#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sic s ALA 8 N 0.00 3.50 -0.65 -3.48 0.00 -1.26 -4.98 121.76 114.90 3sic s ALA 8 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 3sic s ALA 8 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.90 3sic s ALA 8 CO 0.00 -1.23 1.23 -2.14 0.00 0.00 0.00 175.76 173.62 3sic s PRO 9 N 2.87 3.38 -0.12 0.00 0.02 -1.26 -4.65 135.00 135.23 3sic s PRO 9 Ca 0.29 0.05 -0.04 0.00 0.02 0.00 0.00 61.00 61.33 3sic s PRO 9 Cb -0.14 -4.08 0.06 0.00 0.02 0.00 0.00 34.50 30.36 3sic s PRO 9 CO 0.13 -1.88 0.22 0.45 -0.33 0.00 0.00 177.00 175.59 3sic s SER 10 N 3.32 0.61 -0.29 2.53 0.15 -1.26 -1.05 113.70 117.71 3sic s SER 10 Ca 0.40 0.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.30 3sic s SER 10 Cb -0.08 0.52 0.13 0.00 -1.71 0.00 0.00 66.02 64.88 3sic s SER 10 CO 0.21 -0.25 0.87 0.00 1.20 0.00 0.00 173.24 175.27 3sic s ALA 11 N 2.37 -2.22 0.10 5.45 0.00 -0.86 -4.29 121.76 122.30 3sic s ALA 11 Ca 0.03 2.25 0.03 0.00 0.00 0.00 0.00 51.96 54.27 3sic s ALA 11 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3sic s ALA 11 CO -0.08 -0.52 -0.09 -0.51 0.00 0.00 0.00 175.76 174.56 3sic s LEU 12 N 1.78 2.44 -0.04 0.00 1.43 -0.36 -2.00 118.68 121.93 3sic s LEU 12 Ca -0.08 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 3sic s LEU 12 Cb -0.05 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 45.95 3sic s LEU 12 CO -0.17 -0.33 -0.06 0.68 0.23 0.00 0.00 176.35 176.71 3sic s VAL 13 N -2.82 0.61 -0.06 -1.59 -7.23 -0.17 -1.59 120.40 107.55 3sic s VAL 13 Ca 0.08 -0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 3sic s VAL 13 Cb -0.00 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 3sic s VAL 13 CO -0.01 0.24 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.08 3sic s LEU 14 N 0.82 2.54 0.13 1.32 1.02 0.96 -1.02 118.68 124.45 3sic s LEU 14 Ca -0.12 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.78 3sic s LEU 14 Cb -0.14 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 3sic s LEU 14 CO 0.01 0.30 -0.12 0.42 0.02 0.00 0.00 176.35 176.99 3sic s THR 15 N -0.48 1.20 -0.09 5.49 -4.23 -0.87 0.96 115.64 117.62 3sic s THR 15 Ca 0.06 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 58.56 3sic s THR 15 Cb -0.12 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.10 3sic s THR 15 CO 0.01 -0.60 0.34 0.54 -0.54 0.00 0.00 174.62 174.38 3sic s VAL 16 N -2.76 0.02 -0.02 2.29 0.11 -0.11 -1.87 120.40 118.06 3sic s VAL 16 Ca 0.12 -0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 3sic s VAL 16 Cb -0.01 -0.54 0.08 0.00 -1.53 0.00 0.00 36.38 34.38 3sic s VAL 16 CO 0.02 -0.09 0.75 -0.83 -3.33 0.00 0.00 175.10 171.61 3sic s GLY 17 N -0.35 -0.52 0.20 6.54 0.00 -1.07 0.13 107.32 112.25 3sic s GLY 17 Ca -0.05 1.22 -0.32 0.00 0.00 0.00 0.00 44.72 45.58 3sic s GLY 17 CO 0.02 0.71 1.74 0.28 0.00 0.00 0.00 173.10 175.85 3sic n LYS 18 N 0.44 2.79 0.00 2.90 4.76 -1.26 -0.39 118.16 127.40 3sic n LYS 18 Ca -0.16 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 3sic n LYS 18 Cb 0.60 -2.86 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 3sic n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3sic n GLY 19 N 4.00 1.64 0.10 0.72 0.00 -0.41 -4.58 105.19 106.67 3sic n GLY 19 Ca 0.16 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.45 3sic n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3sic n VAL 20 N -1.82 0.08 -3.67 1.61 3.14 -1.26 -2.88 118.33 113.53 3sic n VAL 20 Ca 0.00 -0.54 -0.11 0.00 -2.96 0.00 0.00 64.34 60.73 3sic n VAL 20 Cb 0.00 1.