2.68 0.69 3.92 1.02 -1.26 -2.59 118.68 121.42 1i85 s LEU 12 Ca -0.10 -1.06 -0.16 0.00 0.02 0.00 0.00 54.13 52.82 1i85 s LEU 12 Cb -0.04 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.81 1i85 s LEU 12 CO -0.01 -0.15 0.98 0.00 0.02 0.00 0.00 176.35 177.19 1i85 n ALA 13 N 4.59 -0.07 -1.39 4.21 0.00 -1.21 -4.92 120.51 121.73 1i85 n ALA 13 Ca -0.15 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 1i85 n ALA 13 Cb 0.45 -2.13 0.23 0.00 0.00 0.00 0.00 19.45 18.01 1i85 n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i85 n SER 14 N -1.50 -1.24 0.19 0.00 2.88 -0.94 -4.86 113.62 108.14 1i85 n SER 14 Ca 0.13 -1.28 0.14 0.00 -1.33 0.00 0.00 58.87 56.53 1i85 n SER 14 Cb 0.49 -1.00 0.64 0.00 -0.75 0.00 0.00 64.21 63.58 1i85 n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i85 h SER 15 N -2.33 0.00 0.13 -3.46 4.64 -1.93 -2.63 113.55 107.96 1i85 h SER 15 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i85 h SER 15 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1i85 h SER 15 CO 0.28 0.00 -1.23 0.54 -0.87 0.00 0.00 176.83 175.55 1i85 n ARG 16 N -2.47 0.23 0.00 4.77 3.00 -1.26 -4.51 116.66 116.42 1i85 n ARG 16 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 1i85 n ARG 16 Cb 0.16 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1i85 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i85 n GLY 17 N 1.41 1.67 3.24 -0.13 0.00 -0.99 -4.58 105.19 105.80 1i85 n GLY 17 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1i85 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i85 s ILE 18 N -2.00 4.15 -0.16 -0.61 1.01 -1.26 -2.05 121.20 120.28 1i85 s ILE 18 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.05 1i85 s ILE 18 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1i85 s ILE 18 CO 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 174.94 174.28 1i85 s ALA 19 N 1.38 2.87 -0.11 9.38 0.00 -0.97 -2.22 121.76 132.09 1i85 s ALA 19 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1i85 s ALA 19 Cb -0.24 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1i85 s ALA 19 CO 0.01 0.09 0.00 0.45 0.00 0.00 0.00 175.76 176.31 1i85 s SER 20 N 0.59 2.07 0.55 0.00 0.15 -1.26 -0.47 113.70 115.34 1i85 s SER 20 Ca -0.04 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1i85 s SER 20 Cb -0.15 -0.54 0.03 0.00 -1.71 0.00 0.00 66.02 63.66 1i85 s SER 20 CO 0.03 -0.22 0.29 0.72 1.20 0.00 0.00 173.24 175.26 1i85 s PHE 21 N 1.90 1.58 -0.25 3.44 -0.71 -1.19 -4.96 117.98 117.80 1i85 s PHE 21 Ca 0.03 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.03 1i85 s PHE 21 Cb -0.14 -1.80 0.06 0.00 -1.21 0.00 0.00 43.02 39.93 1i85 s PHE 21 CO -0.06 -0.32 -0.09 0.08 -1.34 0.00 0.00 175.22 173.49 1i85 s VAL 22 N -2.83 1.91 -0.32 -2.49 1.01 -1.26 -2.29 120.40 114.12 1i85 s VAL 22 Ca 0.23 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 1i85 s VAL 22 Cb -0.02 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1i85 s VAL 22 CO 0.15 -0.05 0.19 0.00 0.00 0.00 0.00 175.10 175.38 1i85 s GLU 24 N 1.67 2.11 0.25 0.00 -1.05 -0.74 -1.06 118.70 119.88 1i85 s GLU 24 Ca 0.05 -0.90 0.11 0.00 -0.15 0.00 0.00 54.97 54.09 1i85 s GLU 24 Cb -0.17 -1.99 -0.05 0.00 -0.44 0.00 0.00 34.13 31.48 1i85 s GLU 24 CO 0.08 0.51 -0.20 1.52 0.95 0.00 0.00 175.26 178.13 1i85 s TYR 25 N -0.52 2.16 -0.92 4.83 1.13 0.52 -1.90 117.35 122.65 1i85 s TYR 25 Ca 0.08 -0.38 -0.01 0.00 -1.41 0.00 0.00 57.07 55.34 1i85 s TYR 25 Cb -0.10 -0.97 0.27 0.00 -1.10 0.00 0.00 41.96 40.05 1i85 s TYR 25 CO -0.00 0.60 1.10 0.00 -2.51 0.00 0.00 175.55 174.73 1i85 n ALA 26 N -0.38 4.51 0.01 9.51 0.00 -1.16 -4.42 120.51 128.58 1i85 n ALA 26 Ca -0.07 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.63 1i85 n ALA 26 Cb 0.59 -1.