#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 -0.80 0.48 1.61 0.01 -1.26 -5.12 113.70 108.62 1wln s SER 2 Ca 0.00 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1wln s SER 2 Cb 0.00 1.81 0.00 0.00 0.21 0.00 0.00 66.02 68.04 1wln s SER 2 CO 0.00 -0.15 0.00 -1.20 0.41 0.00 0.00 173.24 172.30 1wln n SER 3 N 5.24 -7.04 0.00 2.44 7.64 -1.26 -5.07 113.62 115.57 1wln n SER 3 Ca -0.08 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1wln n SER 3 Cb 0.52 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1wln n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wln n GLY 4 N -2.08 -1.66 3.95 0.23 0.00 -1.26 -5.14 105.19 99.23 1wln n GLY 4 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.35 6.13 -0.21 1.61 0.01 -1.26 -5.09 113.70 114.53 1wln s SER 5 Ca 0.00 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 1wln s SER 5 Cb 0.00 -1.84 0.06 0.00 0.21 0.00 0.00 66.02 64.45 1wln s SER 5 CO 0.00 -0.44 0.02 -0.94 0.41 0.00 0.00 173.24 172.29 1wln s SER 6 N -4.10 3.21 0.00 2.44 1.04 -1.26 -5.03 113.70 110.00 1wln s SER 6 Ca 0.43 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wln s SER 6 Cb -0.10 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1wln s SER 6 CO 0.37 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wln n GLY 7 N 4.95 2.57 0.11 7.32 0.00 -1.26 -5.00 105.19 113.87 1wln n GLY 7 Ca -0.09 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1wln n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wln n PRO 8 N 0.00 0.21 -1.38 1.61 -0.04 -1.26 -2.98 135.00 131.16 1wln n PRO 8 Ca 0.00 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.44 1wln n PRO 8 Cb 0.00 -1.81 0.09 0.00 -0.04 0.00 0.00 33.50 31.74 1wln n PRO 8 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wln n GLU 9 N -2.18 2.71 -0.69 0.54 0.28 -1.26 -4.06 120.64 115.97 1wln n GLU 9 Ca 0.04 -3.35 -0.02 0.00 -0.16 0.00 0.00 57.16 53.67 1wln n GLU 9 Cb 0.32 -2.26 -0.02 0.00 1.43 0.00 0.00 31.44 30.91 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 -0.93 0.00 -4.26 3.44 5.02 -1.16 -4.85 118.16 115.42 1wln n LYS 10 Ca 0.60 -0.44 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 1wln n LYS 10 Cb 0.83 0.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.88 1wln n LYS 10 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1wln s LEU 11 N 0.00 2.49 0.14 -0.35 0.05 -1.26 -4.23 118.68 115.53 1wln s LEU 11 Ca 0.01 -0.94 -0.30 0.00 0.05 0.00 0.00 54.13 52.95 1wln s LEU 11 Cb 0.01 -0.47 -0.07 0.00 -2.05 0.00 0.00 46.19 43.61 1wln s LEU 11 CO -0.01 -0.24 1.13 -2.16 -0.55 0.00 0.00 176.35 174.53 1wln s PRO 12 N -3.34 4.54 0.23 1.48 0.04 -1.26 -4.13 135.00 132.55 1wln s PRO 12 Ca 0.15 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1wln s PRO 12 Cb -0.01 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1wln