#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln s SER 2 N 0.00 -0.01 -0.35 1.61 1.04 -1.26 -5.12 113.70 109.61 1wln s SER 2 Ca 0.00 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1wln s SER 2 Cb 0.00 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.30 1wln s SER 2 CO 0.00 -0.04 0.13 -0.94 0.98 0.00 0.00 173.24 173.37 1wln s SER 3 N -0.13 4.07 0.00 7.02 1.04 -1.26 -5.04 113.70 119.40 1wln s SER 3 Ca -0.02 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 54.39 1wln s SER 3 Cb -0.01 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.05 1wln s SER 3 CO -0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1wln n GLY 4 N 4.36 -0.84 3.46 7.32 0.00 -1.26 -5.00 105.19 113.23 1wln n GLY 4 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1wln n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wln n SER 5 N 0.00 -1.72 -2.95 1.61 3.41 -1.26 -5.04 113.62 107.67 1wln n SER 5 Ca 0.00 -0.13 0.03 0.00 -0.26 0.00 0.00 58.87 58.51 1wln n SER 5 Cb 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 1wln n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wln s SER 6 N -2.35 -0.64 0.00 4.04 1.04 -1.26 -5.11 113.70 109.42 1wln s SER 6 Ca 0.67 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1wln s SER 6 Cb -0.24 0.98 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wln s SER 6 CO 0.65 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1wln n GLY 7 N 4.23 1.42 0.24 7.32 0.00 -1.26 -5.02 105.19 112.12 1wln n GLY 7 Ca 0.07 0.37 0.14 0.00 0.00 0.00 0.00 46.02 46.60 1wln n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln h PRO 8 N 0.00 0.00 -0.93 1.61 0.13 -2.01 -2.95 132.00 127.85 1wln h PRO 8 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1wln h PRO 8 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1wln h PRO 8 CO 0.00 0.04 0.35 -0.85 -0.23 0.00 0.00 178.00 177.31 1wln n GLU 9 N -3.13 2.28 -2.70 0.86 0.28 -1.26 -3.97 120.64 113.00 1wln n GLU 9 Ca 0.02 -2.09 -0.05 0.00 -0.16 0.00 0.00 57.16 54.88 1wln n GLU 9 Cb 0.43 -1.86 0.11 0.00 1.43 0.00 0.00 31.44 31.55 1wln n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wln n LYS 10 N -0.39 1.30 -4.52 3.44 5.02 -1.11 -4.74 118.16 117.16 1wln n LYS 10 Ca 0.36 -1.90 -0.30 0.00 -2.02 0.00 0.00 58.31 54.45 1wln n LYS 10 Cb 1.22 -0.14 -0.13 0.00 -0.02 0.00 0.00 35.03 35.96 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wln s LEU 11 N -3.58 2.43 0.22 -0.35 1.43 -1.26 -4.05 118.68 113.53 1wln s LEU 11 Ca 0.18 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1wln s LEU 11 Cb 0.42 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 1wln s LEU 11 CO -0.09 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.64 1wln s PRO 12 N -1.81 4.62 0.10 1.29 0.04 -1.26 -4.20 135.00 133.77 1wln s PRO 12 Ca 0.15 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1wln s PRO 12 Cb -0.10 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wln s PRO 12 CO 0.06 0.14 0.04 1.52 0.04 0.00 0.00 177.00 178.79 1wln s TYR 13 N -0.63 0.66 -0.20 0.56 -0.85 -1.07 0.69 117.35 116.50 1wln s TYR 13 Ca 0.47 -1.11 -0.04 0.00 -0.52 0.00 0.00 57.07 55.87 1wln s TYR 13 Cb -0.30 -0.40 -0.02 0.00 0.38 0.00 0.00 41.96 41.61 1wln s TYR 13 CO 0.37 -0.47 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.40 1wln s LEU 14 N -2.98 3.09 -0.25 -3.49 2.01 -0.78 -1.38 118.68 114.90 1wln s LEU 14 Ca 0.16 -0.28 -0.09 0.00 0.01 0.00 0.00 54.13 53.93 1wln s LEU 14 Cb 0.07 -1.78 -0.04 0.00 0.01 0.00 0.00 46.19 44.46 1wln s LEU 14 CO -0.04 0.04 0.11 0.54 1.01 0.00 0.00 176.35 178.01 1wln s VAL 15 N 1.14 4.70 0.02 -1.59 0.11 0.10 -2.46 120.40 122.41 1wln s VAL 15 Ca 0.02 -0.04 -0.36 0.00 -2.93 0.00 0.00 61.98 58.67 1wln s VAL 15 Cb -0.15 -3.20 -0.15 0.00 -1.53 0.00 0.00 36.38 31.35 1wln s VAL 15 CO 0.00 0.33 1.55 1.21 -3.33 0.00 0.00 175.10 174.86 1wln n GLU 16 N 4.78 1.57 -4.27 1.54 2.13 -0.95 0.19 120.64 125.63 1wln n GLU 16 Ca -0.15 0.57 -0.23 0.00 0.66 0.00 0.00 57.16 