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1i85 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i85 n ALA 31 N 1.48 2.05 0.00 0.00 0.00 -1.26 -4.87 120.51 117.91 1i85 n ALA 31 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1i85 n ALA 31 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1i85 n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i85 n THR 32 N -1.38 0.00 -3.77 0.00 -2.24 -1.26 -4.96 114.28 100.67 1i85 n THR 32 Ca -0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1i85 n THR 32 Cb 0.02 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1i85 n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i85 s GLU 33 N -1.00 2.26 0.36 -0.78 2.12 -1.17 -1.27 118.70 119.22 1i85 s GLU 33 Ca 0.00 -2.24 0.00 0.00 0.36 0.00 0.00 54.97 53.09 1i85 s GLU 33 Cb 0.00 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1i85 s GLU 33 CO 0.00 -1.12 0.57 0.08 -0.54 0.00 0.00 175.26 174.25 1i85 s VAL 34 N 0.42 5.06 -0.24 3.70 1.01 -1.09 -2.25 120.40 127.02 1i85 s VAL 34 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1i85 s VAL 34 Cb -0.22 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1i85 s VAL 34 CO -0.04 -0.58 0.12 -0.60 0.00 0.00 0.00 175.10 174.01 1i85 s ARG 35 N -4.36 0.14 -0.20 2.72 3.52 -0.36 -2.24 118.95 118.17 1i85 s ARG 35 Ca 0.41 -0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 55.47 1i85 s ARG 35 Cb -0.10 -1.42 -0.02 0.00 -1.56 0.00 0.00 34.95 31.85 1i85 s ARG 35 CO 0.37 -0.87 0.65 0.54 -0.81 0.00 0.00 175.30 175.17 1i85 s VAL 36 N 2.13 5.00 -0.20 7.11 0.11 -1.13 -1.96 120.40 131.46 1i85 s VAL 36 Ca 0.06 1.21 -0.03 0.00 -2.93 0.00 0.00 61.98 60.30 1i85 s VAL 36 Cb -0.16 -3.96 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1i85 s VAL 36 CO -0.25 0.09 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.65 1i85 s THR 37 N 2.01 3.19 -0.39 5.04 2.01 -0.10 -2.67 115.64 124.73 1i85 s THR 37 Ca 0.29 -0.57 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1i85 s THR 37 Cb -0.16 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1i85 s THR 37 CO 0.10 0.45 0.64 -0.69 -0.69 0.00 0.00 174.62 174.44 1i85 s VAL 38 N 1.24 4.86 0.00 3.82 1.01 -0.18 -0.58 120.40 130.57 1i85 s VAL 38 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1i85 s VAL 38 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1i85 s VAL 38 CO -0.03 -0.42 0.00 0.18 0.00 0.00 0.00 175.10 174.83 1i85 n LEU 39 N 6.14 0.00 -3.39 3.92 4.77 0.38 -0.22 117.00 128.61 1i85 n LEU 39 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1i85 n LEU 39 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1i85 n LEU 39 CO 0.51 -0.26 0.57 -0.60 -1.33 0.00 0.00 177.39 176.28 1i85 s ARG 40 N -0.01 0.31 -0.19 3.23 3.52 -0.56 -3.13 118.95 122.12 1i85 s ARG 40 Ca 0.00 0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 56.26 1i85 s ARG 40 Cb 0.00 0.45 -0.05 0.00 -1.56 0.00 0.00 34.95 33.79 1i85 s ARG 40 CO 0.00 -0.13 0.12 -1.14 -0.81 0.00 0.00 175.30 173.34 1i85 s GLN 41 N 2.53 4.13 0.00 5.12 0.74 0.81 -2.23 119.66 