#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln n SER 2 N 0.00 1.06 -3.15 1.61 7.64 -1.26 -5.06 113.62 114.46 1wln n SER 2 Ca 0.00 0.14 0.05 0.00 1.01 0.00 0.00 58.87 60.07 1wln n SER 2 Cb 0.00 -0.34 -0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1wln n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wln s SER 3 N -5.88 -0.94 0.00 6.43 0.01 -1.26 -5.14 113.70 106.93 1wln s SER 3 Ca -0.04 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1wln s SER 3 Cb 0.01 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.85 1wln s SER 3 CO 0.06 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1wln n GLY 4 N 5.27 3.93 3.61 3.44 0.00 -1.26 -5.18 105.19 114.99 1wln n GLY 4 Ca 0.06 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.80 1wln n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 5 N 0.00 -0.06 -0.33 1.61 0.01 -1.26 -4.97 113.70 108.70 1wln s SER 5 Ca 0.00 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 1wln s SER 5 Cb 0.00 0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.47 1wln s SER 5 CO 0.00 -0.25 0.12 -0.55 0.41 0.00 0.00 173.24 172.96 1wln s SER 6 N -2.91 3.98 -0.87 2.44 0.15 -1.26 -4.89 113.70 110.35 1wln s SER 6 Ca 0.14 -1.80 -0.04 0.00 0.70 0.00 0.00 55.95 54.94 1wln s SER 6 Cb 0.05 -0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 63.44 1wln s SER 6 CO -0.04 -0.39 0.74 0.61 1.20 0.00 0.00 173.24 175.36 1wln n GLY 7 N 4.64 -1.20 0.23 9.45 0.00 -1.26 -4.89 105.19 112.15 1wln n GLY 7 Ca -0.00 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.29 0.00 -0.05 1.61 0.13 -2.00 -2.65 132.00 128.74 1wln h PRO 8 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wln h PRO 8 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wln h PRO 8 CO 0.36 0.11 0.00 -0.85 -0.23 0.00 0.00 178.00 177.40 1wln n GLU 9 N -3.18 1.27 -3.09 0.86 0.28 -1.26 -3.85 120.64 111.67 1wln n GLU 9 Ca 0.02 -0.40 -0.16 0.00 -0.16 0.00 0.00 57.16 56.45 1wln n GLU 9 Cb 0.46 -1.37 -0.01 0.00 1.43 0.00 0.00 31.44 31.95 1wln n GLU 9 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wln n LYS 10 N -0.41 0.99 -4.01 3.44 2.85 -1.00 -4.99 118.16 115.03 1wln n LYS 10 Ca 0.16 -3.19 -0.26 0.00 -1.05 0.00 0.00 58.31 53.97 1wln n LYS 10 Cb 0.17 -1.58 -0.04 0.00 -0.65 0.00 0.00 35.03 32.93 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wln s LEU 11 N -2.47 4.09 0.26 -5.58 1.43 -1.25 -3.31 118.68 111.85 1wln s LEU 11 Ca 0.37 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 1wln s LEU 11 Cb 0.35 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1wln s LEU 11 CO -0.07 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 1wln s PRO 12 N -3.17 4.65 0.24 1.29 0.04 -1.26 -4.18 135.00 132.61 1wln s PRO 12 Ca 0.33 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1wln s PRO 12 Cb -0.11 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1wln s PRO 12 CO 0.26 0.22 0.11 1.52 0.04 0.00 0.00 177.00 179.14 1wln s TYR 13 N -1.00 1.43 -0.28 0.56 -0.85 -0.81 0.11 117.35 116.51 1wln s TYR 13 Ca 0.45 -1.24 0.01 0.00 -0.52 0.00 0.00 57.07 55.77 1wln s TYR 13 Cb -0.31 -0.80 0.06 0.00 0.38 0.00 0.00 41.96 41.29 1wln s TYR 13 CO 0.39 -0.43 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.42 1wln s LEU 14 N -3.27 3.66 -0.58 -3.49 1.43 -0.97 -1.25 118.68 114.21 1wln s LEU 14 Ca 0.38 -1.37 -0.20 0.00 -1.03 0.00 0.00 54.13 51.91 1wln s LEU 14 Cb 0.08 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1wln s LEU 14 CO 0.13 -0.22 0.76 0.54 0.23 0.00 0.00 176.35 177.79 1wln s VAL 15 N 1.16 4.70 0.15 -1.59 0.11 0.97 -2.91 120.40 122.99 1wln s VAL 15 Ca -0.07 -0.64 -0.32 0.00 -2.93 0.00 0.00 61.98 58.02 1wln s VAL 15 Cb -0.20 -4.49 -0.17 0.00 -1.53 0.00 0.00 36.38 29.99 1wln s VAL 15 CO -0.04 -1.11 0.85 1.21 -3.33 0.00 0.00 175.10 172.68 1wln n GLU 16 N 6.67 0.39 -4.42 1.54 2.13 -0.80 -1.64 120.64 124.50 