58.00 1wln n GLU 16 Cb 0.52 -2.28 -0.07 0.00 0.27 0.00 0.00 31.44 29.87 1wln n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wln s LEU 17 N 1.65 3.13 1.19 4.31 1.43 0.45 -4.78 118.68 126.05 1wln s LEU 17 Ca 0.87 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1wln s LEU 17 Cb -0.86 -1.61 0.29 0.00 0.03 0.00 0.00 46.19 44.04 1wln s LEU 17 CO 0.48 -0.11 1.02 -0.55 0.23 0.00 0.00 176.35 177.43 1wln s SER 18 N -3.71 0.85 0.00 2.29 0.15 0.29 -4.56 113.70 109.01 1wln s SER 18 Ca 0.33 1.36 0.23 0.00 0.70 0.00 0.00 55.95 58.58 1wln s SER 18 Cb -0.04 -2.10 1.27 0.00 -1.71 0.00 0.00 66.02 63.44 1wln s SER 18 CO 0.20 -4.26 1.76 -0.81 1.20 0.00 0.00 173.24 171.34 1wln n PRO 19 N -4.94 0.51 -0.00 5.44 -0.04 -1.26 -2.22 135.00 132.49 1wln n PRO 19 Ca 0.04 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1wln n PRO 19 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1wln n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wln n ASP 20 N -1.16 2.09 0.00 3.54 2.03 -1.26 -5.00 116.55 116.79 1wln n ASP 20 Ca 0.14 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1wln n ASP 20 Cb 0.14 1.32 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 21 N 1.74 0.92 3.39 0.27 0.00 -0.94 -5.13 105.19 105.44 1wln n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1wln n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wln s SER 22 N -1.78 3.01 -0.20 1.61 1.04 -1.26 -4.84 113.70 111.28 1wln s SER 22 Ca 0.00 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1wln s SER 22 Cb 0.00 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 1wln s SER 22 CO 0.00 -0.04 -0.05 -1.81 0.98 0.00 0.00 173.24 172.32 1wln s ASP 23 N -3.14 4.30 0.00 7.02 1.11 -1.26 0.10 116.67 124.80 1wln s ASP 23 Ca 0.23 -0.36 0.00 0.00 0.18 0.00 0.00 52.55 52.60 1wln s ASP 23 Cb -0.04 -1.72 0.00 0.00 1.07 0.00 0.00 42.92 42.22 1wln s ASP 23 CO 0.10 0.02 0.00 -0.24 1.18 0.00 0.00 175.17 176.22 1wln n SER 24 N 4.54 0.00 -2.63 0.27 2.88 -1.26 -5.04 113.62 112.38 1wln n SER 24 Ca -0.18 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.34 1wln n SER 24 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wln n ARG 25 N 0.00 -1.18 -0.43 -1.46 5.12 -1.26 -4.62 116.66 112.83 1wln n ARG 25 Ca 0.00 1.36 0.06 0.00 -1.93 0.00 0.00 57.85 57.34 1wln n ARG 25 Cb 0.00 -4.68 -0.01 0.00 -1.16 0.00 0.00 32.46 26.61 1wln n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wln n ASP 26 N -1.27 -3.91 -4.61 0.55 2.03 -1.26 -4.30 116.55 103.77 1wln n ASP 26 Ca 0.02 0.47 -0.43 0.00 0.52 0.00 0.00 54.79 55.37 1wln n ASP 26 Cb 0.46 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wln s LYS 27 N -0.93 3.50 0.70 -0.67 3.01 -1.26 -4.96 119.74 119.13 1wln s LYS 27 Ca 0.00 1.78 -0.11 0.00 -1.01 0.00 0.00 55.97 56.63 1wln s LYS 27 Cb 0.00 -4.19 0.01 0.00 -1.01 0.00 0.00 37.83 32.64 1wln s LYS 27 CO 0.00 -1.66 1.06 -1.25 0.51 0.00 0.00 175.35 174.02 1wln s PRO 28 N 5.42 2.87 0.62 -1.68 0.04 -1.26 -5.01 135.00 135.99 1wln s PRO 28 Ca 0.84 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1wln s PRO 28 Cb -0.28 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1wln s PRO 28 CO 0.34 -1.14 1.16 0.21 0.04 0.00 0.00 177.00 177.60 1wln s LYS 29 N -5.06 2.88 0.16 4.56 2.20 -1.26 -4.85 119.74 118.38 1wln s LYS 29 Ca 0.58 1.62 0.05 0.00 -0.36 0.00 0.00 55.97 57.86 1wln s LYS 29 Cb -0.14 -1.94 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 1wln s LYS 29 CO 0.55 -1.23 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.05 1wln s LEU 30 N -4.42 2.48 -0.29 5.43 2.96 -1.26 -2.25 118.68 121.32 1wln s LEU 30 Ca 0.72 -1.