s PRO 12 CO 0.03 -0.04 -0.03 1.52 0.04 0.00 0.00 177.00 178.52 1wln s TYR 13 N 0.17 1.60 0.03 0.56 -0.85 -0.82 0.10 117.35 118.14 1wln s TYR 13 Ca 0.52 -0.85 0.03 0.00 -0.52 0.00 0.00 57.07 56.26 1wln s TYR 13 Cb -0.29 -0.91 -0.04 0.00 0.38 0.00 0.00 41.96 41.10 1wln s TYR 13 CO 0.33 0.05 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.87 1wln s LEU 14 N -3.31 3.33 -0.23 -3.49 1.43 0.12 -1.18 118.68 115.34 1wln s LEU 14 Ca 0.27 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1wln s LEU 14 Cb 0.05 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1wln s LEU 14 CO 0.08 0.25 0.04 0.54 0.23 0.00 0.00 176.35 177.49 1wln s VAL 15 N -1.12 0.71 0.21 -1.59 0.11 -0.22 0.21 120.40 118.71 1wln s VAL 15 Ca 0.20 -0.84 -0.32 0.00 -2.93 0.00 0.00 61.98 58.10 1wln s VAL 15 Cb -0.11 -1.27 -0.15 0.00 -1.53 0.00 0.00 36.38 33.32 1wln s VAL 15 CO 0.11 -0.32 1.23 1.21 -3.33 0.00 0.00 175.10 174.01 1wln n GLU 16 N 4.96 1.50 -4.53 1.54 2.13 -0.71 0.53 120.64 126.07 1wln n GLU 16 Ca -0.08 0.53 -0.25 0.00 0.66 0.00 0.00 57.16 58.02 1wln n GLU 16 Cb 0.45 -2.08 -0.10 0.00 0.27 0.00 0.00 31.44 29.98 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 0.42 2.70 1.21 4.31 1.43 0.48 -4.56 118.68 124.67 1wln s LEU 17 Ca 0.70 -1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 1wln s LEU 17 Cb -0.76 -0.96 0.24 0.00 0.03 0.00 0.00 46.19 44.75 1wln s LEU 17 CO 0.52 -0.22 0.57 -0.24 0.23 0.00 0.00 176.35 177.21 1wln n SER 18 N -0.77 -2.72 0.00 2.29 2.88 -0.50 -4.43 113.62 110.37 1wln n SER 18 Ca -0.05 -0.36 0.11 0.00 -1.33 0.00 0.00 58.87 57.24 1wln n SER 18 Cb 0.63 -1.03 0.61 0.00 -0.75 0.00 0.00 64.21 63.67 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wln n PRO 19 N -3.85 0.44 -0.00 -1.46 -0.04 -1.26 -2.15 135.00 126.68 1wln n PRO 19 Ca 0.05 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1wln n PRO 19 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.20 1.20 -0.18 3.54 -0.08 -1.26 -5.00 116.55 113.57 1wln n ASP 20 Ca 0.13 -0.49 0.00 0.00 -1.51 0.00 0.00 54.79 52.92 1wln n ASP 20 Cb 0.15 1.14 0.00 0.00 2.34 0.00 0.00 41.12 44.76 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 21 N 1.46 1.02 3.44 0.27 0.00 -0.91 -5.10 105.19 105.36 1wln n GLY 21 Ca 0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.39 2.99 -0.58 1.61 0.01 -1.26 -4.85 113.70 109.22 1wln s SER 22 Ca 0.00 -1.14 -0.18 0.00 1.31 0.00 0.00 55.95 55.94 1wln s SER 22 Cb 0.00 -0.21 0.11 0.00 0.21 0.00 0.00 66.02 66.13 1wln s SER 22 CO 0.00 -0.23 0.67 1.51 0.41 0.00 0.00 173.24 175.60 1wln s ASP 23 N -3.45 6.18 1.10 2.44 1.47 -1.26 -1.42 116.67 121.73 1wln s ASP 23 Ca 0.29 -1.49 -0.14 0.00 1.18 0.00 0.00 52.55 52.39 1wln s ASP 23 Cb 0.01 -2.29 0.21 0.00 -0.34 0.00 0.00 42.92 40.52 1wln s ASP 23 CO 0.12 -1.08 