1wln n GLU 16 Ca -0.07 0.14 -0.25 0.00 0.66 0.00 0.00 57.16 57.64 1wln n GLU 16 Cb 0.44 -1.41 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 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 1.47 2.89 1.19 4.31 1.43 0.25 -4.63 118.68 125.60 1wln s LEU 17 Ca 0.72 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1wln s LEU 17 Cb -0.98 -1.20 0.29 0.00 0.03 0.00 0.00 46.19 44.33 1wln s LEU 17 CO 0.56 -0.25 1.02 -0.55 0.23 0.00 0.00 176.35 177.36 1wln s SER 18 N -3.69 0.82 0.00 2.29 0.15 0.15 -4.36 113.70 109.06 1wln s SER 18 Ca 0.34 1.25 0.24 0.00 0.70 0.00 0.00 55.95 58.47 1wln s SER 18 Cb 0.02 -1.91 1.40 0.00 -1.71 0.00 0.00 66.02 63.81 1wln s SER 18 CO 0.18 -4.26 1.78 -0.81 1.20 0.00 0.00 173.24 171.33 1wln n PRO 19 N -4.93 0.75 0.00 5.44 -0.04 -1.26 -2.00 135.00 132.96 1wln n PRO 19 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1wln n PRO 19 Cb 0.56 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1wln n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wln n ASP 20 N -0.99 0.93 -0.67 3.54 9.92 -1.26 -5.00 116.55 123.03 1wln n ASP 20 Ca 0.18 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1wln n ASP 20 Cb 0.08 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 21 N -0.10 0.64 3.47 0.44 0.00 -0.85 -5.09 105.19 103.71 1wln n GLY 21 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1wln n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 22 N -2.70 3.26 0.39 1.61 0.01 -1.26 -4.81 113.70 110.19 1wln s SER 22 Ca 0.00 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.15 1wln s SER 22 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1wln s SER 22 CO 0.00 -0.21 0.15 -0.90 0.41 0.00 0.00 173.24 172.69 1wln n ASP 23 N -0.65 1.12 -0.39 2.44 5.68 -1.26 0.33 116.55 123.82 1wln n ASP 23 Ca -0.05 -3.07 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 1wln n ASP 23 Cb 0.63 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.62 1wln n ASP 23 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1wln n SER 24 N -1.56 -2.67 -0.74 -1.12 2.88 -1.26 -4.88 113.62 104.27 1wln n SER 24 Ca -0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 1wln n SER 24 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.78 -1.41 -3.62 -1.46 5.12 -1.26 -4.79 116.66 108.47 1wln n ARG 25 Ca 0.00 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1wln n ARG 25 Cb 0.00 -5.04 0.00 0.00 -1.16 0.00 0.00 32.46 26.26 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 -0.82 0.00 -4.35 0.55 2.03 -1.26 -5.10 116.55 107.60 1wln n ASP 26 Ca -0.10 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 1wln n ASP 26 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 1wln n ASP 26 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1wln s LYS 27 N -1.64 2.81 0.09 -0.67 2.20 -1.26 -5.06 119.74 116.21 1wln s LYS 27 Ca 0.00 -1.28 -0.30 0.00 -0.36 0.00 0.00 55.97 54.03 1wln s LYS 27 Cb 0.00 -3.89 -0.06 0.00 -1.51 0.00 0.00 37.83 32.37 1wln s LYS 27 CO 0.00 -0.88 1.16 -1.25 -0.36 0.00 0.00 175.35 174.01 1wln s PRO 28 N 1.55 4.48 0.62 4.03 0.04 -1.26 -5.01 135.00 139.45 1wln s PRO 28 Ca 0.03 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1wln s PRO 28 Cb -0.22 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1wln s PRO 28 CO 0.06 -0.16 1.16 0.15 0.04 0.00 0.00 177.00 178.24 1wln s LYS 29 N 0.69 2.90 0.04 4.56 1.02 -1.26 -4.82 119.74 122.87 1wln s LYS 29 Ca 0.56 1.62 0.05 0.00 0.02 0.00 0.00 55.97 58.21 1wln s LYS 29 Cb -0.29 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1wln s LYS 29 CO 0.31 -1.21 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.22 1wln s LEU 30 N -4.40 2.18 -0.32 3.17 2.96 -1.26 -1.91 118.68 119.10 1wln s LEU 30 Ca 0.72 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1wln s LEU 30 Cb -0.25 -0.54 0.11 0.00 0.50 0.00 0.00 46.19 46.01 1wln s LEU 30 CO 0.36 0.00 0.15 -0.31 -1.32 0.00 0.00 176.35 175.23 1wln s TYR 31 N -0.90 0.95 -0.17 5.38 2.02 -1.14 -4.94 117.35 118.55 1wln s TYR 31 Ca 0.00 -1.43 -0.29 0.00 -0.37 0.00 0.00 57.07 54.98 1wln s TYR 31 Cb -0.08 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1wln s TYR 31 CO 0.01 -0.84 1.60 1.03 -1.57 0.00 0.00 175.55 175.79 1wln s ARG 32 N 1.56 3.93 -0.96 -0.62 0.52 -1.26 -2.30 118.95 119.82 1wln s ARG 32 Ca 0.12 1.81 -0.23 0.00 -0.52 0.00 0.00 55.73 56.91 1wln s ARG 32 Cb -0.19 -4.00 0.06 0.00 0.52 0.00 0.00 34.95 31.34 1wln s ARG 32 CO -0.22 -1.13 1.36 -0.51 0.02 0.00 0.00 175.30 174.82 1wln s LEU 33 N 4.78 3.76 0.62 2.53 1.43 0.30 -4.96 118.68 127.13 1wln s LEU 33 Ca 0.71 -1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 1wln s LEU 33 Cb -0.27 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1wln s LEU 33 CO 0.28 -1.47 1.09 -1.10 0.23 0.00 0.00 176.35 175.38 1wln s GLN 34 N 4.65 3.09 0.88 1.70 -0.21 -1.26 -4.32 119.66 124.18 1wln s GLN 34 Ca 0.42 1.34 -0.17 0.00 0.02 0.00 0.00 55.36 56.97 1wln s GLN 34 Cb -0.02 -1.99 -0.15 0.00 1.00 0.00 0.00 33.01 31.85 1wln s GLN 34 CO -0.06 -1.01 -0.65 1.28 -2.12 0.00 0.00 175.29 172.73 1wln n LEU 35 N -2.10 -5.45 0.00 2.90 4.77 -1.26 -4.73 117.00 111.14 1wln n LEU 35 Ca 0.10 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1wln n LEU 35 Cb 0.52 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wln n LEU 35 CO 0.47 -5.70 0.00 -1.20 -1.33 0.00 0.00 177.39 169.62 1wln n SER 36 N 3.24 0.00 -4.73 -1.43 7.64 -1.26 -4.89 113.62 112.18 1wln n SER 36 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1wln n SER 36 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln s VAL 37 N -2.38 3.55 -0.30 0.44 0.11 -1.26 -3.99 120.40 116.57 1wln s VAL 37 Ca 0.00 1.23 0.03 0.00 -2.93 0.00 0.00 61.98 60.31 1wln s VAL 37 Cb 0.00 -3.79 0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1wln s VAL 37 CO 0.00 0.16 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.02 1wln s THR 38 N 0.36 2.18 0.43 5.04 2.01 0.12 -4.88 115.64 120.90 1wln s THR 38 Ca 0.56 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.33 1wln s THR 38 Cb -0.33 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.63 1wln s THR 38 CO 0.35 -0.34 1.14 -1.61 -0.69 0.00 0.00 174.62 173.46 1wln s GLU 39 N 1.01 3.94 0.38 4.92 8.01 -1.26 0.81 118.70 136.52 1wln s GLU 39 Ca 0.02 1.74 0.07 0.00 0.01 0.00 0.00 54.97 56.82 1wln s GLU 39 Cb -0.19 -2.53 -0.07 0.00 -4.31 0.00 0.00 34.13 27.03 1wln s GLU 39 CO -0.07 -0.39 -0.02 0.08 0.01 0.00 0.00 175.26 174.87 1wln s VAL 40 N -1.52 2.00 -0.64 2.63 1.01 0.48 -1.76 120.40 122.60 1wln s VAL 40 Ca 0.60 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1wln s VAL 40 Cb -0.28 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1wln s VAL 40 CO 0.35 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1wln n GLY 41 N -0.89 0.29 0.23 4.51 0.00 -1.17 -0.70 105.19 107.47 1wln n GLY 41 Ca -0.05 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.32 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 1.14 0.95 -3.96 2.61 -2.24 -0.21 0.19 114.28 112.77 1wln n THR 42 Ca 0.00 -0.98 -0.23 0.00 -2.27 0.00 0.00 64.05 60.58 1wln n THR 42 Cb 0.00 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.97 2.40 -0.27 -0.78 0.41 -1.21 -4.89 118.70 113.39 1wln s GLU 43 Ca 0.08 -1.