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.73 3sic n VAL 20 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3sic s SER 21 N -0.28 -0.21 0.00 6.55 1.04 -1.26 -4.91 113.70 114.63 3sic s SER 21 Ca 0.03 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3sic s SER 21 Cb 0.02 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3sic s SER 21 CO 0.03 -0.75 0.34 0.00 0.98 0.00 0.00 173.24 173.84 3sic n ALA 22 N 0.13 0.00 -3.42 5.32 0.00 -1.26 -3.21 120.51 118.07 3sic n ALA 22 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3sic n ALA 22 Cb 0.62 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 20.14 3sic n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3sic s THR 23 N -2.21 -0.53 0.00 0.00 2.01 -1.26 -4.12 115.64 109.53 3sic s THR 23 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3sic s THR 23 Cb 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3sic s THR 23 CO 0.00 -0.12 0.00 0.35 -0.69 0.00 0.00 174.62 174.16 3sic n THR 24 N 5.35 0.00 -2.71 -0.82 -2.24 -1.26 -4.98 114.28 107.63 3sic n THR 24 Ca -0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3sic n THR 24 Cb 0.50 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 3sic n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3sic n ALA 25 N 0.00 -2.64 -1.57 6.98 0.00 -1.20 -4.36 120.51 117.74 3sic n ALA 25 Ca 0.00 -0.75 -0.49 0.00 0.00 0.00 0.00 53.44 52.21 3sic n ALA 25 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 3sic n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3sic n ALA 26 N 1.79 -0.95 -2.42 0.00 0.00 -1.26 -4.74 120.51 112.92 3sic n ALA 26 Ca 0.07 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 3sic n ALA 26 Cb 0.66 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 3sic n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3sic s PRO 27 N -0.50 3.89 -0.14 0.00 0.02 -1.26 -4.10 135.00 132.91 3sic s PRO 27 Ca 0.72 1.22 0.10 0.00 0.02 0.00 0.00 61.00 63.07 3sic s PRO 27 Cb -0.86 -3.89 -0.23 0.00 0.02 0.00 0.00 34.50 29.54 3sic s PRO 27 CO 0.53 -1.15 0.29 -1.91 -0.33 0.00 0.00 177.00 174.43 3sic n GLU 28 N 7.36 0.67 -4.01 5.54 2.13 0.12 -4.92 120.64 127.53 3sic n GLU 28 Ca 0.15 0.16 -0.12 0.00 0.66 0.00 0.00 57.16 58.01 3sic n GLU 28 Cb 0.47 -1.65 -0.12 0.00 0.27 0.00 0.00 31.44 30.41 3sic n GLU 28 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3sic s ARG 29 N -2.54 0.34 -0.11 5.31 3.00 -0.76 -4.98 118.95 119.20 3sic s ARG 29 Ca -0.13 -0.49 -0.06 0.00 0.00 0.00 0.00 55.73 55.05 3sic s ARG 29 Cb 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 34.95 34.96 3sic s ARG 29 CO 0.79 0.01 0.26 0.00 0.00 0.00 0.00 175.30 176.37 3sic s ALA 30 N -0.98 -0.62 0.27 2.13 0.00 -1.25 -0.93 121.76 120.37 3sic s ALA 30 Ca -0.09 1.06 0.04 0.00 0.00 0.00 0.00 51.96 52.98 3sic s ALA 30 Cb -0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 3sic s ALA 30 CO -0.00 -0.21 0.01 0.14 0.00 0.00 0.00 175.76 175.70 3sic s VAL 31 N 1.29 1.16 0.08 0.00 -7.23 0.27 -4.97 120.40 110.99 3sic s VAL 31 Ca -0.09 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 3sic s VAL 31 Cb -0.10 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 3sic s VAL 31 CO -0.09 -0.20 -0.20 0.42 -0.31 0.00 0.00 175.10 174.72 3sic s THR 32 N -3.33 1.59 -0.02 5.32 -4.23 -1.12 -0.03 115.64 113.82 3sic s THR 32 Ca 0.32 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3sic s THR 32 Cb 0.06 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.47 3sic s THR 32 CO 0.12 0.01 0.06 -0.22 -0.54 0.00 0.00 174.62 174.04 3sic s LEU 33 N -1.60 1.81 -0.03 4.79 2.96 -0.62 -1.93 118.68 124.05 3sic s LEU 33 Ca 0.06 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3sic s LEU 33 Cb -0.09 0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.84 3sic s LEU 33 CO 0.03 -0.07 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.08 3sic s THR 34 N -0.22 0.34 -0.09 3.68 2.01 -0.78 -1.22 115.64 119.36 3sic s THR 34 Ca -0.03 -0.02 0.15 0.00 0.31 0.00 0.00 61.69 62.10 3sic s THR 34 Cb -0.02 -0.39 -0.22 0.00 0.01 0.00 0.00 72.50 71.88 3sic s THR 34 CO 0.00 0.18 0.19 0.00 -0.69 0.00 0.00 174.62 174.30 3sic s ALA 36 N -2.72 3.05 0.00 0.00 0.00 -1.26 -2.85 121.76 117.97 3sic s ALA 36 Ca -0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 3sic s ALA 36 Cb 0.07 -1.71 -0.22 0.00 0.00 0.00 0.00 23.12 21.26 3sic s ALA 36 CO 0.65 -0.00 1.12 -1.00 0.00 0.00 0.00 175.76 176.52 3sic h PRO 37 N 7.16 0.39 -6.22 0.00 0.13 -1.92 -3.45 132.00 128.08 3sic h PRO 37 Ca -0.34 -0.39 -0.59 0.00 -0.87 0.00 0.00 66.00 63.80 3sic h PRO 37 Cb 1.18 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 3sic h PRO 37 CO 0.62 1.06 -0.72 0.20 -0.23 0.00 0.00 178.00 178.93 3sic s GLY 38 N -4.01 1.80 0.12 1.56 0.00 -1.13 -5.09 107.32 100.57 3sic s GLY 38 Ca -0.14 -1.79 -0.31 0.00 0.00 0.00 0.00 44.72 42.48 3sic s GLY 38 CO 0.81 -1.87 1.66 -4.14 0.00 0.00 0.00 173.10 169.56 3sic s PRO 39 N -3.53 4.19 0.00 2.90 0.02 -1.25 -4.24 135.00 133.09 3sic s PRO 39 Ca 0.30 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3sic s PRO 39 Cb -0.06 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.06 3sic s PRO 39 CO 0.16 -0.71 0.00 -1.13 -0.33 0.00 0.00 177.00 175.00 3sic n SER 40 N 4.91 0.00 0.00 2.53 3.41 0.26 -4.81 113.62 119.92 3sic n SER 40 Ca 0.15 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3sic n SER 40 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3sic n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3sic n GLY 41 N 0.00 -1.94 3.43 5.00 0.00 -1.26 -1.86 105.19 108.56 3sic n GLY 41 Ca 0.00 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 3sic n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sic s THR 42 N -0.94 5.03 -0.21 2.61 -4.23 -0.81 -4.92 115.64 112.17 3sic s THR 42 Ca 0.00 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.28 3sic s THR 42 Cb 0.00 -4.77 0.10 0.00 1.34 0.00 0.00 72.50 69.17 3sic s THR 42 CO 0.00 -1.46 0.43 -2.28 -0.54 0.00 0.00 174.62 170.77 3sic s HIS 43 N 1.73 -0.84 -1.74 3.99 5.04 -1.25 -2.80 115.29 119.42 3sic s HIS 43 Ca 0.34 1.51 0.00 0.00 -1.54 0.00 0.00 55.06 55.37 3sic s HIS 43 Cb -0.05 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.88 3sic s HIS 43 CO -0.06 -0.51 0.35 -0.35 -2.34 0.00 0.00 174.74 171.82 3sic n PRO 44 N 5.39 0.40 -2.69 2.88 -0.04 -1.26 -3.06 135.00 136.62 3sic n PRO 44 Ca -0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 3sic n PRO 44 Cb 0.49 -1.05 0.08 0.00 -0.04 0.00 0.00 33.50 32.98 3sic n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3sic n ALA 45 N -0.29 -2.58 0.14 0.55 0.00 -1.26 -5.05 120.51 112.01 3sic n ALA 45 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 3sic n ALA 45 Cb 0.03 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.92 3sic n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3sic h ALA 46 N 3.07 -0.42 -0.94 0.00 0.00 -1.87 -2.53 119.26 116.58 3sic h ALA 46 Ca -0.22 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.73 3sic h ALA 46 Cb 1.16 