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1wln s LEU 30 Cb -0.25 -0.35 0.15 0.00 0.50 0.00 0.00 46.19 46.23 1wln s LEU 30 CO 0.36 -0.35 0.35 -0.31 -1.32 0.00 0.00 176.35 175.08 1wln s TYR 31 N -3.32 -0.70 0.14 5.38 2.02 -1.03 -4.95 117.35 114.89 1wln s TYR 31 Ca 0.19 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.61 1wln s TYR 31 Cb 0.03 -0.32 -0.07 0.00 -0.40 0.00 0.00 41.96 41.20 1wln s TYR 31 CO 0.02 -0.95 1.15 1.03 -1.57 0.00 0.00 175.55 175.23 1wln s ARG 32 N 2.40 4.52 -0.45 -0.62 0.52 -1.26 -1.86 118.95 122.19 1wln s ARG 32 Ca 0.10 1.76 -0.15 0.00 -0.52 0.00 0.00 55.73 56.92 1wln s ARG 32 Cb -0.13 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.10 1wln s ARG 32 CO -0.31 -0.07 0.36 -0.51 0.02 0.00 0.00 175.30 174.79 1wln s LEU 33 N 0.14 5.45 0.56 2.53 1.43 0.22 -4.95 118.68 124.04 1wln s LEU 33 Ca 0.53 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1wln s LEU 33 Cb -0.30 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1wln s LEU 33 CO 0.33 -0.59 0.96 -1.10 0.23 0.00 0.00 176.35 176.19 1wln s GLN 34 N 1.63 3.69 1.06 1.70 -0.21 -1.26 -4.19 119.66 122.08 1wln s GLN 34 Ca 0.04 0.69 -0.21 0.00 0.02 0.00 0.00 55.36 55.91 1wln s GLN 34 Cb -0.23 -2.16 0.02 0.00 1.00 0.00 0.00 33.01 31.64 1wln s GLN 34 CO 0.07 -0.40 -0.43 1.28 -2.12 0.00 0.00 175.29 173.69 1wln n LEU 35 N -2.29 -2.42 0.00 2.90 4.77 -1.26 -4.65 117.00 114.04 1wln n LEU 35 Ca 0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wln n LEU 35 Cb 0.54 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1wln n LEU 35 CO 0.54 -2.89 0.00 -1.20 -1.33 0.00 0.00 177.39 172.51 1wln n SER 36 N -0.01 -0.02 -4.74 -1.43 7.64 -1.26 -4.84 113.62 108.96 1wln n SER 36 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1wln n SER 36 Cb 0.62 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 1wln n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wln s VAL 37 N 0.00 4.34 -0.31 0.44 1.01 -1.26 -3.30 120.40 121.32 1wln s VAL 37 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1wln s VAL 37 Cb 0.00 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1wln s VAL 37 CO 0.00 0.12 0.12 -0.89 0.00 0.00 0.00 175.10 174.46 1wln s THR 38 N -1.36 0.40 -0.26 3.92 2.01 -0.99 -4.89 115.64 114.48 1wln s THR 38 Ca 0.28 -1.16 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 1wln s THR 38 Cb -0.12 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1wln s THR 38 CO 0.21 -0.73 1.52 -1.61 -0.69 0.00 0.00 174.62 173.32 1wln s GLU 39 N 1.77 3.79 0.53 4.92 8.01 -1.26 -2.20 118.70 134.27 1wln s GLU 39 Ca 0.10 1.49 -0.00 0.00 0.01 0.00 0.00 54.97 56.57 1wln s GLU 39 Cb -0.17 -4.00 0.02 0.00 -4.31 0.00 0.00 34.13 25.67 1wln s GLU 39 CO -0.28 -1.29 0.76 0.08 0.01 0.00 0.00 175.26 174.54 1wln s VAL 40 N 5.06 3.14 0.00 2.63 1.01 0.95 -3.41 120.40 129.79 1wln s VAL 40 Ca 0.67 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1wln s VAL 40 Cb -0.22 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wln s VAL 40 CO 0.28 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1wln n GLY 41 N -2.31 0.30 0.00 4.51 0.00 -1.14 0.12 105.19 106.67 1wln n GLY 41 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1wln n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 42 N 0.00 0.73 -4.17 2.61 -2.24 0.26 0.17 114.28 111.65 1wln n THR 42 Ca 0.00 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.74 1wln n THR 42 Cb 0.00 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 1wln n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wln s GLU 43 N -0.73 2.65 -0.32 -0.78 0.41 -1.22 -4.89 118.70 113.82 1wln s GLU 43 Ca 0.00 -1.11 -0.06 0.00 -0.41 0.00 0.00 54.97 53.39 1wln s GLU 43 Cb 0.00 -2.44 0.03 0.00 -1.78 0.00 0.00 34.13 29.94 1wln s GLU 43 CO 0.00 0.42 0.07 0.21 -0.49 0.00 0.00 175.26 175.48 1wln s LYS 44 N -3.44 2.73 -0.16 1.61 2.47 -1.26 -4.75 119.74 116.94 1wln s LYS 44 Ca 0.31 -1.10 -0.12 0.00 -1.56 0.00 0.00 55.97 53.50 1wln s LYS 44 Cb -0.08 -3.37 -0.07 0.00 -1.46 0.00 0.00 37.83 32.85 1wln s LYS 44 CO 0.22 -0.58 -0.27 1.19 0.16 0.00 0.00 175.35 176.06 1wln n PHE 45 N 4.79 0.00 -4.46 4.03 3.01 -1.26 -5.07 117.46 118.50 1wln n PHE 45 Ca -0.13 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.09 1wln n PHE 45 Cb 0.45 -0.56 -0.04 0.00 -0.01 0.00 0.00 39.48 39.32 1wln n PHE 45 