0.48 -0.24 0.68 0.00 0.00 175.17 175.14 1wln n SER 24 N 6.16 -3.10 -1.02 2.11 2.88 -1.26 -4.85 113.62 114.55 1wln n SER 24 Ca -0.10 -0.49 0.05 0.00 -1.33 0.00 0.00 58.87 57.00 1wln n SER 24 Cb 0.42 -0.66 0.21 0.00 -0.75 0.00 0.00 64.21 63.43 1wln n SER 24 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1wln n ARG 25 N -2.94 2.56 -4.51 -1.46 1.85 -1.26 -4.84 116.66 106.06 1wln n ARG 25 Ca 0.08 -1.65 -0.25 0.00 -1.00 0.00 0.00 57.85 55.03 1wln n ARG 25 Cb 0.33 -1.61 -0.13 0.00 -1.05 0.00 0.00 32.46 30.00 1wln n ARG 25 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wln s ASP 26 N -0.74 2.46 -0.23 2.89 1.11 -1.26 -5.08 116.67 115.82 1wln s ASP 26 Ca 0.30 -0.58 -0.29 0.00 0.18 0.00 0.00 52.55 52.16 1wln s ASP 26 Cb 0.19 -0.18 -0.04 0.00 1.07 0.00 0.00 42.92 43.97 1wln s ASP 26 CO 0.14 0.12 1.87 -0.54 1.18 0.00 0.00 175.17 177.94 1wln s LYS 27 N -1.43 3.50 0.69 8.23 1.02 -1.26 -4.96 119.74 125.52 1wln s LYS 27 Ca 0.07 1.77 -0.11 0.00 0.02 0.00 0.00 55.97 57.72 1wln s LYS 27 Cb -0.09 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 1wln s LYS 27 CO 0.03 -1.66 1.06 -1.25 -0.92 0.00 0.00 175.35 172.60 1wln s PRO 28 N 5.42 2.98 0.68 -1.68 0.04 -1.26 -5.02 135.00 136.16 1wln s PRO 28 Ca 0.84 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1wln s PRO 28 Cb -0.28 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1wln s PRO 28 CO 0.34 -1.07 1.13 0.15 0.04 0.00 0.00 177.00 177.58 1wln s LYS 29 N -4.97 2.61 -0.07 4.56 -0.14 -1.26 -4.83 119.74 115.64 1wln s LYS 29 Ca 0.58 1.45 0.03 0.00 -1.36 0.00 0.00 55.97 56.68 1wln s LYS 29 Cb -0.14 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1wln s LYS 29 CO 0.54 -1.41 -0.17 -1.17 -0.76 0.00 0.00 175.35 172.38 1wln s LEU 30 N -5.01 1.86 -0.64 3.17 2.96 -1.26 -1.73 118.68 118.02 1wln s LEU 30 Ca 0.68 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1wln s LEU 30 Cb -0.22 -1.05 0.16 0.00 0.50 0.00 0.00 46.19 45.58 1wln s LEU 30 CO 0.43 0.11 0.42 -0.31 -1.32 0.00 0.00 176.35 175.68 1wln s TYR 31 N 0.38 3.45 0.28 5.38 1.51 0.56 -4.91 117.35 124.00 1wln s TYR 31 Ca -0.13 -3.28 -0.30 0.00 -1.01 0.00 0.00 57.07 52.35 1wln s TYR 31 Cb -0.15 -2.76 -0.13 0.00 -0.11 0.00 0.00 41.96 38.81 1wln s TYR 31 CO 0.05 -0.62 1.44 0.54 -1.11 0.00 0.00 175.55 175.86 1wln n ARG 32 N 2.37 2.27 -2.18 -0.62 5.12 -1.26 0.11 116.66 122.46 1wln n ARG 32 Ca 0.15 0.81 -0.39 0.00 -1.93 0.00 0.00 57.85 56.48 1wln n ARG 32 Cb 0.34 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.16 1wln n ARG 32 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wln n LEU 33 N 1.84 7.56 -3.62 0.55 4.77 0.28 -4.83 117.00 123.55 1wln n LEU 33 Ca 0.09 -4.99 -0.37 0.00 -0.03 0.00 0.00 56.01 50.72 1wln n LEU 33 Cb 0.34 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.18 1wln n LEU 