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3sic h ALA 46 CO 0.01 -0.47 0.62 0.78 0.00 0.00 0.00 179.25 180.19 3sic h GLY 47 N -0.94 0.87 0.00 0.00 0.00 -1.91 -0.63 103.07 100.46 3sic h GLY 47 Ca -0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3sic h GLY 47 CO 0.07 -0.03 -0.59 1.76 0.00 0.00 0.00 176.54 177.75 3sic h SER 48 N 0.37 0.00 -0.61 0.19 0.02 -1.95 -2.11 113.55 109.47 3sic h SER 48 Ca 0.49 -0.71 0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3sic h SER 48 Cb 1.29 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.74 3sic h SER 48 CO -0.19 1.20 0.14 0.00 -1.14 0.00 0.00 176.83 176.84 3sic h ALA 49 N -0.29 0.73 -0.30 3.77 0.00 -1.17 3.72 119.26 125.73 3sic h ALA 49 Ca -0.16 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3sic h ALA 49 Cb 1.09 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3sic h ALA 49 CO -0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 179.25 178.81 3sic h ALA 51 N 1.28 0.86 0.26 0.00 0.00 0.54 0.80 119.26 123.00 3sic h ALA 51 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3sic h ALA 51 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3sic h ALA 51 CO -0.29 -0.13 -0.23 -0.44 0.00 0.00 0.00 179.25 178.16 3sic h ASP 52 N 0.49 -0.62 -0.39 0.00 3.32 0.88 -1.90 116.42 118.19 3sic h ASP 52 Ca 0.32 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.50 3sic h ASP 52 Cb 0.37 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 3sic h ASP 52 CO -0.29 -0.31 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.58 3sic h LEU 53 N -0.48 -0.89 -0.34 1.55 3.38 -0.58 -2.21 115.31 115.74 3sic h LEU 53 Ca -0.03 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3sic h LEU 53 Cb 0.41 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3sic h LEU 53 CO -0.01 -0.28 -0.23 0.00 0.09 0.00 0.00 178.44 178.00 3sic h ALA 54 N 0.93 -0.29 -0.40 1.53 0.00 -0.74 1.72 119.26 122.01 3sic h ALA 54 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3sic h ALA 54 Cb 0.50 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3sic h ALA 54 CO -0.51 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.30 3sic n ALA 55 N -3.04 0.00 1.50 0.00 0.00 -0.72 0.22 120.51 118.46 3sic n ALA 55 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3sic n ALA 55 Cb 0.11 0.11 0.68 0.00 0.00 0.00 0.00 19.45 20.35 3sic n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3sic n VAL 56 N -1.54 0.00 -3.23 0.00 0.31 -0.61 -4.91 118.33 108.36 3sic n VAL 56 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3sic n VAL 56 Cb 0.00 -0.60 0.04 0.00 -0.91 0.00 0.00 33.84 32.37 3sic n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3sic n GLY 57 N 0.49 -1.18 1.90 2.92 0.00 0.58 -3.15 105.19 106.75 3sic n GLY 57 Ca 0.17 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 3sic n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sic n GLY 58 N -1.46 -0.14 3.37 -0.02 0.00 0.67 -4.87 105.19 102.74 3sic n GLY 58 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 3sic n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3sic s ASP 59 N -1.66 6.54 0.48 1.61 2.15 -1.19 -5.02 116.67 119.59 3sic s ASP 59 Ca 0.00 -2.16 -0.24 0.00 0.43 0.00 0.00 52.55 50.58 3sic s ASP 59 Cb 0.00 -2.27 -0.08 0.00 -0.30 0.00 0.00 42.92 40.27 3sic s ASP 59 CO 0.00 -0.84 1.31 0.18 -0.17 0.00 0.00 175.17 175.65 3sic n LEU 60 N 5.23 4.68 0.00 -1.34 7.99 -1.26 -2.31 117.00 129.99 3sic n LEU 60 Ca 0.08 1.05 0.00 0.00 -0.01 0.00 0.00 56.01 57.12 3sic n LEU 60 Cb 0.46 -1.54 0.00 0.00 -0.11 0.00 0.00 43.42 42.23 