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1wln n ASP 46 N -4.10 2.95 0.08 4.37 5.75 -1.26 -5.05 116.55 119.28 1wln n ASP 46 Ca -0.26 -2.61 -0.20 0.00 -0.01 0.00 0.00 54.79 51.71 1wln n ASP 46 Cb 0.59 0.23 -0.11 0.00 -1.03 0.00 0.00 41.12 40.79 1wln n ASP 46 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1wln h ASP 47 N 0.85 0.80 -1.47 -1.12 5.19 -1.97 -3.26 116.42 115.44 1wln h ASP 47 Ca -0.31 -0.70 -0.63 0.00 -0.62 0.00 0.00 57.03 54.78 1wln h ASP 47 Cb 0.94 -0.25 -0.22 0.00 0.18 0.00 0.00 39.33 39.98 1wln h ASP 47 CO 0.50 1.51 0.73 0.59 -3.12 0.00 0.00 179.24 179.45 1wln n ASN 48 N -3.78 7.04 -4.80 6.45 4.13 -1.26 -4.94 115.26 118.10 1wln n ASN 48 Ca -0.11 -3.53 -0.29 0.00 1.68 0.00 0.00 54.58 52.33 1wln n ASN 48 Cb 0.94 -1.14 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wln s SER 49 N -0.44 5.59 -0.15 6.41 1.04 -1.23 -4.64 113.70 120.28 1wln s SER 49 Ca 0.55 -0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 1wln s SER 49 Cb 0.41 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.99 1wln s SER 49 CO -0.29 0.12 0.41 -0.63 0.98 0.00 0.00 173.24 173.83 1wln s ILE 50 N -1.56 5.22 -0.38 -1.02 1.01 -1.22 -5.01 121.20 118.24 1wln s ILE 50 Ca 0.30 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.76 1wln s ILE 50 Cb -0.11 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.72 1wln s ILE 50 CO 0.23 0.32 0.12 -1.58 0.00 0.00 0.00 174.94 174.03 1wln s GLN 51 N 0.75 1.68 0.33 2.79 0.74 -1.26 -2.91 119.66 121.79 1wln s GLN 51 Ca 0.22 -1.94 0.08 0.00 0.05 0.00 0.00 55.36 53.77 1wln s GLN 51 Cb -0.14 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1wln s GLN 51 CO 0.08 -0.99 0.26 -0.51 -0.55 0.00 0.00 175.29 173.58 1wln s LEU 52 N 0.85 3.56 -0.12 3.68 1.43 0.45 -4.97 118.68 123.56 1wln s LEU 52 Ca 0.11 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1wln s LEU 52 Cb -0.21 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 43.93 1wln s LEU 52 CO -0.06 -0.33 0.19 -0.36 0.23 0.00 0.00 176.35 176.02 1wln s PHE 53 N -2.31 -0.24 0.08 0.29 0.08 -1.26 -3.85 117.98 110.77 1wln s PHE 53 Ca 0.40 0.58 -0.26 0.00 0.12 0.00 0.00 56.93 57.76 1wln s PHE 53 Cb -0.05 -0.25 0.08 0.00 -0.57 0.00 0.00 43.02 42.23 1wln s PHE 53 CO 0.26 -0.36 0.83 0.20 -0.10 0.00 0.00 175.22 176.04 1wln s GLY 54 N 2.32 -0.43 -0.59 4.36 0.00 -1.26 -5.02 107.32 106.71 1wln s GLY 54 Ca 0.03 0.64 -0.27 0.00 0.00 0.00 0.00 44.72 45.12 1wln s GLY 54 CO -0.08 0.20 1.51 2.56 0.00 0.00 0.00 173.10 177.30 1wln s PRO 55 N -3.34 3.14 0.00 2.90 0.04 -1.26 -2.53 135.00 133.94 1wln s PRO 55 Ca 0.06 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1wln s PRO 55 Cb -0.01 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1wln s PRO 55 CO -0.07 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1wln n GLY 56 N 5.38 1.73 3.84 0.56 0.00 -1.26 -5.00 105.19 110.44 1wln n GLY 56 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -2.00 4.80 0.54 -0.61 -1.09 -1.05 -4.75 121.20 117.04 1wln s ILE 57 Ca 0.00 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1wln s ILE 57 Cb 0.00 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1wln s ILE 57 CO 0.00 0.00 0.12 -1.10 -1.23 0.00 0.00 174.94 172.73 1wln s GLN 58 N -2.83 2.23 -0.07 2.79 -1.52 -1.26 -4.93 119.66 114.08 1wln s GLN 58 Ca 0.32 -2.35 -0.15 0.00 -1.95 0.00 0.00 55.36 51.23 1wln s GLN 58 Cb -0.11 -1.67 -0.11 0.00 -0.22 0.00 0.00 33.01 30.89 1wln s GLN 58 CO 0.25 -0.49 0.60 -1.00 -0.25 0.00 0.00 175.29 174.39 1wln h PRO 59 N 1.11 -0.22 -3.20 2.91 0.13 -1.92 0.77 132.00 131.59 1wln h PRO 59 Ca -0.42 0.02 -0.75 0.00 -0.87 0.00 0.00 66.00 63.98 1wln h PRO 59 Cb 1.32 0.05 -0.32 0.00 0.13 0.00 0.00 31.00 32.19 1wln h PRO 59 CO 0.68 0.10 0.26 1.58 -0.23 0.00 0.00 178.00 180.40 1wln n HIS 60 N -4.91 4.05 0.53 1.56 -0.00 -1.22 -3.15 115.22 112.07 1wln n HIS 60 Ca -0.06 -3.69 -0.21 0.00 -0.00 0.00 0.00 57.72 53.77 1wln n HIS 60 Cb 0.21 -1.30 -0.10 0.00 -0.00 0.00 0.00 29.99 28.80 