130.75 1i85 s GLN 41 Ca -0.02 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1i85 s GLN 41 Cb -0.07 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1i85 s GLN 41 CO -0.17 0.32 0.00 1.04 -0.55 0.00 0.00 175.29 175.93 1i85 n GLN 45 N 3.44 0.00 -3.34 1.67 1.13 -1.26 -4.76 117.38 114.25 1i85 n GLN 45 Ca -0.16 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.81 1i85 n GLN 45 Cb 0.52 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.80 1i85 n GLN 45 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1i85 s VAL 46 N 0.00 -0.62 0.20 5.09 1.01 -1.24 -5.13 120.40 119.70 1i85 s VAL 46 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1i85 s VAL 46 Cb 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1i85 s VAL 46 CO 0.00 -0.11 -0.01 0.42 0.00 0.00 0.00 175.10 175.40 1i85 s THR 47 N 2.56 0.86 -0.26 3.92 -4.23 -0.94 -4.88 115.64 112.66 1i85 s THR 47 Ca 0.13 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.36 1i85 s THR 47 Cb -0.15 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1i85 s THR 47 CO -0.16 -0.42 0.96 -0.70 -0.54 0.00 0.00 174.62 173.77 1i85 s GLU 48 N -3.88 4.15 -0.17 3.99 2.12 -1.26 -1.49 118.70 122.16 1i85 s GLU 48 Ca 0.26 1.08 -0.25 0.00 0.36 0.00 0.00 54.97 56.42 1i85 s GLU 48 Cb 0.06 -3.68 -0.22 0.00 0.26 0.00 0.00 34.13 30.55 1i85 s GLU 48 CO 0.06 -0.67 0.50 0.28 -0.54 0.00 0.00 175.26 174.89 1i85 h VAL 49 N 5.53 1.35 -2.12 3.70 2.07 -0.84 -3.49 116.25 122.45 1i85 h VAL 49 Ca -0.21 -2.22 0.21 0.00 0.82 0.00 0.00 66.70 65.29 1i85 h VAL 49 Cb 1.07 2.77 -0.10 0.00 -1.52 0.00 0.00 31.29 33.51 1i85 h VAL 49 CO 0.95 0.46 0.57 0.00 0.02 0.00 0.00 177.57 179.57 1i85 s ALA 51 N -3.06 -1.55 0.07 0.00 0.00 -1.26 -1.01 121.76 114.95 1i85 s ALA 51 Ca 0.12 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 1i85 s ALA 51 Cb 0.00 0.73 0.09 0.00 0.00 0.00 0.00 23.12 23.94 1i85 s ALA 51 CO -0.00 -0.89 1.03 0.00 0.00 0.00 0.00 175.76 175.91 1i85 s ALA 52 N -3.58 -1.83 -0.05 0.00 0.00 -1.09 -4.13 121.76 111.07 1i85 s ALA 52 Ca 0.07 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1i85 s ALA 52 Cb -0.02 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1i85 s ALA 52 CO -0.03 -0.97 -0.13 0.99 0.00 0.00 0.00 175.76 175.62 1i85 s THR 53 N -3.03 1.13 0.03 0.00 2.01 -1.26 -2.83 115.64 111.70 1i85 s THR 53 Ca 0.11 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1i85 s THR 53 Cb 0.00 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1i85 s THR 53 CO -0.01 0.35 0.01 -0.72 -0.69 0.00 0.00 174.62 173.56 1i85 s TYR 54 N 0.46 0.31 0.00 4.92 1.13 -0.95 -4.74 117.35 118.48 1i85 s TYR 54 Ca -0.11 -0.66 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 1i85 s TYR 54 Cb -0.14 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1i85 s TYR 54 CO 0.03 -0.30 0.00 -1.33 -2.51 0.00 0.00 175.55 171.44 1i85 n MET 55 N 0.92 0.24 0.41 -3.49 2.81 -1.26 -2.67 117.12 114.08 1i85 n MET 55 Ca -0.20 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.52 1i85 n MET 55 Cb 0.58 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.00 1i85 n MET 55 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1i85 h MET 56 N 0.00 -1.01 -2.07 0.03 4.05 -1.56 -3.40 114.93 110.98 1i85 h MET 56 Ca 0.00 0.07 -0.53 0.00 -0.28 0.00 0.00 59.70 58.96 1i85 h MET 56 Cb 0.00 0.23 -0.41 0.00 -0.80 0.00 0.00 31.60 30.62 1i85 h MET 56 CO 0.00 -0.66 -0.95 0.41 0.23 0.00 