3sic n LEU 60 CO 0.45 -0.63 0.00 0.59 -1.51 0.00 0.00 177.39 176.29 3sic n ASN 61 N -0.32 0.00 -2.21 -1.43 5.03 -1.26 -4.93 115.26 110.14 3sic n ASN 61 Ca 0.08 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.48 3sic n ASN 61 Cb 0.42 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.23 3sic n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3sic n ALA 62 N -1.18 3.27 -3.36 5.41 0.00 -0.98 -5.00 120.51 118.67 3sic n ALA 62 Ca 0.00 -3.00 -0.37 0.00 0.00 0.00 0.00 53.44 50.07 3sic n ALA 62 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3sic n ALA 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3sic n LEU 63 N -0.49 4.93 -2.99 0.00 7.94 -1.26 -4.92 117.00 120.21 3sic n LEU 63 Ca 0.17 -5.23 -0.37 0.00 -1.11 0.00 0.00 56.01 49.47 3sic n LEU 63 Cb 0.89 -1.08 -0.04 0.00 0.53 0.00 0.00 43.42 43.72 3sic n LEU 63 CO 0.13 1.71 0.25 0.35 -1.11 0.00 0.00 177.39 178.72 3sic n THR 64 N 1.65 0.45 0.00 1.96 -2.24 -1.26 -4.42 114.28 110.42 3sic n THR 64 Ca 0.25 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3sic n THR 64 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3sic n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3sic n ARG 65 N 0.89 0.00 0.00 -0.78 0.63 -1.25 -4.52 116.66 111.63 3sic n ARG 65 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3sic n ARG 65 Cb 0.09 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.00 3sic n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3sic n GLY 66 N 0.00 -0.29 2.22 5.14 0.00 -1.18 -4.62 105.19 106.45 3sic n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3sic n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3sic n GLU 67 N -1.92 0.00 -0.00 1.61 -0.58 -1.26 -4.66 120.64 113.82 3sic n GLU 67 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 3sic n GLU 67 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 3sic n GLU 67 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3sic n ASP 68 N 1.57 0.97 -4.25 1.62 2.03 -1.26 -5.02 116.55 112.22 3sic n ASP 68 Ca 0.00 -0.59 -0.28 0.00 0.52 0.00 0.00 54.79 54.45 3sic n ASP 68 Cb 0.00 1.18 -0.15 0.00 -0.72 0.00 0.00 41.12 41.43 3sic n ASP 68 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3sic s VAL 69 N -2.47 1.73 -0.03 5.18 0.11 -1.26 -5.12 120.40 118.53 3sic s VAL 69 Ca 0.02 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 3sic s VAL 69 Cb 0.10 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 3sic s VAL 69 CO 0.56 0.45 0.06 -0.04 -3.33 0.00 0.00 175.10 172.80 3sic s MET 70 N -0.63 3.05 0.30 1.54 -1.94 -1.26 -4.91 119.30 115.45 3sic s MET 70 Ca 0.08 -0.45 0.11 0.00 -1.71 0.00 0.00 55.69 53.72 3sic s MET 70 Cb -0.09 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 3sic s MET 70 CO -0.00 0.67 -0.16 0.00 -0.01 0.00 0.00 175.02 175.51 3sic s PRO 72 N -3.55 2.91 -0.63 0.00 0.02 -1.26 -4.92 135.00 127.57 3sic s PRO 72 Ca 0.30 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 3sic s PRO 72 Cb -0.02 -1.93 0.49 0.00 0.02 0.00 0.00 34.50 33.05 3sic s PRO 72 CO 0.15 -1.23 2.02 1.63 -0.33 0.00 0.00 177.00 179.24 3sic n LYS 73 N -1.77 2.61 -2.46 5.54 4.76 -1.26 -4.92 118.16 120.67 3sic n LYS 73 Ca 0.13 -3.24 -0.38 0.00 -2.87 0.00 0.00 58.31 51.95 3sic n LYS 73 Cb 0.50 -2.27 -0.04 0.00 -1.84 0.00 0.00 35.03 31.39 3sic n LYS 73 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3sic s VAL 74 N -4.56 3.50 -0.47 -0.18 -7.23 -1.26 -5.01 120.40 105.18 3sic s VAL 74 Ca 0.64 1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 61.98 3sic s VAL 74 