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1wln h HIS 61 N 5.90 -1.26 -3.52 1.57 2.76 0.80 -3.25 115.15 118.15 1wln h HIS 61 Ca 0.18 -0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 1wln h HIS 61 Cb 0.77 0.42 -0.04 0.00 1.55 0.00 0.00 27.41 30.11 1wln h HIS 61 CO 0.80 -0.78 0.06 0.00 -1.30 0.00 0.00 177.93 176.71 1wln s ASP 63 N -3.14 1.76 -0.36 0.00 1.47 0.05 -0.03 116.67 116.42 1wln s ASP 63 Ca 0.22 -0.18 -0.21 0.00 1.18 0.00 0.00 52.55 53.57 1wln s ASP 63 Cb -0.03 -0.61 0.00 0.00 -0.34 0.00 0.00 42.92 41.95 1wln s ASP 63 CO 0.15 -0.15 0.66 -0.76 0.68 0.00 0.00 175.17 175.76 1wln s LEU 64 N 1.74 4.24 -0.20 2.11 2.01 -0.93 -2.97 118.68 124.67 1wln s LEU 64 Ca 0.03 0.18 -0.03 0.00 0.01 0.00 0.00 54.13 54.32 1wln s LEU 64 Cb -0.13 -2.82 -0.00 0.00 0.01 0.00 0.00 46.19 43.25 1wln s LEU 64 CO -0.06 -0.61 -0.08 -0.89 1.01 0.00 0.00 176.35 175.72 1wln s THR 65 N 2.76 3.13 -0.49 5.49 2.01 -1.26 -2.33 115.64 124.96 1wln s THR 65 Ca 0.25 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.49 1wln s THR 65 Cb -0.14 -2.40 0.06 0.00 0.01 0.00 0.00 72.50 70.02 1wln s THR 65 CO 0.15 0.45 0.54 0.21 -0.69 0.00 0.00 174.62 175.29 1wln s ASN 66 N 1.31 6.20 -0.39 3.53 2.47 -1.21 -3.16 114.94 123.70 1wln s ASN 66 Ca 0.04 -0.99 0.04 0.00 0.42 0.00 0.00 52.86 52.36 1wln s ASN 66 Cb -0.14 -2.25 0.11 0.00 -1.45 0.00 0.00 41.25 37.51 1wln s ASN 66 CO -0.04 -0.79 0.11 -0.04 -3.72 0.00 0.00 177.10 172.62 1wln s MET 67 N 2.31 1.64 -0.53 0.43 -1.94 0.30 -4.52 119.30 116.99 1wln s MET 67 Ca 0.12 -2.06 -0.01 0.00 -1.71 0.00 0.00 55.69 52.02 1wln s MET 67 Cb -0.20 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 1wln s MET 67 CO 0.11 -0.99 0.49 -0.25 -0.01 0.00 0.00 175.02 174.37 1wln n ASP 68 N 3.99 -5.38 -2.54 3.03 8.00 -1.26 -3.05 116.55 119.35 1wln n ASP 68 Ca 0.04 -0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 1wln n ASP 68 Cb 0.40 -3.61 -0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 69 N -1.43 -0.50 2.99 0.44 0.00 -1.26 -4.90 105.19 100.53 1wln n GLY 69 Ca -0.02 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1wln n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wln s VAL 70 N -2.41 0.82 0.01 1.61 1.01 -1.17 -5.11 120.40 115.16 1wln s VAL 70 Ca 0.03 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1wln s VAL 70 Cb -0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1wln s VAL 70 CO 0.04 0.27 -0.24 -0.69 0.00 0.00 0.00 175.10 174.47 1wln s VAL 71 N 0.43 1.95 -0.07 2.92 1.01 -1.26 0.11 120.40 125.49 1wln s VAL 71 Ca -0.07 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 1wln s VAL 71 Cb -0.11 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1wln s VAL 71 CO 0.01 0.45 0.03 0.42 0.00 0.00 0.00 175.10 176.01 1wln s THR 72 N -0.66 0.18 -0.19 3.92 -4.23 -1.19 -0.64 115.64 112.83 1wln s THR 72 Ca 0.10 0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.51 1wln s THR 72 Cb -0.09 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 1wln s THR 72 CO 0.00 0.19 1.64 0.54 -0.54 0.00 0.00 174.62 176.45 1wln s VAL 73 N 2.05 3.65 -0.32 2.29 0.11 0.42 -4.00 120.40 124.61 1wln s VAL 73 Ca 0.05 0.75 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 1wln s VAL 73 Cb -0.13 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.17 1wln s VAL 73 CO -0.05 -0.23 0.01 -0.89 -3.33 0.00 0.00 175.10 170.61 1wln s THR 74 N 5.06 2.56 -0.24 5.04 2.01 -1.16 -0.40 115.64 128.50 1wln s THR 74 Ca 0.73 -1.