33 CO 0.63 1.99 -0.24 0.00 -1.33 0.00 0.00 177.39 178.44 1wln n GLN 34 N 0.69 0.00 -1.04 3.23 6.02 -1.26 -4.59 117.38 120.43 1wln n GLN 34 Ca 0.54 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 57.17 1wln n GLN 34 Cb 0.28 -0.84 0.03 0.00 1.02 0.00 0.00 30.24 30.74 1wln n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wln n LEU 35 N 1.85 -5.62 0.00 1.08 4.77 -1.26 -4.73 117.00 113.09 1wln n LEU 35 Ca 0.11 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1wln n LEU 35 Cb 0.29 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1wln n LEU 35 CO 0.46 -5.82 0.00 -1.20 -1.33 0.00 0.00 177.39 169.50 1wln n SER 36 N 3.31 0.00 -4.70 -1.43 7.64 -1.26 -4.88 113.62 112.30 1wln n SER 36 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wln n SER 36 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.65 3.20 -0.33 0.44 0.11 -1.26 -3.78 120.40 116.13 1wln s VAL 37 Ca 0.00 0.78 -0.05 0.00 -2.93 0.00 0.00 61.98 59.78 1wln s VAL 37 Cb 0.00 -3.50 0.05 0.00 -1.53 0.00 0.00 36.38 31.40 1wln s VAL 37 CO 0.00 0.03 0.08 -0.89 -3.33 0.00 0.00 175.10 170.99 1wln s THR 38 N 1.74 3.52 0.14 5.04 2.01 0.41 -4.88 115.64 123.62 1wln s THR 38 Ca 0.68 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1wln s THR 38 Cb -0.38 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 1wln s THR 38 CO 0.30 -0.19 1.28 -1.61 -0.69 0.00 0.00 174.62 173.71 1wln s GLU 39 N 1.34 4.40 0.19 4.92 2.02 -1.26 0.75 118.70 131.06 1wln s GLU 39 Ca -0.02 1.95 0.07 0.00 0.02 0.00 0.00 54.97 56.99 1wln s GLU 39 Cb -0.20 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1wln s GLU 39 CO 0.01 -0.26 0.02 0.08 0.02 0.00 0.00 175.26 175.12 1wln s VAL 40 N 0.56 3.77 -2.69 2.63 1.01 0.51 -0.54 120.40 125.64 1wln s VAL 40 Ca 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wln s VAL 40 Cb -0.34 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1wln s VAL 40 CO 0.34 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1wln n GLY 41 N -0.27 0.70 1.48 4.51 0.00 -1.07 -0.83 105.19 109.71 1wln n GLY 41 Ca -0.09 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 43.99 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 4.84 2.60 -4.19 2.61 -2.24 -0.24 0.19 114.28 117.85 1wln n THR 42 Ca 0.00 -1.68 -0.25 0.00 -2.27 0.00 0.00 64.05 59.85 1wln n THR 42 Cb 0.00 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.85 2.19 -0.20 -0.78 0.41 -1.22 -4.88 118.70 111.38 1wln s GLU 43 Ca 0.49 -1.86 0.01 0.00 -0.41 0.00 0.00 54.97 53.20 1wln s GLU 43 Cb 0.39 -1.95 0.04 0.00 -1.78 0.00 0.00 34.13 30.84 1wln s GLU 43 CO 0.12 -0.09 -0.10 0.21 -0.49 0.00 0.00 175.26 174.91 1wln s LYS 44 N -3.87 2.00 0.02 1.61 2.20 -1.26 -4.63 119.74 115.81 1wln s LYS 44 Ca 0.40 -0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1wln s LYS 44 Cb 0.04 