Cb 0.50 -3.73 0.11 0.00 0.56 0.00 0.00 36.38 33.82 3sic s VAL 74 CO 0.01 0.14 0.36 -0.47 -0.31 0.00 0.00 175.10 174.84 3sic s TYR 75 N -1.44 3.34 -0.43 2.82 5.04 -1.26 -4.57 117.35 120.85 3sic s TYR 75 Ca 0.53 -1.53 0.07 0.00 -2.44 0.00 0.00 57.07 53.70 3sic s TYR 75 Cb -0.27 -3.38 0.24 0.00 0.35 0.00 0.00 41.96 38.89 3sic s TYR 75 CO 0.35 -0.94 0.62 -3.47 -1.34 0.00 0.00 175.55 170.77 3sic n ASP 76 N 5.02 -0.99 -4.59 4.32 2.03 0.12 -5.03 116.55 117.43 3sic n ASP 76 Ca -0.10 -2.85 -0.38 0.00 0.52 0.00 0.00 54.79 51.98 3sic n ASP 76 Cb 0.41 0.22 0.05 0.00 -0.72 0.00 0.00 41.12 41.08 3sic n ASP 76 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3sic n PRO 77 N 1.71 0.86 -4.47 -0.67 -0.04 -1.15 -4.10 135.00 127.15 3sic n PRO 77 Ca 0.18 0.33 -0.23 0.00 -0.04 0.00 0.00 63.50 63.75 3sic n PRO 77 Cb 0.56 -2.06 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 3sic n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3sic s VAL 78 N -1.53 0.94 -0.22 0.52 0.11 -0.29 -1.29 120.40 118.64 3sic s VAL 78 Ca 0.73 -0.39 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 3sic s VAL 78 Cb -0.44 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 3sic s VAL 78 CO 0.49 0.31 0.13 -0.22 -3.33 0.00 0.00 175.10 172.48 3sic s LEU 79 N 0.57 4.07 -0.09 2.54 2.96 0.48 -1.50 118.68 127.70 3sic s LEU 79 Ca -0.11 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3sic s LEU 79 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3sic s LEU 79 CO 0.02 0.10 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.85 3sic s LEU 80 N 0.82 3.01 -0.01 -0.68 2.96 0.09 -2.59 118.68 122.27 3sic s LEU 80 Ca 0.07 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3sic s LEU 80 Cb -0.13 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3sic s LEU 80 CO 0.02 0.28 -0.16 0.42 -1.32 0.00 0.00 176.35 175.59 3sic s THR 81 N -0.34 1.29 -0.19 3.68 -4.23 -0.78 -1.92 115.64 113.14 3sic s THR 81 Ca 0.04 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3sic s THR 81 Cb -0.12 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.69 3sic s THR 81 CO 0.02 0.37 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.75 3sic s VAL 82 N -0.39 1.07 -0.04 2.29 1.01 -0.39 -2.04 120.40 121.91 3sic s VAL 82 Ca 0.06 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3sic s VAL 82 Cb -0.06 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3sic s VAL 82 CO -0.01 -0.04 -0.24 -1.81 0.00 0.00 0.00 175.10 173.00 3sic s ASP 83 N 1.62 3.15 0.00 3.32 1.01 -0.19 -0.92 116.67 124.66 3sic s ASP 83 Ca -0.02 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.77 3sic s ASP 83 Cb -0.17 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.11 3sic s ASP 83 CO -0.07 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.20 3sic n GLY 84 N 2.71 -0.48 3.03 0.21 0.00 0.46 -1.00 105.19 110.12 3sic n GLY 84 Ca -0.17 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 3sic n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3sic s VAL 85 N -4.00 0.55 -0.08 1.61 -7.23 -0.84 0.17 120.40 110.58 3sic s VAL 85 Ca 0.00 -0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 3sic s VAL 85 Cb 0.00 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.41 3sic s VAL 85 CO 0.00 -0.16 -0.02 0.86 -0.31 0.00 0.00 175.10 175.47 3sic s TRP 86 N -0.86 0.82 -1.58 2.82 -0.00 0.27 -2.04 118.94 118.38 3sic s TRP 86 Ca -0.04 -0.27 -0.11 0.00 -0.00 0.00 0.00 56.10 55.67 3sic s TRP 86 Cb -0.07 -0.86 0.09 0.00 -0.00 0.00 0.00 33.47 32.63 3sic s TRP 86 CO 0.00 -0.35 