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1wln s THR 74 Cb -0.27 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1wln s THR 74 CO 0.29 -0.33 1.32 -2.16 -0.69 0.00 0.00 174.62 173.05 1wln s PRO 75 N 1.08 4.01 -0.27 4.92 0.04 -1.26 -0.77 135.00 142.75 1wln s PRO 75 Ca 0.01 1.43 0.09 0.00 0.04 0.00 0.00 61.00 62.58 1wln s PRO 75 Cb -0.20 -3.86 0.49 0.00 0.04 0.00 0.00 34.50 30.97 1wln s PRO 75 CO -0.05 -0.99 1.41 0.54 0.04 0.00 0.00 177.00 177.94 1wln n ARG 76 N 7.11 1.80 -4.03 4.56 5.12 -1.15 -4.93 116.66 125.13 1wln n ARG 76 Ca 0.15 -3.20 -0.25 0.00 -1.93 0.00 0.00 57.85 52.61 1wln n ARG 76 Cb 0.46 -1.77 -0.17 0.00 -1.16 0.00 0.00 32.46 29.82 1wln n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wln s SER 77 N -2.69 1.90 -1.45 0.55 0.01 -1.23 -4.91 113.70 105.88 1wln s SER 77 Ca 0.43 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 1wln s SER 77 Cb 0.40 -0.74 -0.08 0.00 0.21 0.00 0.00 66.02 65.81 1wln s SER 77 CO -0.02 -0.10 2.73 0.80 0.41 0.00 0.00 173.24 177.07 1wln n MET 78 N 4.68 3.29 0.00 12.44 1.56 -1.26 -2.68 117.12 135.14 1wln n MET 78 Ca -0.15 -2.04 0.00 0.00 -0.27 0.00 0.00 57.70 55.24 1wln n MET 78 Cb 0.50 -2.74 0.00 0.00 2.15 0.00 0.00 33.22 33.13 1wln n MET 78 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1wln n ASP 79 N 3.86 0.00 -4.62 6.12 8.00 -1.26 -5.11 116.55 123.55 1wln n ASP 79 Ca 0.70 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 1wln n ASP 79 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wln s ALA 80 N 0.00 3.03 -0.07 2.24 0.00 -1.09 -4.94 121.76 120.93 1wln s ALA 80 Ca 0.00 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 1wln s ALA 80 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1wln s ALA 80 CO 0.00 -2.35 0.72 -1.21 0.00 0.00 0.00 175.76 172.92 1wln s GLU 81 N 5.48 4.44 -0.26 0.00 0.41 -1.26 -4.83 118.70 122.68 1wln s GLU 81 Ca 0.87 0.91 -0.00 0.00 -0.41 0.00 0.00 54.97 56.35 1wln s GLU 81 Cb -0.31 -3.45 0.08 0.00 -1.78 0.00 0.00 34.13 28.66 1wln s GLU 81 CO 0.35 0.04 0.02 0.99 -0.49 0.00 0.00 175.26 176.16 1wln s THR 82 N 0.88 1.20 -0.29 3.63 2.01 -1.26 -2.77 115.64 119.05 1wln s THR 82 Ca 0.38 -1.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1wln s THR 82 Cb -0.18 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1wln s THR 82 CO 0.18 -0.34 0.07 -0.31 -0.69 0.00 0.00 174.62 173.53 1wln s TYR 83 N 1.51 3.13 -0.82 4.92 2.02 -1.09 -1.55 117.35 125.47 1wln s TYR 83 Ca 0.01 -0.93 -0.16 0.00 -0.37 0.00 0.00 57.07 55.62 1wln s TYR 83 Cb -0.18 -2.25 0.17 0.00 -0.40 0.00 0.00 41.96 39.31 1wln s TYR 83 CO -0.12 -0.56 0.86 0.08 -1.57 0.00 0.00 175.55 174.24 1wln s VAL 84 N 1.51 5.23 -0.06 0.71 1.01 0.18 -1.57 120.40 127.41 1wln s VAL 84 Ca 0.03 -1.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.02 1wln s VAL 84 Cb -0.17 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1wln s VAL 84 CO 0.02 -1.18 0.02 -0.67 0.00 0.00 0.00 175.10 173.29 1wln n ASP 85 N 5.09 -1.58 0.00 3.32 2.03 -1.14 -3.45 116.55 120.82 1wln n ASP 85 Ca 0.13 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1wln n ASP 85 Cb 0.47 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 86 N -0.83 0.41 2.78 0.27 0.00 -1.26 -5.01 105.19 101.57 1wln n GLY 86 Ca -0.01 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1wln n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wln s GLN 87 N -3.18 0.84 0.29 1.61 -0.21 -1.22 -5.05 119.66 112.73 1wln s GLN 87 Ca 0.00 -0.34 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 1wln s GLN 87 Cb 0.00 -1.84 -0.10 0.00 1.00 0.00 0.00 33.01 32.07 1wln s GLN 87 CO 0.00 -0.52 1.19 0.50 -2.12 0.00 0.00 175.29 174.34 1wln s ARG 88 N 1.82 4.52 0.09 2.91 3.52 -1.26 0.51 118.95 131.07 1wln s ARG 88 Ca 0.01 1.96 0.05 0.00 -0.13 0.00 0.00 55.73 57.62 1wln s ARG 88 Cb -0.16 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1wln s ARG 88 CO -0.07 0.03 0.02 0.96 -0.81 0.00 0.00 175.30 175.43 1wln s ILE 89 N -1.04 4.11 -0.16 4.11 -4.36 -0.60 -4.92 121.20 118.34 1wln s ILE 89 Ca 0.47 -0.97 0.06 0.00 -0.26 0.00 0.00 60.65 59.95 1wln s ILE 89 Cb -0.35 -2.97 -0.07 0.00 1.25 0.00 0.00 42.46 40.31 1wln s ILE 89 CO 0.45 0.11 0.20 -0.24 0.24 0.00 0.00 174.94 175.69 1wln n SER 90 N 0.49 1.64 -2.12 4.36 2.88 -1.26 -4.77 113.62 114.84 1wln n SER 90 Ca -0.10 -0.38 -0.09 0.00 -1.33 0.00 0.00 58.87 56.97 1wln n SER 90 Cb 0.52 1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 65.06 1wln n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wln n GLU 91 N -1.36 0.27 -1.57 -1.46 -0.58 -1.26 -4.91 120.64 109.77 1wln n GLU 91 Ca 0.00 -1.64 -0.40 0.00 -0.42 0.00 0.00 57.16 54.70 1wln n GLU 91 Cb 0.11 1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 32.37 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wln n THR 92 N -0.32 0.15 -4.13 2.62 -1.04 -1.26 -4.60 114.28 105.70 1wln n THR 92 Ca 0.03 -0.59 -0.35 0.00 -2.04 0.00 0.00 64.05 61.10 1wln n THR 92 Cb 0.31 -2.59 -0.09 0.00 -1.82 0.00 0.00 70.33 66.14 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 9.98 4.68 0.70 12.58 2.01 0.47 -4.87 115.64 141.20 1wln s THR 93 Ca 1.01 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.78 1wln s THR 93 Cb -0.31 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1wln s THR 93 CO 0.32 0.53 1.15 -0.32 -0.69 0.00 0.00 174.62 175.61 1wln s MET 94 N -0.19 2.43 -0.03 4.92 1.75 -1.26 0.16 119.30 127.08 1wln s MET 94 Ca 0.07 1.52 0.07 0.00 -1.25 0.00 0.00 55.69 56.10 1wln s MET 94 Cb -0.12 -1.89 -0.02 0.00 2.84 0.00 0.00 34.83 35.63 1wln s MET 94 CO 0.02 -1.56 -0.23 -0.51 -0.65 0.00 0.00 175.02 172.08 1wln s LEU 95 N -5.12 2.21 0.01 4.11 1.43 0.18 -4.72 118.68 116.78 1wln s LEU 95 Ca 0.69 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1wln s LEU 95 Cb -0.24 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1wln s LEU 95 CO 0.44 0.33 -0.08 -1.10 0.23 0.00 0.00 176.35 176.17 1wln s GLN 96 N -0.64 0.64 0.07 1.70 -0.21 -1.26 -4.64 119.66 115.32 1wln s GLN 96 Ca 0.10 -0.41 -0.36 0.00 0.02 0.00 0.00 55.36 54.71 1wln s GLN 96 Cb -0.10 -0.60 -0.18 0.00 1.00 0.00 0.00 33.01 33.13 1wln s GLN 96 CO -0.01 0.16 1.03 -1.13 -2.12 0.00 0.00 175.29 173.22 1wln n SER 97 N 2.54 0.23 0.00 5.90 3.41 -1.25 -0.63 113.62 123.82 1wln n SER 97 Ca -0.15 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1wln n SER 97 Cb 0.57 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1wln n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 98 N 1.81 2.88 3.16 5.00 0.00 0.53 -4.95 105.19 113.61 1wln n GLY 98 Ca 0.19 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 45.01 1wln n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wln n MET 99 N 0.00 0.00 -3.07 1.61 2.00 0.20 -4.29 117.12 113.57 1wln n MET 99 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 1wln n MET 99 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 1wln n MET 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1wln s ARG 100 N -0.82 3.68 -0.24 0.03 0.52 -1.26 -0.10 118.95 120.76 1wln s ARG 100 Ca 0.62 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 56.03 1wln s ARG 100 Cb -0.90 -2.51 0.07 0.00 0.52 0.00 0.00 34.95 32.13 1wln s ARG 100 CO 0.52 0.07 0.03 -0.51 0.02 0.00 0.00 175.30 175.43 1wln s LEU 101 N -3.82 1.88 -0.25 2.53 1.02 0.54 -2.86 118.68 117.72 1wln s LEU 101 Ca 0.47 -1.17 -0.10 0.00 0.02 0.00 0.00 54.13 53.35 1wln s LEU 101 Cb -0.10 -0.83 -0.05 0.00 0.02 0.00 0.00 46.19 45.23 1wln s LEU 101 CO 0.32 -0.32 0.16 -1.58 0.02 0.00 0.00 176.35 174.95 1wln s GLN 102 N 1.66 4.03 -0.70 1.70 0.74 -0.61 -0.47 119.66 126.01 1wln s GLN 102 Ca 0.01 -0.29 0.05 0.00 0.05 0.00 0.00 55.36 55.18 1wln s GLN 102 Cb -0.18 -3.54 0.19 0.00 1.10 0.00 0.00 33.01 30.58 1wln s GLN 102 CO -0.13 0.01 0.55 1.19 -0.55 0.00 0.00 175.29 176.36 1wln n PHE 103 N 4.44 3.34 -0.23 1.67 3.72 -0.72 -2.67 117.46 127.02 1wln n PHE 103 Ca -0.15 -4.29 0.00 0.00 -0.05 0.00 0.00 57.45 52.97 1wln n PHE 103 Cb 0.52 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1wln n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wln n GLY 104 N 1.73 1.35 3.41 1.37 0.00 -1.11 -4.08 105.19 107.86 1wln n GLY 104 Ca 0.22 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1wln n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 105 N -0.68 0.00 0.08 2.61 -2.24 -1.26 -4.54 114.28 108.25 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wln n THR 105 Cb 0.05 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1wln n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wln