0.00 176.91 175.94 1i85 n GLY 57 N -1.22 4.45 3.54 1.39 0.00 -1.26 -4.17 105.19 107.91 1i85 n GLY 57 Ca -0.14 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 1i85 n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i85 s ASN 58 N -2.93 3.00 0.36 1.61 -0.87 -1.26 -4.87 114.94 109.99 1i85 s ASN 58 Ca 0.44 -1.48 -0.27 0.00 -1.57 0.00 0.00 52.86 49.97 1i85 s ASN 58 Cb 0.33 0.08 -0.09 0.00 -0.02 0.00 0.00 41.25 41.55 1i85 s ASN 58 CO -0.10 -0.69 1.19 -1.61 -2.57 0.00 0.00 177.10 173.32 1i85 s GLU 59 N -3.82 4.25 1.17 -0.60 2.02 -1.26 -3.44 118.70 117.02 1i85 s GLU 59 Ca 0.29 1.92 -0.19 0.00 0.02 0.00 0.00 54.97 57.01 1i85 s GLU 59 Cb 0.07 -2.88 0.28 0.00 0.10 0.00 0.00 34.13 31.69 1i85 s GLU 59 CO 0.14 -0.17 1.15 -0.51 0.02 0.00 0.00 175.26 175.89 1i85 s LEU 60 N -2.11 1.05 0.02 1.80 2.01 0.12 -4.92 118.68 116.66 1i85 s LEU 60 Ca 0.52 0.52 0.00 0.00 0.01 0.00 0.00 54.13 55.19 1i85 s LEU 60 Cb -0.33 -2.29 0.00 0.00 0.01 0.00 0.00 46.19 43.58 1i85 s LEU 60 CO 0.42 -3.91 0.00 0.35 1.01 0.00 0.00 176.35 174.22 1i85 n THR 61 N -4.60 0.21 -2.98 5.49 -2.24 -1.26 -4.78 114.28 104.11 1i85 n THR 61 Ca 0.14 0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1i85 n THR 61 Cb 0.60 -1.02 0.01 0.00 -2.10 0.00 0.00 70.33 67.82 1i85 n THR 61 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i85 n PHE 62 N -2.68 -3.26 0.00 4.78 3.01 -1.26 -4.57 117.46 113.47 1i85 n PHE 62 Ca 0.00 1.30 0.00 0.00 1.01 0.00 0.00 57.45 59.76 1i85 n PHE 62 Cb 0.00 -3.91 0.00 0.00 -0.01 0.00 0.00 39.48 35.56 1i85 n PHE 62 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1i85 n LEU 63 N -0.77 0.00 0.00 4.37 4.32 -1.26 -4.09 117.00 119.58 1i85 n LEU 63 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1i85 n LEU 63 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1i85 n LEU 63 CO 0.50 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.77 1i85 n ASP 64 N 4.06 0.00 -0.88 -1.43 5.75 -1.26 -4.92 116.55 117.87 1i85 n ASP 64 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1i85 n ASP 64 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.30 1i85 n ASP 64 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1i85 n ASP 65 N -0.00 3.28 -4.50 -1.12 3.85 -1.26 -5.01 116.55 111.79 1i85 n ASP 65 Ca 0.00 -2.00 -0.29 0.00 -0.71 0.00 0.00 54.79 51.79 1i85 n ASP 65 Cb 0.00 -0.32 0.17 0.00 -1.35 0.00 0.00 41.12 39.63 1i85 n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1i85 s SER 66 N -1.00 2.65 -0.27 -1.12 0.15 -1.26 -5.01 113.70 107.84 1i85 s SER 66 Ca 0.32 0.89 0.10 0.00 0.70 0.00 0.00 55.95 57.96 1i85 s SER 66 Cb 0.17 -1.38 0.50 0.00 -1.71 0.00 0.00 66.02 63.60 1i85 s SER 66 CO 0.22 -3.08 1.43 2.30 1.20 0.00 0.00 173.24 175.31 1i85 n ILE 67 N -4.10 2.49 -4.29 6.45 -5.35 -1.26 -5.00 119.36 108.29 1i85 n ILE 67 Ca 0.08 -2.71 -0.16 0.00 -0.27 0.00 0.00 62.75 59.69 1i85 n ILE 67 Cb 0.59 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 38.08 1i85 n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i85 s THR 69 N -3.31 -0.86 0.22 0.00 -4.23 -0.65 -4.93 115.64 101.89 1i85 s THR 69 Ca 0.22 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1i85 s THR 69 Cb 0.03 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1i85 s THR 69 CO 0.04 -0.11 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.09 1i85 s GLY 70 N 2.65 1.72 0.18 3.99 0.00 -1.26 -3.03 107.32 111.58 1i85 s GLY 