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 1wln s LYS 44 CO 0.22 -0.43 -0.10 1.19 -0.36 0.00 0.00 175.35 175.88 1wln n PHE 45 N 4.69 0.00 -3.05 4.03 3.01 -1.26 -5.06 117.46 119.82 1wln n PHE 45 Ca -0.15 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.08 1wln n PHE 45 Cb 0.47 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1wln n PHE 45 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wln s ASP 46 N -5.97 5.98 0.16 4.37 1.11 -1.26 -5.00 116.67 116.06 1wln s ASP 46 Ca -0.08 0.38 -0.15 0.00 0.18 0.00 0.00 52.55 52.88 1wln s ASP 46 Cb 0.01 -1.72 0.07 0.00 1.07 0.00 0.00 42.92 42.35 1wln s ASP 46 CO 0.12 -0.59 1.79 -0.78 1.18 0.00 0.00 175.17 176.88 1wln h ASP 47 N 0.47 0.33 -2.31 0.27 1.82 -1.97 -3.08 116.42 111.95 1wln h ASP 47 Ca -0.47 0.02 -0.64 0.00 -0.39 0.00 0.00 57.03 55.54 1wln h ASP 47 Cb 1.24 -0.05 -0.39 0.00 0.68 0.00 0.00 39.33 40.81 1wln h ASP 47 CO 0.59 0.24 -0.28 0.59 -1.61 0.00 0.00 179.24 178.76 1wln n ASN 48 N -4.90 4.80 -4.62 2.28 3.02 -1.26 -5.05 115.26 109.53 1wln n ASN 48 Ca 0.02 -3.58 -0.24 0.00 -0.03 0.00 0.00 54.58 50.75 1wln n ASN 48 Cb 0.09 -0.74 0.12 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.72 4.15 -0.34 6.41 1.04 -1.17 -4.84 113.70 116.23 1wln s SER 49 Ca 0.43 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 1wln s SER 49 Cb 0.20 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1wln s SER 49 CO -0.07 -2.01 0.23 -0.63 0.98 0.00 0.00 173.24 171.74 1wln s ILE 50 N -3.20 5.20 -0.37 -1.02 1.01 0.29 -4.98 121.20 118.13 1wln s ILE 50 Ca 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 1wln s ILE 50 Cb -0.04 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.83 1wln s ILE 50 CO 0.45 -0.01 0.14 -1.58 0.00 0.00 0.00 174.94 173.94 1wln s GLN 51 N 1.71 2.32 0.18 2.79 0.74 -1.26 -2.58 119.66 123.56 1wln s GLN 51 Ca 0.06 -1.50 0.06 0.00 0.05 0.00 0.00 55.36 54.04 1wln s GLN 51 Cb -0.17 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1wln s GLN 51 CO 0.10 -0.86 0.07 -0.51 -0.55 0.00 0.00 175.29 173.55 1wln s LEU 52 N 1.26 3.55 -0.08 3.68 1.43 0.52 -4.96 118.68 124.07 1wln s LEU 52 Ca 0.02 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1wln s LEU 52 Cb -0.21 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1wln s LEU 52 CO -0.01 0.06 0.07 -0.36 0.23 0.00 0.00 176.35 176.35 1wln s PHE 53 N -1.81 0.09 0.16 0.29 0.08 -1.26 -3.40 117.98 112.13 1wln s PHE 53 Ca 0.30 0.09 -0.22 0.00 0.12 0.00 0.00 56.93 57.22 1wln s PHE 53 Cb -0.09 -0.54 0.06 0.00 -0.57 0.00 0.00 43.02 41.88 1wln s PHE 53 CO 0.21 -0.30 0.57 0.20 -0.10 0.00 0.00 175.22 175.80 1wln s GLY 54 N 2.17 -0.53 -0.82 4.36 0.00 -1.26 -5.01 107.32 106.23 1wln s GLY 54 Ca 0.04 0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.85 1wln s GLY 54 CO -0.05 0.06 1.63 2.56 0.00 