n SER 106 N -1.66 0.18 -4.45 3.42 3.41 -1.26 -5.02 113.62 108.23 1wln n SER 106 Ca 0.07 0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.51 1wln n SER 106 Cb 0.38 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wln s HIS 107 N -2.00 3.19 -0.24 7.33 4.02 -1.26 -4.99 115.29 121.34 1wln s HIS 107 Ca 0.00 -0.58 -0.07 0.00 1.02 0.00 0.00 55.06 55.42 1wln s HIS 107 Cb 0.00 -2.99 -0.03 0.00 -1.02 0.00 0.00 32.58 28.54 1wln s HIS 107 CO 0.00 -0.75 0.06 0.08 1.02 0.00 0.00 174.74 175.15 1wln s VAL 108 N 1.99 4.34 0.32 -0.90 1.01 -1.26 -1.76 120.40 124.15 1wln s VAL 108 Ca 0.09 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1wln s VAL 108 Cb -0.20 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1wln s VAL 108 CO 0.11 0.36 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 1wln s PHE 109 N 1.40 2.27 -0.18 5.22 0.08 0.38 0.17 117.98 127.32 1wln s PHE 109 Ca 0.05 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1wln s PHE 109 Cb -0.15 -1.29 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1wln s PHE 109 CO 0.03 0.50 -0.20 0.21 -0.10 0.00 0.00 175.22 175.67 1wln s LYS 110 N -3.64 3.01 0.11 0.44 2.20 0.50 0.20 119.74 122.56 1wln s LYS 110 Ca 0.32 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1wln s LYS 110 Cb 0.03 -2.57 -0.06 0.00 -1.51 0.00 0.00 37.83 33.71 1wln s LYS 110 CO 0.15 -0.18 1.02 0.12 -0.36 0.00 0.00 175.35 176.10 1wln s PHE 111 N 1.24 3.70 0.03 4.03 2.19 0.86 0.02 117.98 130.05 1wln s PHE 111 Ca 0.04 1.69 0.02 0.00 0.33 0.00 0.00 56.93 59.01 1wln s PHE 111 Cb -0.13 -3.15 -0.02 0.00 -1.31 0.00 0.00 43.02 38.40 1wln s PHE 111 CO -0.11 -0.17 -0.08 0.08 1.83 0.00 0.00 175.22 176.77 1wln s VAL 112 N 0.14 0.58 -0.48 3.12 1.01 -0.48 0.20 120.40 124.49 1wln s VAL 112 Ca 0.49 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1wln s VAL 112 Cb -0.25 -0.60 0.13 0.00 0.00 0.00 0.00 36.38 35.66 1wln s VAL 112 CO 0.31 -0.22 0.28 -0.62 0.00 0.00 0.00 175.10 174.85 1wln s ASP 113 N -1.19 5.18 0.00 3.32 2.15 -1.26 -2.61 116.67 122.25 1wln s ASP 113 Ca -0.06 -2.36 0.22 0.00 0.43 0.00 0.00 52.55 50.78 1wln s ASP 113 Cb -0.08 -1.82 1.08 0.00 -0.30 0.00 0.00 42.92 41.80 1wln s ASP 113 CO 0.00 -0.46 1.72 -0.81 -0.17 0.00 0.00 175.17 175.46 1wln n PRO 114 N 4.13 0.22 -0.24 4.34 -0.04 -1.26 -3.06 135.00 139.10 1wln n PRO 114 Ca 0.02 0.09 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1wln n PRO 114 Cb 0.40 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.45 1wln n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wln h SER 115 N 0.00 1.02 -0.90 3.54 0.87 -1.85 -3.43 113.55 112.80 1wln h SER 115 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1wln h SER 115 Cb 0.26 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wln h SER 115 CO 0.00 0.94 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 1wln n GLY 116 N -0.81 0.91 3.56 5.77 0.00 -1.17 -4.86 105.19 108.59 1wln n GLY 116 Ca 0.06 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1wln n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wln s PRO 117 N -5.14 3.11 0.11 1.61 0.04 -1.26 -4.94 135.00 128.52 1wln s PRO 117 Ca 0.00 -0.84 0.09 0.00 0.04 0.00 0.00 61.00 60.29 1wln s PRO 117 Cb 0.00 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 1wln s PRO 117 CO 0.00 -2.83 -0.21 -1.54 0.04 0.00 0.00 177.00 172.46 1wln s SER 118 N 6.31 3.67 -0.00 6.66 1.04 -1.26 -5.13 113.70 124.98 1wln s SER 118 Ca 0.58 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 1wln s SER 118 Cb -0.03 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 1wln s SER 118 CO -0.03 0.19 0.10 -0.44 0.98 0.00 0.00 173.24 174.04 1wln s SER 119 N -2.00 5.78 0.00 7.02 0.01 -1.26 -5.22 113.70 118.04 1wln s SER 119 Ca 0.16 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1wln s SER 119 Cb -0.10 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1wln s SER 119 CO 0.08 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.61