70 Ca 0.10 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.30 1i85 s GLY 70 CO -0.26 -1.62 -0.10 -0.51 0.00 0.00 0.00 173.10 170.60 1i85 s THR 71 N -1.98 1.38 0.05 0.90 -4.23 -0.82 0.12 115.64 111.06 1i85 s THR 71 Ca 0.27 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 1i85 s THR 71 Cb -0.08 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1i85 s THR 71 CO 0.16 -0.63 0.34 -0.94 -0.54 0.00 0.00 174.62 173.02 1i85 s SER 72 N -3.25 -0.18 -0.44 3.99 1.04 -1.22 -0.91 113.70 112.73 1i85 s SER 72 Ca 0.21 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1i85 s SER 72 Cb 0.02 0.39 0.21 0.00 0.10 0.00 0.00 66.02 66.74 1i85 s SER 72 CO 0.04 -0.66 0.91 -1.54 0.98 0.00 0.00 173.24 172.97 1i85 n SER 73 N 0.44 -2.53 -1.41 7.02 3.41 -1.05 -3.99 113.62 115.51 1i85 n SER 73 Ca -0.18 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1i85 n SER 73 Cb 0.60 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 1i85 n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i85 n GLY 74 N 2.63 -4.58 4.98 5.00 0.00 -1.26 -4.44 105.19 107.51 1i85 n GLY 74 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1i85 n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i85 n ASN 75 N -0.04 0.00 -4.44 1.61 3.02 -1.26 -4.76 115.26 109.39 1i85 n ASN 75 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1i85 n ASN 75 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1i85 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i85 s GLN 76 N 0.00 1.61 -0.10 3.52 -2.07 -1.26 0.19 119.66 121.56 1i85 s GLN 76 Ca 0.00 -1.88 -0.05 0.00 -1.82 0.00 0.00 55.36 51.61 1i85 s GLN 76 Cb 0.00 -0.86 0.05 0.00 -1.09 0.00 0.00 33.01 31.11 1i85 s GLN 76 CO 0.00 -0.16 0.23 0.14 -1.32 0.00 0.00 175.29 174.17 1i85 s VAL 77 N -3.29 -0.05 -0.28 3.63 -7.23 -0.22 -2.53 120.40 110.43 1i85 s VAL 77 Ca 0.35 0.16 -0.22 0.00 -1.81 0.00 0.00 61.98 60.46 1i85 s VAL 77 Cb 0.08 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.66 1i85 s VAL 77 CO 0.15 0.06 0.73 0.20 -0.31 0.00 0.00 175.10 175.93 1i85 s ASN 78 N 1.26 6.64 0.28 4.85 -0.87 -0.09 -2.11 114.94 124.89 1i85 s ASN 78 Ca -0.09 0.69 0.05 0.00 -1.57 0.00 0.00 52.86 51.94 1i85 s ASN 78 Cb -0.11 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.72 1i85 s ASN 78 CO -0.08 -0.51 0.41 -0.76 -2.57 0.00 0.00 177.10 173.59 1i85 s LEU 79 N 2.76 4.19 -0.29 0.60 1.43 -0.97 -1.95 118.68 124.44 1i85 s LEU 79 Ca 0.30 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1i85 s LEU 79 Cb -0.15 -2.89 0.17 0.00 0.03 0.00 0.00 46.19 43.35 1i85 s LEU 79 CO 0.10 -0.19 0.44 -0.89 0.23 0.00 0.00 176.35 176.04 1i85 s THR 80 N -2.07 -0.69 0.06 5.49 2.01 -1.17 -3.15 115.64 116.12 1i85 s THR 80 Ca 0.37 -0.27 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 1i85 s THR 80 Cb -0.09 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1i85 s THR 80 CO 0.30 -0.25 0.76 -0.63 -0.69 0.00 0.00 174.62 174.11 1i85 s ILE 81 N 2.54 4.70 0.50 1.82 1.01 0.38 -1.63 121.20 130.52 1i85 s ILE 81 Ca 0.10 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.42 1i85 s ILE 81 Cb -0.12 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1i85 s ILE 81 CO -0.29 0.39 0.27 -1.10 0.00 0.00 0.00 174.94 174.21 1i85 s GLN 82 N -0.19 2.25 -1.25 2.79 -0.21 0.32 -2.29 119.66 121.07 1i85 s GLN 82 Ca 0.38 -2.03 -0.10 0.00 0.02 0.00 0.00 55.36 53.63 1i85 s GLN 82 Cb -0.21 -1.97 0.08 0.00 1.00 