0.00 0.00 173.10 177.29 1wln s PRO 55 N -3.77 3.00 0.00 2.90 0.04 -1.26 -2.05 135.00 133.86 1wln s PRO 55 Ca 0.02 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1wln s PRO 55 Cb -0.01 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1wln s PRO 55 CO -0.12 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1wln n GLY 56 N 6.20 1.14 3.88 0.56 0.00 -1.26 -5.03 105.19 110.68 1wln n GLY 56 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.78 4.87 0.47 -0.61 -1.09 -0.87 -4.85 121.20 117.34 1wln s ILE 57 Ca 0.00 0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1wln s ILE 57 Cb 0.00 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1wln s ILE 57 CO 0.00 -0.31 0.25 -1.10 -1.23 0.00 0.00 174.94 172.55 1wln s GLN 58 N -3.39 2.26 -0.08 2.79 -1.52 -1.26 -4.93 119.66 113.53 1wln s GLN 58 Ca 0.49 -1.95 -0.23 0.00 -1.95 0.00 0.00 55.36 51.72 1wln s GLN 58 Cb -0.11 -2.00 -0.19 0.00 -0.22 0.00 0.00 33.01 30.50 1wln s GLN 58 CO 0.26 -0.33 0.85 -1.00 -0.25 0.00 0.00 175.29 174.82 1wln h PRO 59 N 1.14 -0.09 -3.27 2.91 0.13 -1.89 -0.63 132.00 130.30 1wln h PRO 59 Ca -0.41 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.96 1wln h PRO 59 Cb 1.28 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 1wln h PRO 59 CO 0.65 0.50 0.34 1.58 -0.23 0.00 0.00 178.00 180.84 1wln n HIS 60 N -4.80 4.23 0.05 1.56 -0.00 -1.26 -3.15 115.22 111.84 1wln n HIS 60 Ca -0.08 -3.67 -0.02 0.00 -0.00 0.00 0.00 57.72 53.95 1wln n HIS 60 Cb 0.31 -1.40 -0.01 0.00 -0.00 0.00 0.00 29.99 28.89 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 6.05 -0.12 -3.48 1.57 2.76 -1.17 -3.03 115.15 117.73 1wln h HIS 61 Ca 0.18 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 1wln h HIS 61 Cb 0.78 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.72 1wln h HIS 61 CO 0.80 -0.08 0.01 0.00 -1.30 0.00 0.00 177.93 177.37 1wln s ASP 63 N -3.04 2.59 -0.48 0.00 1.01 -0.73 0.19 116.67 116.21 1wln s ASP 63 Ca 0.20 -0.57 -0.26 0.00 0.71 0.00 0.00 52.55 52.64 1wln s ASP 63 Cb -0.03 -0.78 0.03 0.00 1.01 0.00 0.00 42.92 43.16 1wln s ASP 63 CO 0.11 -0.20 0.96 -0.76 0.21 0.00 0.00 175.17 175.49 1wln s LEU 64 N 1.73 3.97 -0.32 1.23 2.01 0.23 -3.68 118.68 123.85 1wln s LEU 64 Ca 0.01 0.06 -0.09 0.00 0.01 0.00 0.00 54.13 54.12 1wln s LEU 64 Cb -0.15 -3.16 0.00 0.00 0.01 0.00 0.00 46.19 42.90 1wln s LEU 64 CO -0.07 -1.12 0.14 -0.89 1.01 0.00 0.00 176.35 175.42 1wln s THR 65 N 3.90 4.43 -0.53 5.49 2.01 -1.26 0.16 115.64 129.84 1wln s THR 65 Ca 0.37 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 1wln s THR 65 Cb -0.10 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.15 1wln s THR 65 CO 0.26 0.02 0.83 0.21 -0.69 0.00 0.00 174.62 175.25 1wln s ASN 66 N 1.57 6.30 -0.40 3.53 3.84 -1.25 -3.35 114.94 125.19 1wln s ASN 66 Ca 0.04 -0.52 