0.67 0.94 -0.00 0.00 0.00 176.95 178.21 3sic n GLN 87 N 4.99 -3.45 -2.04 5.86 -0.06 -1.03 -0.50 117.38 121.16 3sic n GLN 87 Ca -0.10 0.41 -0.21 0.00 -2.00 0.00 0.00 57.00 55.10 3sic n GLN 87 Cb 0.50 -4.92 -0.05 0.00 -4.06 0.00 0.00 30.24 21.71 3sic n GLN 87 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3sic n GLY 88 N -1.66 0.63 3.44 1.69 0.00 -0.22 -4.90 105.19 104.18 3sic n GLY 88 Ca -0.07 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3sic n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3sic s LYS 89 N -4.46 3.34 0.38 1.61 2.20 0.35 -5.06 119.74 118.09 3sic s LYS 89 Ca 0.00 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.72 3sic s LYS 89 Cb 0.00 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 3sic s LYS 89 CO 0.00 0.31 1.29 1.03 -0.36 0.00 0.00 175.35 177.61 3sic s ARG 90 N 0.13 4.12 -0.03 4.03 0.52 -1.26 0.97 118.95 127.44 3sic s ARG 90 Ca -0.04 2.14 0.01 0.00 -0.52 0.00 0.00 55.73 57.32 3sic s ARG 90 Cb -0.14 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.48 3sic s ARG 90 CO 0.04 -0.36 -0.04 0.08 0.02 0.00 0.00 175.30 175.04 3sic s VAL 91 N -1.23 0.46 -0.41 3.52 1.01 0.44 -4.87 120.40 119.32 3sic s VAL 91 Ca 0.54 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.43 3sic s VAL 91 Cb -0.38 -0.46 0.17 0.00 0.00 0.00 0.00 36.38 35.71 3sic s VAL 91 CO 0.49 0.18 0.48 -0.94 0.00 0.00 0.00 175.10 175.31 3sic s SER 92 N 0.56 0.22 0.19 3.32 1.04 -1.24 -0.40 113.70 117.39 3sic s SER 92 Ca -0.07 -1.68 0.05 0.00 0.48 0.00 0.00 55.95 54.73 3sic s SER 92 Cb -0.10 0.93 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3sic s SER 92 CO -0.00 -0.19 0.22 -0.47 0.98 0.00 0.00 173.24 173.78 3sic s TYR 93 N 1.20 3.27 -0.15 5.02 5.04 -0.10 -4.96 117.35 126.68 3sic s TYR 93 Ca 0.21 -0.01 -0.18 0.00 -2.44 0.00 0.00 57.07 54.66 3sic s TYR 93 Cb -0.08 -1.53 0.05 0.00 0.35 0.00 0.00 41.96 40.74 3sic s TYR 93 CO -0.06 0.51 0.48 -2.00 -1.34 0.00 0.00 175.55 173.13 3sic s GLU 94 N -3.44 0.63 -0.28 4.97 2.12 -1.26 -1.26 118.70 120.17 3sic s GLU 94 Ca 0.33 0.51 -0.21 0.00 0.36 0.00 0.00 54.97 55.96 3sic s GLU 94 Cb -0.10 0.30 0.12 0.00 0.26 0.00 0.00 34.13 34.71 3sic s GLU 94 CO 0.26 -0.11 0.93 0.50 -0.54 0.00 0.00 175.26 176.31 3sic s ARG 95 N -0.11 0.53 -0.25 4.30 3.00 -0.81 -5.01 118.95 120.60 3sic s ARG 95 Ca -0.03 0.75 -0.09 0.00 -1.00 0.00 0.00 55.73 55.35 3sic s ARG 95 Cb -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 34.95 35.07 3sic s ARG 95 CO 0.02 -0.08 0.14 0.14 0.00 0.00 0.00 175.30 175.51 3sic s VAL 96 N 0.80 4.97 -0.02 7.11 -7.23 -1.26 -0.73 120.40 124.03 3sic s VAL 96 Ca -0.03 0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 3sic s VAL 96 Cb -0.05 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 3sic s VAL 96 CO -0.10 0.31 0.09 -0.36 -0.31 0.00 0.00 175.10 174.73 3sic s PHE 97 N 1.46 3.34 -0.22 2.82 0.40 -0.56 -4.94 117.98 120.27 3sic s PHE 97 Ca 0.06 0.26 0.23 0.00 -0.60 0.00 0.00 56.93 56.88 3sic s PHE 97 Cb -0.15 -1.77 1.19 0.00 0.51 0.00 0.00 43.02 42.79 3sic s PHE 97 CO 0.07 0.57 1.71 0.66 0.70 0.00 0.00 175.22 178.93 3sic h SER 98 N 4.24 0.00 -5.49 1.36 4.64 -1.91 -0.74 113.55 115.65 3sic h SER 98 Ca -0.50 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.02 3sic h SER 98 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3sic h SER 98 CO 0.62 0.00 0.64 0.54 -0.87 0.00 0.00 176.83 177.76 3sic s ASN 99 N -4.15 -0.00 0.22 4.97 2.20 -1.26 -0.70 114.94 116.22 3sic s ASN 99 Ca -0.01 -0.58 0.16 0.00 -0.94 0.00 0.00 52.86 