0.00 0.00 33.01 31.92 1i85 s GLN 82 CO 0.23 -0.42 0.46 0.41 -2.12 0.00 0.00 175.29 173.85 1i85 n GLY 83 N -1.52 -0.48 3.83 3.09 0.00 -1.17 -4.93 105.19 104.01 1i85 n GLY 83 Ca -0.05 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1i85 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i85 s LEU 84 N -6.45 3.30 0.00 0.99 1.43 -0.87 -5.02 118.68 112.07 1i85 s LEU 84 Ca 0.41 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1i85 s LEU 84 Cb -0.22 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1i85 s LEU 84 CO 0.50 -1.15 0.00 0.54 0.23 0.00 0.00 176.35 176.47 1i85 n ARG 85 N -2.59 0.74 0.29 1.70 1.74 -1.26 -4.47 116.66 112.81 1i85 n ARG 85 Ca 0.07 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.00 1i85 n ARG 85 Cb 0.54 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.89 1i85 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i85 h ALA 86 N 1.00 -0.73 0.00 7.54 0.00 -1.89 -3.15 119.26 122.03 1i85 h ALA 86 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1i85 h ALA 86 Cb 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1i85 h ALA 86 CO 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 179.25 178.39 1i85 h MET 87 N -0.87 0.00 -0.60 0.00 -0.00 -1.97 -2.83 114.93 108.66 1i85 h MET 87 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.66 1i85 h MET 87 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.17 1i85 h MET 87 CO 0.12 0.03 0.36 -0.44 -0.00 0.00 0.00 176.91 176.98 1i85 h ASP 88 N 0.00 0.59 -0.54 -0.10 3.45 -1.94 -3.44 116.42 114.43 1i85 h ASP 88 Ca -0.00 0.01 -0.43 0.00 0.43 0.00 0.00 57.03 57.04 1i85 h ASP 88 Cb 0.08 -0.12 0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1i85 h ASP 88 CO 0.00 0.41 0.02 0.41 -1.57 0.00 0.00 179.24 178.51 1i85 n THR 89 N -4.75 0.03 0.00 0.35 -1.04 -1.08 -4.86 114.28 102.93 1i85 n THR 89 Ca 0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1i85 n THR 89 Cb 0.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1i85 n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i85 n GLY 90 N 0.82 0.32 3.57 3.41 0.00 -0.97 -4.97 105.19 107.36 1i85 n GLY 90 Ca 0.11 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1i85 n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i85 s LEU 91 N 0.00 3.33 -0.60 0.99 2.96 -1.26 -2.34 118.68 121.75 1i85 s LEU 91 Ca 0.00 -0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 53.69 1i85 s LEU 91 Cb 0.00 -2.90 0.08 0.00 0.50 0.00 0.00 46.19 43.87 1i85 s LEU 91 CO 0.00 -1.72 0.82 -0.31 -1.32 0.00 0.00 176.35 173.82 1i85 s TYR 92 N 5.77 2.85 0.08 5.38 1.51 -0.77 -0.14 117.35 132.03 1i85 s TYR 92 Ca 0.44 -0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 1i85 s TYR 92 Cb -0.09 -4.06 -0.05 0.00 -0.11 0.00 0.00 41.96 37.65 1i85 s TYR 92 CO 0.22 -1.40 1.07 0.42 -1.11 0.00 0.00 175.55 174.74 1i85 s ILE 93 N 3.36 4.34 -0.52 2.71 1.01 -1.18 -2.27 121.20 128.65 1i85 s ILE 93 Ca 0.18 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.54 1i85 s ILE 93 Cb -0.19 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.27 1i85 s ILE 93 CO 0.10 0.20 0.38 0.00 0.00 0.00 0.00 174.94 175.62 1i85 s LYS 95 N 1.00 4.08 -0.08 0.00 2.20 0.25 -3.20 119.74 123.99 1i85 s LYS 95 Ca 0.09 0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1i85 s LYS 95 Cb -0.23 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1i85 s LYS 95 CO -0.02 0.30 0.03 0.08 -0.36 0.00 