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.06 1wln s GLU 43 Cb 0.04 -2.19 0.07 0.00 -1.78 0.00 0.00 34.13 30.27 1wln s GLU 43 CO 0.06 -0.02 -0.08 0.21 -0.49 0.00 0.00 175.26 174.94 1wln s LYS 44 N -3.94 2.00 -0.11 1.61 2.36 -1.26 -4.70 119.74 115.70 1wln s LYS 44 Ca 0.41 -1.35 -0.11 0.00 -2.55 0.00 0.00 55.97 52.38 1wln s LYS 44 Cb -0.01 -2.86 -0.04 0.00 -1.05 0.00 0.00 37.83 33.87 1wln s LYS 44 CO 0.24 -0.63 -0.21 1.19 1.55 0.00 0.00 175.35 177.49 1wln n PHE 45 N 4.46 0.00 -1.29 4.03 3.01 -1.26 -5.04 117.46 121.37 1wln n PHE 45 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1wln n PHE 45 Cb 0.42 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1wln n PHE 45 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wln n ASP 46 N -3.70 0.00 0.06 4.37 -0.08 -1.26 -5.02 116.55 110.92 1wln n ASP 46 Ca -0.09 -0.78 -0.21 0.00 -1.51 0.00 0.00 54.79 52.20 1wln n ASP 46 Cb 0.32 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.63 1wln n ASP 46 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1wln h ASP 47 N 0.00 0.52 -2.24 1.67 3.32 -1.96 -3.37 116.42 114.36 1wln h ASP 47 Ca 0.00 -0.82 -0.64 0.00 0.02 0.00 0.00 57.03 55.59 1wln h ASP 47 Cb 0.00 -0.17 -0.39 0.00 0.22 0.00 0.00 39.33 38.99 1wln h ASP 47 CO 0.00 1.70 -0.26 0.59 -1.72 0.00 0.00 179.24 179.55 1wln n ASN 48 N -3.53 5.16 -4.94 6.45 3.02 -1.26 -5.05 115.26 115.12 1wln n ASN 48 Ca -0.24 -3.69 -0.24 0.00 -0.03 0.00 0.00 54.58 50.38 1wln n ASN 48 Cb 1.06 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wln s SER 49 N -2.99 5.51 -0.22 6.41 1.04 -1.26 -4.88 113.70 117.31 1wln s SER 49 Ca 0.47 0.40 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1wln s SER 49 Cb 0.27 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 1wln s SER 49 CO -0.14 -1.03 0.40 -0.63 0.98 0.00 0.00 173.24 172.82 1wln s ILE 50 N -2.83 5.19 -0.37 -1.02 1.01 -0.72 -5.03 121.20 117.42 1wln s ILE 50 Ca 0.53 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.84 1wln s ILE 50 Cb -0.10 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.72 1wln s ILE 50 CO 0.41 0.23 0.13 -1.58 0.00 0.00 0.00 174.94 174.13 1wln s GLN 51 N 1.49 2.25 0.30 2.79 0.74 -1.26 -3.03 119.66 122.94 1wln s GLN 51 Ca 0.18 -1.54 0.08 0.00 0.05 0.00 0.00 55.36 54.13 1wln s GLN 51 Cb -0.15 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 1wln s GLN 51 CO 0.08 -0.87 0.20 -0.51 -0.55 0.00 0.00 175.29 173.64 1wln s LEU 52 N 1.22 3.58 -0.17 3.68 1.43 0.50 -4.98 118.68 123.94 1wln s LEU 52 Ca 0.02 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1wln s LEU 52 Cb -0.21 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 43.96 1wln s LEU 52 CO -0.02 -0.20 0.24 -0.36 0.23 0.00 0.00 176.35 176.25 1wln s PHE 53 N -2.27 -0.36 0.10 0.29 0.08 -1.26 -3.91 117.98 110.65 1wln s PHE 53 Ca 0.37 0.58 -0.25 0.00 0.12 0.00 0.00 56.93 57.74 1wln s PHE 53 Cb -0.06 -0.21 0.08 0.00 -0.57 0.00 0.00 43.02 42.26 1wln s PHE 53 CO 0.25 -0.49 0.73 0.20 -0.10 0.00 0.00 175.22 175.81 1wln s GLY 54 N 2.37 -0.52 -0.60 4.36 0.00 -1.26 -5.05 107.32 106.62 1wln s GLY 54 Ca 0.05 0.65 -0.27 0.00 0.00 0.00 0.00 44.72 45.14 1wln s GLY 54 CO -0.10 0.21 1.52 2.56 0.00 0.00 0.00 173.10 177.29 1wln s PRO 55 N -3.50 3.11 0.00 2.90 0.04 -1.26 -2.36 135.00 133.93 1wln s PRO 55 Ca 0.03 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1wln s PRO 55 Cb -0.01 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1wln s PRO 55 CO -0.10 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1wln n GLY 56 N 5.41 1.59 3.92 0.56 0.00 -1.26 -4.96 105.19 110.45 1wln n GLY 56 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 5.26 0.52 -0.61 -1.09 -0.99 -4.72 121.20 117.56 1wln s ILE 57 Ca 0.00 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1wln s ILE 57 Cb 0.00 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1wln s ILE 57 CO 0.00 -0.05 0.16 -1.10 -1.23 0.00 0.00 174.94 172.72 1wln s GLN 58 N -3.00 2.22 -0.06 2.79 -1.52 -1.26 -4.95 119.66 113.87 1wln s GLN 58 Ca 0.37 -2.22 -0.13 0.00 -1.95 0.00 0.00 55.36 51.43 1wln s GLN 58 Cb -0.12 -1.77 -0.09 0.00 -0.22 0.00 0.00 33.01 30.81 1wln s GLN 58 CO 0.28 -0.44 0.53 -1.00 -0.25 0.00 0.00 175.29 174.41 1wln h PRO 59 N 1.14 -0.26 -3.33 2.91 0.13 -1.91 -0.54 132.00 130.13 1wln h PRO 59 Ca -0.41 0.02 -0.78 0.00 -0.87 0.00 0.00 66.00 63.95 1wln h PRO 59 Cb 1.31 0.06 -0.29 0.00 0.13 0.00 0.00 31.00 