51.49 3sic s ASN 99 Cb 0.07 0.43 0.02 0.00 -2.00 0.00 0.00 41.25 39.77 3sic s ASN 99 CO 0.25 -0.86 1.25 -0.08 -2.94 0.00 0.00 177.10 174.72 3sic h GLU 100 N 2.00 0.00 -0.50 3.55 4.81 -1.86 -2.95 114.58 119.64 3sic h GLU 100 Ca -0.27 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3sic h GLU 100 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3sic h GLU 100 CO 0.35 0.38 0.05 0.00 -0.73 0.00 0.00 179.01 179.06 3sic h GLU 102 N 0.72 -0.48 -0.30 0.00 4.39 -1.94 0.26 114.58 117.23 3sic h GLU 102 Ca 0.15 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.94 3sic h GLU 102 Cb 0.44 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 3sic h GLU 102 CO 0.02 -0.32 -0.39 1.98 -1.16 0.00 0.00 179.01 179.14 3sic h MET 103 N -0.50 -0.35 -0.33 2.33 4.05 -1.29 -2.35 114.93 116.50 3sic h MET 103 Ca -0.04 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3sic h MET 103 Cb 0.40 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 3sic h MET 103 CO 0.05 -0.23 0.07 -0.91 0.23 0.00 0.00 176.91 176.12 3sic h ASN 104 N -0.36 0.44 0.00 1.39 -0.26 -0.44 -2.16 115.58 114.20 3sic h ASN 104 Ca 0.12 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3sic h ASN 104 Cb 0.58 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3sic h ASN 104 CO -0.49 0.46 0.00 0.00 -1.06 0.00 0.00 177.43 176.34 3sic n ALA 105 N -2.48 2.48 -0.04 -0.83 0.00 0.88 -4.00 120.51 116.52 3sic n ALA 105 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 3sic n ALA 105 Cb 0.19 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 3sic n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3sic h HIS 106 N 0.00 0.00 0.00 0.00 3.86 -1.21 -3.13 115.15 114.67 3sic h HIS 106 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3sic h HIS 106 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3sic h HIS 106 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3sic n GLY 107 N 1.81 -0.59 0.03 2.45 0.00 -1.26 -3.89 105.19 103.75 3sic n GLY 107 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3sic n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sic n SER 108 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.73 113.62 112.65 3sic n SER 108 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3sic n SER 108 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3sic n SER 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3sic n SER 109 N -0.89 0.00 -0.04 4.04 3.41 -1.26 -4.69 113.62 114.19 3sic n SER 109 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3sic n SER 109 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3sic n SER 109 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3sic h VAL 110 N 0.00 1.04 -3.68 -3.33 2.07 -1.88 -2.39 116.25 108.08 3sic h VAL 110 Ca 0.00 -0.09 -0.76 0.00 0.82 0.00 0.00 66.70 66.67 3sic h VAL 110 Cb 0.00 0.77 -0.30 0.00 -1.52 0.00 0.00 31.29 30.24 3sic h VAL 110 CO 0.00 0.05 0.01 -0.36 0.02 0.00 0.00 177.57 177.29 3sic s PHE 111 N -6.18 3.75 -0.16 1.57 0.08 -1.26 -4.45 117.98 111.33 3sic s PHE 111 Ca -0.13 -2.38 0.19 0.00 0.12 0.00 0.00 56.93 54.73 3sic s PHE 111 Cb 0.08 -3.61 0.39 0.00 -0.57 0.00 0.00 43.02 39.32 3sic s PHE 111 CO 0.69 -0.92 1.19 0.00 -0.10 0.00 0.00 175.22 176.08 3sic n ALA 112 N 3.51 2.75 -0.70 5.36 0.00 -0.90 -4.38 120.51 126.15 3sic n ALA 112 Ca 0.14 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.59 3sic n ALA 112 Cb 0.43 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3sic n ALA 112 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47