0.00 175.35 175.38 1i85 s VAL 96 N -1.73 0.16 0.01 4.02 1.01 -0.24 -0.93 120.40 122.72 1i85 s VAL 96 Ca 0.47 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1i85 s VAL 96 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1i85 s VAL 96 CO 0.19 0.14 0.04 -1.61 0.00 0.00 0.00 175.10 173.86 1i85 s GLU 97 N 2.05 2.87 -0.88 2.72 2.02 -0.83 -1.64 118.70 125.02 1i85 s GLU 97 Ca 0.04 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.40 1i85 s GLU 97 Cb -0.13 -2.73 0.22 0.00 0.10 0.00 0.00 34.13 31.59 1i85 s GLU 97 CO -0.05 0.62 0.77 -1.17 0.02 0.00 0.00 175.26 175.45 1i85 s LEU 98 N -1.77 5.67 0.00 1.80 2.96 -0.35 -1.23 118.68 125.77 1i85 s LEU 98 Ca 0.22 -3.52 0.00 0.00 -0.22 0.00 0.00 54.13 50.61 1i85 s LEU 98 Cb -0.12 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1i85 s LEU 98 CO 0.13 -0.25 0.00 0.23 -1.32 0.00 0.00 176.35 175.15 1i85 n MET 99 N 2.64 1.19 -1.48 1.98 2.81 -0.95 -3.89 117.12 119.42 1i85 n MET 99 Ca 0.19 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.62 1i85 n MET 99 Cb 0.38 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.87 1i85 n MET 99 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1i85 n TYR 100 N -0.67 0.22 -2.89 2.03 9.36 -1.26 -4.44 117.16 119.51 1i85 n TYR 100 Ca 0.00 0.86 -0.31 0.00 3.32 0.00 0.00 57.90 61.77 1i85 n TYR 100 Cb 0.00 -2.08 -0.04 0.00 -0.63 0.00 0.00 39.34 36.59 1i85 n TYR 100 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1i85 s PRO 101 N -1.23 3.87 1.11 2.98 0.04 -1.26 -3.03 135.00 137.48 1i85 s PRO 101 Ca 0.62 0.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 1i85 s PRO 101 Cb -0.83 -2.37 0.22 0.00 0.04 0.00 0.00 34.50 31.55 1i85 s PRO 101 CO 0.58 -0.01 0.81 -0.35 0.04 0.00 0.00 177.00 178.07 1i85 n PRO 102 N -1.05 -1.88 -1.94 0.56 -0.04 -1.26 -4.51 135.00 124.89 1i85 n PRO 102 Ca 0.03 -0.51 -0.31 0.00 -0.04 0.00 0.00 63.50 62.67 1i85 n PRO 102 Cb 0.54 -2.10 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 1i85 n PRO 102 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1i85 s PRO 103 N -4.21 3.51 0.85 0.54 0.04 -1.26 -4.97 135.00 129.50 1i85 s PRO 103 Ca 0.65 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 1i85 s PRO 103 Cb -0.22 -2.10 0.21 0.00 0.04 0.00 0.00 34.50 32.43 1i85 s PRO 103 CO 0.64 -0.59 0.68 0.98 0.04 0.00 0.00 177.00 178.76 1i85 n TYR 104 N -2.74 -3.48 0.00 0.56 9.36 -1.26 -4.89 117.16 114.71 1i85 n TYR 104 Ca 0.06 -0.62 0.00 0.00 3.32 0.00 0.00 57.90 60.65 1i85 n TYR 104 Cb 0.54 -0.77 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 1i85 n TYR 104 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1i85 n TYR 105 N -4.27 0.00 -4.04 2.98 0.53 -1.25 -4.93 117.16 106.17 1i85 n TYR 105 Ca 0.10 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.65 1i85 n TYR 105 Cb 0.39 0.00 -0.15 0.00 -1.03 0.00 0.00 39.34 38.55 1i85 n TYR 105 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1i85 s LEU 106 N 0.00 3.70 -0.05 7.72 2.96 -1.26 -1.21 118.68 130.53 1i85 s LEU 106 Ca 0.00 -1.49 0.04 0.00 -0.22 0.00 0.00 54.13 52.46 1i85 s LEU 106 Cb 0.00 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1i85 s LEU 106 CO 0.00 -0.23 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.83 1i85 s GLY 107 N 1.11 1.54 -0.03 7.98 0.00 -0.65 -4.66 107.32 112.60 1i85 s GLY 107 Ca -0.06 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1i85 s GLY 107 CO -0.05 -0.77 -0.14 -0.42 0.00 0.00 0.00 173.10 171.72 1i85 s ILE 108 N -0.74 1.17 0.65 0.90 1.01 -1.26 -1.07 121.20 121.85 1i85 s ILE 108 Ca 0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1i85 s ILE 108 Cb -0.11 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.42 1i85 s ILE 108 CO 0.01 0.34 0.93 -0.83 0.00 0.00 0.00 174.94 175.38 1i85 s GLY 109 N -0.06 1.74 0.00 6.18 0.00 -1.19 -4.36 107.32 109.62 1i85 s GLY 109 Ca -0.00 -1.09 0.14 0.00 0.00 0.00 0.00 44.72 43.77 1i85 s GLY 109 CO 0.01 -0.72 1.35 0.70 0.00 0.00 0.00 173.10 174.43 1i85 n ASN 110 N -2.72 2.00 -0.77 1.64 4.13 -1.26 -4.66 115.26 113.61 1i85 n ASN 110 Ca 0.08 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1i85 n ASN 110 Cb 0.60 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 1i85 n ASN 110 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i85 n GLY 111 N 1.12 -3.73 3.77 7.41 0.00 -1.26 -4.89 105.19 107.62 1i85 n GLY 111 Ca 0.14 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1i85 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i85 s THR 112 N -3.06 5.29 -0.43 2.61 2.01 -0.96 -4.82 115.64 116.27 1i85 s THR 112 Ca 0.00 0.54 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 1i85 s THR 112 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1i85 s THR 112 CO 0.00 0.47 1.07 -1.58 -0.69 0.00 0.00 174.62 173.89 1i85 s GLN 113 N -0.09 3.77 -0.35 4.92 2.00 -1.25 -1.85 119.66 126.81 1i85 s GLN 113 Ca 0.18 0.60 -0.15 0.00 -2.00 0.00 0.00 55.36 53.99 1i85 s GLN 113 Cb -0.13 -3.87 -0.01 0.00 0.80 0.00 0.00 33.01 29.80 1i85 s GLN 113 CO 0.06 -1.22 0.34 0.42 -0.50 0.00 0.00 175.29 174.39 1i85 s ILE 114 N 4.09 5.19 -0.39 -2.34 1.01 -0.99 -2.54 121.20 125.23 1i85 s ILE 114 Ca 0.45 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 1i85 s ILE 114 Cb -0.09 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1i85 s ILE 114 CO 0.26 -0.12 0.41 -0.31 0.00 0.00 0.00 174.94 175.18 1i85 s TYR 115 N 1.94 3.19 0.00 3.97 4.12 -1.07 -2.30 117.35 127.20 1i85 s TYR 115 Ca 0.10 -0.25 0.00 0.00 0.02 0.00 0.00 57.07 56.94 1i85 s TYR 115 Cb -0.17 -2.81 0.00 0.00 -1.52 0.00 0.00 41.96 37.46 1i85 s TYR 115 CO 0.11 -0.60 0.00 0.28 0.02 0.00 0.00 175.55 175.36 1i85 n VAL 116 N 5.36 0.00 -1.01 0.71 0.31 -1.26 -3.28 118.33 119.15 1i85 n VAL 116 Ca -0.08 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 1i85 n VAL 116 Cb 0.48 0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 33.95 1i85 n VAL 116 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1i85 n ILE 117 N -0.94 0.00 0.00 2.52 5.41 -1.15 -3.97 119.36 121.23 1i85 n ILE 117 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1i85 n ILE 117 Cb 0.00 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.75 1i85 n ILE 117 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1i85 n ASP 118 N 5.16 0.00 -3.81 4.38 5.75 -1.26 -4.91 116.55 121.86 1i85 n ASP 118 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.54 1i85 n ASP 118 Cb 0.41 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.69 1i85 n ASP 118 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1i85 n PRO 119 N 0.00 -1.21 0.00 0.11 -0.02 -1.26 -4.85 135.00 127.76 1i85 n PRO 119 Ca 0.00 -1.96 0.00 0.00 -2.02 0.00 0.00 63.50 59.52 1i85 n PRO 119 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1i85 n PRO 119 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63