32.20 1wln h PRO 59 CO 0.68 -0.01 0.44 1.58 -0.23 0.00 0.00 178.00 180.46 1wln n HIS 60 N -4.95 4.35 0.01 1.56 -0.00 -1.26 -3.01 115.22 111.91 1wln n HIS 60 Ca -0.05 -3.62 -0.00 0.00 0.46 0.00 0.00 57.72 54.51 1wln n HIS 60 Cb 0.18 -1.49 -0.00 0.00 -0.12 0.00 0.00 29.99 28.57 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wln h HIS 61 N 6.18 -0.02 -3.53 1.57 2.76 -1.10 -2.93 115.15 118.09 1wln h HIS 61 Ca 0.18 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1wln h HIS 61 Cb 0.79 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 1wln h HIS 61 CO 0.81 -0.01 0.03 0.00 -1.30 0.00 0.00 177.93 177.47 1wln s ASP 63 N -3.11 1.65 -0.33 0.00 1.47 0.16 0.18 116.67 116.68 1wln s ASP 63 Ca 0.22 -0.22 -0.19 0.00 1.18 0.00 0.00 52.55 53.53 1wln s ASP 63 Cb -0.03 -0.67 -0.01 0.00 -0.34 0.00 0.00 42.92 41.88 1wln s ASP 63 CO 0.14 -0.07 0.58 -0.76 0.68 0.00 0.00 175.17 175.74 1wln s LEU 64 N 1.25 4.23 -0.29 2.11 2.01 0.24 -2.12 118.68 126.12 1wln s LEU 64 Ca -0.05 0.20 -0.05 0.00 0.01 0.00 0.00 54.13 54.24 1wln s LEU 64 Cb -0.14 -2.71 0.02 0.00 0.01 0.00 0.00 46.19 43.37 1wln s LEU 64 CO -0.02 -0.49 0.04 -0.89 1.01 0.00 0.00 176.35 175.99 1wln s THR 65 N 2.53 3.57 -0.25 5.49 2.01 -1.20 0.13 115.64 127.91 1wln s THR 65 Ca 0.22 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 1wln s THR 65 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1wln s THR 65 CO 0.13 0.07 0.52 0.21 -0.69 0.00 0.00 174.62 174.86 1wln s ASN 66 N 1.42 6.45 -0.45 3.53 2.47 -1.25 -2.61 114.94 124.51 1wln s ASN 66 Ca 0.01 0.55 0.03 0.00 0.42 0.00 0.00 52.86 53.86 1wln s ASN 66 Cb -0.17 -2.28 0.12 0.00 -1.45 0.00 0.00 41.25 37.46 1wln s ASN 66 CO 0.00 -0.28 0.19 -0.04 -3.72 0.00 0.00 177.10 173.25 1wln s MET 67 N 2.23 1.83 0.00 0.43 -1.94 0.52 -4.35 119.30 118.03 1wln s MET 67 Ca 0.22 -2.23 0.00 0.00 -1.71 0.00 0.00 55.69 51.96 1wln s MET 67 Cb -0.16 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.34 1wln s MET 67 CO 0.09 -1.04 0.00 -3.47 -0.01 0.00 0.00 175.02 170.59 1wln n ASP 68 N 3.75 -3.62 0.00 3.03 2.03 -1.26 -1.75 116.55 118.74 1wln n ASP 68 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1wln n ASP 68 Cb 0.38 -2.04 0.00 0.00 -0.72 0.00 0.00 41.12 38.74 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 69 N -1.01 0.97 3.72 0.27 0.00 -1.26 -5.10 105.19 102.79 1wln n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wln n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wln s VAL 70 N -0.67 3.76 -0.03 1.61 0.11 -0.72 -4.80 120.40 119.67 1wln s VAL 70 Ca 0.00 1.33 0.06 0.00 -2.93 0.00 0.00 61.98 60.45 1wln s VAL 70 Cb 0.00 -3.85 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 1wln s VAL 70 CO 0.00 0.14 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.02 1wln s VAL 71 N 0.66 2.52 -0.07 2.04 1.01 -1.26 0.19 120.40 125.50 1wln s VAL 71 Ca 0.57 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1wln s VAL 71 Cb -0.32 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1wln s VAL 71 CO 0.32 0.56 -0.01 0.42 0.00 0.00 0.00 175.10 176.39 1wln s THR 72 N -0.69 0.48 -0.08 3.92 -4.23 -1.07 0.11 115.64 114.08 1wln s THR 72 Ca 0.11 0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1wln s THR 72 Cb -0.10 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1wln s THR 72 CO 0.00 0.27 1.26 0.54 -0.54 0.00 0.00 174.62 176.15 1wln s VAL 73 N 1.81 4.17 -0.28 2.29 0.11 0.20 -3.26 120.40 125.44 1wln s VAL 73 Ca 0.03 1.48 0.02 0.00 -2.93 0.00 0.00 61.98 60.59 1wln s VAL 73 Cb -0.13 -3.95 0.08 0.00 -1.53 0.00 0.00 36.38 30.85 1wln s VAL 73 CO -0.05 -0.04 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.77 1wln s THR 74 N 2.68 1.88 0.05 5.04 2.01 -0.90 -0.71 115.64 125.69 1wln s THR 74 Ca 0.57 -1.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.55 1wln s THR 74 Cb -0.25 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1wln s THR 74 CO 0.20 -0.30 1.17 -2.16 -0.69 0.00 0.00 174.62 172.84 1wln s PRO 75 N 1.18 4.45 -0.15 4.92 0.04 -1.26 0.38 135.00 144.55 1wln s PRO 75 Ca 0.00 1.72 0.15 0.00 0.04 0.00 0.00 61.00 62.91 1wln s PRO 75 Cb -0.19 -3.37 0.41 0.00 0.04 0.00 0.00 34.50 31.39 1wln s PRO 75 CO -0.08 -0.24 1.20 0.54 0.04 0.00 0.00 177.00 178.46 1wln n ARG 76 N 3.97 1.13 -4.29 4.56 5.12 -0.48 -4.94 116.66 121.74 1wln n ARG 76 Ca 0.09 -2.91 -0.20 0.00 -1.93 0.00 0.00 57.85 52.90 1wln n ARG 76 Cb 0.47 -1.17 -0.16 0.00 -1.16 0.00 0.00 32.46 30.44 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 -2.87 1.09 -1.47 0.55 0.01 -1.10 -4.83 113.70 105.08 1wln s SER 77 Ca 0.36 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 1wln s SER 77 Cb 0.37 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1wln s SER 77 CO -0.09 -0.00 2.59 0.80 0.41 0.00 0.00 173.24 176.95 1wln n MET 78 N 3.73 3.97 0.00 12.44 1.56 -1.26 -3.30 117.12 134.26 1wln n MET 78 Ca -0.22 -2.83 0.00 0.00 -0.27 0.00 0.00 57.70 54.37 1wln n MET 78 Cb 0.52 -2.79 0.00 0.00 2.15 0.00 0.00 33.22 33.11 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 3.10 0.00 -4.64 6.12 8.00 -1.26 -5.11 116.55 122.77 1wln n ASP 79 Ca 0.67 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.75 1wln n ASP 79 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 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 3.25 -0.13 2.24 0.00 -1.21 -4.94 121.76 120.96 1wln s ALA 80 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 1wln s ALA 80 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1wln s ALA 80 CO 0.00 -2.04 0.58 -1.21 0.00 0.00 0.00 175.76 173.09 1wln s GLU 81 N 5.12 4.32 -0.30 0.00 0.41 -1.26 -4.86 118.70 122.13 1wln s GLU 81 Ca 0.89 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.06 1wln s GLU 81 Cb -0.36 -3.48 0.09 0.00 -1.78 0.00 0.00 34.13 28.59 1wln s GLU 81 CO 0.37 0.01 0.06 0.99 -0.49 0.00 0.00 175.26 176.19 1wln s THR 82 N 1.07 1.30 -0.33 3.63 2.01 -1.26 -2.50 115.64 119.56 1wln s THR 82 Ca 0.30 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.68 1wln s THR 82 Cb -0.16 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1wln s THR 82 CO 0.12 -0.53 0.13 -0.31 -0.69 0.00 0.00 174.62 173.34 1wln s TYR 83 N 1.42 3.20 -0.86 4.92 2.02 -1.09 -1.40 117.35 125.55 1wln s TYR 83 Ca 0.07 -1.02 -0.18 0.00 -0.37 0.00 0.00 57.07 55.56 1wln s TYR 83 Cb -0.18 -2.32 0.14 0.00 -0.40 0.00 0.00 41.96 39.20 1wln s TYR 83 CO -0.17 -0.61 1.02 0.08 -1.57 0.00 0.00 175.55 174.30 1wln s VAL 84 N 1.51 4.85 0.00 0.71 1.01 0.21 -1.56 120.40 127.13 1wln s VAL 84 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1wln s VAL 84 Cb -0.18 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1wln s VAL 84 CO 0.04 -1.40 0.00 -0.67 0.00 0.00 0.00 175.10 173.08 1wln n ASP 85 N 6.20 -1.18 0.00 3.32 -0.08 -0.75 -3.54 116.55 120.52 1wln n ASP 85 Ca 0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1wln n ASP 85 Cb 0.48 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 86 N -0.78 0.42 2.92 0.27 0.00 -1.25 -4.96 105.19 101.80 1wln n GLY 86 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.66 1.55 0.65 1.61 -0.21 -1.23 -5.03 119.66 115.34 1wln s GLN 87 Ca 0.00 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 54.45 1wln s GLN 87 Cb 0.00 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1wln s GLN 87 CO 0.00 -0.52 1.17 0.50 -2.12 0.00 0.00 175.29 174.32 1wln s ARG 88 N 1.51 2.73 0.18 2.91 3.52 -1.26 0.63 118.95 129.19 1wln s ARG 88 Ca -0.03 1.64 0.11 0.00 -0.13 0.00 0.00 55.73 57.32 1wln s ARG 88 Cb -0.17 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1wln s ARG 88 CO -0.07 -1.35 -0.23 0.96 -0.81 0.00 0.00 175.30 173.80 1wln s ILE 89 N -1.96 2.44 -0.04 4.11 -4.36 -0.50 -4.85 121.20 116.04 1wln s ILE 89 Ca 0.73 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1wln s ILE 89 Cb -0.26 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.29 1wln s ILE 89 CO 0.38 -0.09 0.22 -1.20 0.24 0.00 0.00 174.94 174.50 1wln n SER 90 N 0.31 0.44 -1.78 4.36 7.64 -1.26 -4.78 113.62 118.55 1wln n SER 90 Ca -0.13 -0.72 -0.04 0.00 1.01 0.00 0.00 58.87 58.98 1wln n SER 90 Cb 0.56 0.59 0.01 0.00 -1.01 0.00 0.00 64.21 64.35 1wln n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wln n GLU 91 N -0.58 0.43 -1.54 1.43 1.02 -1.26 -4.95 120.64 115.19 1wln n GLU 91 Ca 0.00 -1.01 -0.41 0.00 -0.02 0.00 0.00 57.16 55.72 1wln n GLU 91 Cb 0.01 1.17 -0.05 0.00 -0.02 0.00 0.00 31.44 32.55 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1wln n THR 92 N -0.23 0.08 -4.28 2.62 -1.04 -1.26 -4.64 114.28 105.53 1wln n THR 92 Ca -0.03 -0.53 -0.34 0.00 -2.04 0.00 0.00 64.05 61.11 1wln n THR 92 Cb 0.25 -2.28 -0.13 0.00 -1.82 0.00 0.00 70.33 66.36 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 10.02 3.79 0.83 12.58 2.01 0.12 -4.89 115.64 140.10 1wln s THR 93 Ca 1.05 -0.38 -0.13 0.00 0.31 0.00 0.00 61.69 62.54 1wln s THR 93 Cb -0.46 -2.68 0.09 0.00 0.01 0.00 0.00 72.50 69.46 1wln s THR 93 CO 0.35 0.47 1.19 -0.32 -0.69 0.00 0.00 174.62 175.62 1wln s MET 94 N 0.67 1.54 0.07 4.92 1.75 -1.26 0.58 119.30 127.56 1wln s MET 94 Ca -0.02 1.69 0.09 0.00 -1.25 0.00 0.00 55.69 56.21 1wln s MET 94 Cb -0.14 -1.77 -0.03 0.00 2.84 0.00 0.00 34.83 35.72 1wln s MET 94 CO 0.02 -2.28 -0.25 -0.51 -0.65 0.00 0.00 175.02 171.36 1wln s LEU 95 N -5.89 2.21 0.05 4.11 1.43 0.30 -4.72 118.68 116.18 1wln s LEU 95 Ca 0.71 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1wln s LEU 95 Cb -0.27 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1wln s LEU 95 CO 0.52 0.21 -0.15 -1.10 0.23 0.00 0.00 176.35 176.06 1wln s GLN 96 N -1.44 0.94 0.08 1.70 -0.21 -1.26 -4.46 119.66 115.00 1wln s GLN 96 Ca 0.11 -0.87 -0.33 0.00 0.02 0.00 0.00 55.36 54.29 1wln s GLN 96 Cb -0.10 -0.97 -0.12 0.00 1.00 0.00 0.00 33.01 32.82 1wln s GLN 96 CO 0.03 0.23 1.77 -1.13 -2.12 0.00 0.00 175.29 174.08 1wln n SER 97 N 1.63 3.61 0.00 5.90 3.41 -1.26 -1.31 113.62 125.60 1wln n SER 97 Ca -0.19 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1wln n SER 97 Cb 0.54 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 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 4.04 2.69 3.56 5.00 0.00 0.18 -4.96 105.19 115.69 1wln n GLY 98 Ca 0.19 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 0.99 -3.18 1.61 2.00 -0.42 -4.68 117.12 113.44 1wln n MET 99 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 57.70 57.76 1wln n MET 99 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 33.22 31.26 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 -2.11 3.76 -0.19 0.03 0.52 -1.26 -1.76 118.95 117.94 1wln s ARG 100 Ca 0.67 0.30 0.01 0.00 -0.52 0.00 0.00 55.73 56.18 1wln s ARG 100 Cb -0.52 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.45 1wln s ARG 100 CO 0.54 0.15 -0.13 -1.17 0.02 0.00 0.00 175.30 174.71 1wln s LEU 101 N -3.41 2.19 -0.20 2.53 1.98 0.57 -1.82 118.68 120.53 1wln s LEU 101 Ca 0.48 -0.78 -0.05 0.00 -2.89 0.00 0.00 54.13 50.89 1wln s LEU 101 Cb -0.11 -1.29 -0.03 0.00 0.66 0.00 0.00 46.19 45.42 1wln s LEU 101 CO 0.27 -0.10 0.01 -1.58 -1.89 0.00 0.00 176.35 173.06 1wln s GLN 102 N 1.38 3.66 -0.60 1.98 0.74 -0.60 0.17 119.66 126.39 1wln s GLN 102 Ca 0.01 -0.50 0.05 0.00 0.05 0.00 0.00 55.36 54.97 1wln s GLN 102 Cb -0.15 -3.10 0.17 0.00 1.10 0.00 0.00 33.01 31.04 1wln s GLN 102 CO -0.10 0.04 0.44 1.19 -0.55 0.00 0.00 175.29 176.32 1wln n PHE 103 N 4.16 1.68 -0.83 1.67 3.72 -0.94 -2.69 117.46 124.23 1wln n PHE 103 Ca -0.17 -3.93 0.00 0.00 -0.05 0.00 0.00 57.45 53.30 1wln n PHE 103 Cb 0.52 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 2.27 1.32 4.43 1.37 0.00 -1.04 -3.74 105.19 109.79 1wln n GLY 104 Ca 0.24 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.18 -0.18 0.00 2.61 -2.24 -1.26 -4.58 114.28 106.45 1wln n THR 105 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1wln n THR 105 Cb 0.20 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.45 0.00 -4.24 3.42 3.41 -1.26 -5.01 113.62 107.49 1wln n SER 106 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 1wln n SER 106 Cb 0.48 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.73 3.48 -0.14 7.33 4.02 -1.25 -4.89 115.29 122.11 1wln s HIS 107 Ca 0.00 -1.94 -0.17 0.00 1.02 0.00 0.00 55.06 53.97 1wln s HIS 107 Cb 0.00 -3.59 -0.04 0.00 -1.02 0.00 0.00 32.58 27.93 1wln s HIS 107 CO 0.00 -0.97 0.43 0.08 1.02 0.00 0.00 174.74 175.30 1wln s VAL 108 N 0.86 5.21 0.39 -0.90 1.01 -1.26 -2.21 120.40 123.51 1wln s VAL 108 Ca 0.10 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1wln s VAL 108 Cb -0.22 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1wln s VAL 108 CO -0.03 0.33 0.05 -0.36 0.00 0.00 0.00 175.10 175.09 1wln s PHE 109 N 0.70 2.04 -0.10 5.22 0.40 0.44 0.85 117.98 127.53 1wln s PHE 109 Ca 0.23 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1wln s PHE 109 Cb -0.15 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1wln s PHE 109 CO 0.09 0.08 -0.02 0.21 0.70 0.00 0.00 175.22 176.28 1wln s LYS 110 N -3.81 0.88 0.05 0.44 2.36 -0.65 0.21 119.74 119.22 1wln s LYS 110 Ca 0.28 -0.09 -0.25 0.00 -2.55 0.00 0.00 55.97 53.36 1wln s LYS 110 Cb 0.06 -1.34 -0.05 0.00 -1.05 0.00 0.00 37.83 35.44 1wln s LYS 110 CO 0.14 -0.35 0.78 0.12 1.55 0.00 0.00 175.35 177.58 1wln s PHE 111 N 1.87 3.74 0.03 4.03 2.19 -0.72 -0.02 117.98 129.11 1wln s PHE 111 Ca 0.04 1.49 0.03 0.00 0.33 0.00 0.00 56.93 58.82 1wln s PHE 111 Cb -0.13 -2.83 -0.02 0.00 -1.31 0.00 0.00 43.02 38.73 1wln s PHE 111 CO -0.06 0.27 -0.09 0.08 1.83 0.00 0.00 175.22 177.25 1wln s VAL 112 N -0.06 0.65 -0.33 3.12 1.01 -0.38 0.47 120.40 124.88 1wln s VAL 112 Ca 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1wln s VAL 112 Cb -0.21 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.61 1wln s VAL 112 CO 0.23 -0.16 0.05 -0.62 0.00 0.00 0.00 175.10 174.60 1wln s ASP 113 N -1.11 4.89 0.00 3.32 2.15 -1.26 -1.92 116.67 122.73 1wln s ASP 113 Ca -0.04 -1.71 0.22 0.00 0.43 0.00 0.00 52.55 51.45 1wln s ASP 113 Cb -0.07 -1.70 0.99 0.00 -0.30 0.00 0.00 42.92 41.84 1wln s ASP 113 CO 0.00 -0.35 1.71 -0.81 -0.17 0.00 0.00 175.17 175.55 1wln n PRO 114 N 4.49 0.08 -0.06 4.34 -0.04 -1.26 -3.21 135.00 139.35 1wln n PRO 114 Ca -0.06 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1wln n PRO 114 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.28 -2.42 3.54 0.87 -1.86 -3.46 113.55 110.50 1wln h SER 115 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wln h SER 115 Cb 0.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1wln h SER 115 CO 0.00 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1wln n GLY 116 N -0.51 2.38 3.56 5.77 0.00 -1.20 -4.89 105.19 110.31 1wln n GLY 116 Ca -0.04 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.52 3.10 0.09 1.61 0.04 -1.26 -4.90 135.00 129.17 1wln s PRO 117 Ca 0.00 -0.80 -0.04 0.00 0.04 0.00 0.00 61.00 60.20 1wln s PRO 117 Cb 0.00 -5.23 -0.02 0.00 0.04 0.00 0.00 34.50 29.28 1wln s PRO 117 CO 0.00 -2.81 0.10 -1.54 0.04 0.00 0.00 177.00 172.79 1wln s SER 118 N 6.35 0.28 -0.41 6.66 1.04 -1.26 -4.99 113.70 121.37 1wln s SER 118 Ca 0.58 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.93 1wln s SER 118 Cb -0.03 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1wln s SER 118 CO -0.04 -0.71 0.52 -1.20 0.98 0.00 0.00 173.24 172.79 1wln n SER 119 N -0.03 -7.82 0.00 7.02 7.64 -1.26 -5.19 113.62 113.97 1wln n SER 119 Ca -0.11 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1wln n SER 119 Cb 0.62 -5.15 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64