0.03 0.00 0.21 0.00 0.00 52.86 52.62 1wln s ASN 66 Cb -0.17 -2.39 0.11 0.00 -0.55 0.00 0.00 41.25 38.25 1wln s ASN 66 CO 0.05 -1.10 0.12 -0.04 -2.79 0.00 0.00 177.10 173.34 1wln s MET 67 N 3.48 1.67 -0.51 0.43 -1.94 0.57 -4.27 119.30 118.73 1wln s MET 67 Ca 0.25 -2.09 -0.02 0.00 -1.71 0.00 0.00 55.69 52.12 1wln s MET 67 Cb -0.15 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1wln s MET 67 CO 0.17 -1.00 0.50 -0.25 -0.01 0.00 0.00 175.02 174.44 1wln n ASP 68 N 3.94 -6.28 -2.22 3.03 8.00 -1.26 -2.89 116.55 118.87 1wln n ASP 68 Ca 0.04 0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.51 1wln n ASP 68 Cb 0.39 -4.18 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 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 -1.39 -0.32 3.03 0.44 0.00 -1.26 -4.88 105.19 100.82 1wln n GLY 69 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.07 0.77 0.04 1.61 1.01 -1.14 -4.99 120.40 115.63 1wln s VAL 70 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1wln s VAL 70 Cb 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1wln s VAL 70 CO 0.00 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.49 1wln s VAL 71 N -0.20 1.09 -0.07 2.92 1.01 -1.26 0.21 120.40 124.11 1wln s VAL 71 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1wln s VAL 71 Cb -0.04 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1wln s VAL 71 CO -0.00 -0.00 0.02 0.42 0.00 0.00 0.00 175.10 175.53 1wln s THR 72 N -0.86 0.23 0.05 3.92 -4.23 -1.21 -0.68 115.64 112.86 1wln s THR 72 Ca 0.01 0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 1wln s THR 72 Cb -0.08 -0.43 -0.07 0.00 1.34 0.00 0.00 72.50 73.26 1wln s THR 72 CO 0.01 0.22 1.53 0.54 -0.54 0.00 0.00 174.62 176.38 1wln s VAL 73 N 2.03 3.28 -0.28 2.29 0.11 -0.42 -4.08 120.40 123.34 1wln s VAL 73 Ca 0.05 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 1wln s VAL 73 Cb -0.12 -3.48 0.08 0.00 -1.53 0.00 0.00 36.38 31.33 1wln s VAL 73 CO -0.05 0.01 0.04 -0.89 -3.33 0.00 0.00 175.10 170.88 1wln s THR 74 N 2.30 1.33 -0.19 5.04 2.01 -1.24 -1.27 115.64 123.61 1wln s THR 74 Ca 0.69 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1wln s THR 74 Cb -0.37 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 1wln s THR 74 CO 0.30 -0.44 1.29 -2.16 -0.69 0.00 0.00 174.62 172.92 1wln s PRO 75 N 1.43 4.16 -0.21 4.92 0.04 -1.26 -1.77 135.00 142.31 1wln s PRO 75 Ca 0.04 1.59 0.14 0.00 0.04 0.00 0.00 61.00 62.82 1wln s PRO 75 Cb -0.18 -3.80 0.48 0.00 0.04 0.00 0.00 34.50 31.04 1wln s PRO 75 CO -0.14 -0.81 1.38 0.54 0.04 0.00 0.00 177.00 178.01 1wln n ARG 76 N 6.79 2.25 -4.38 4.56 5.12 -0.81 -4.94 116.66 125.25 1wln n ARG 76 Ca 0.14 -2.92 -0.24 0.00 -1.93 0.00 0.00 57.85 52.90 1wln n ARG 76 Cb 0.45 -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 -2.34 1.71 -1.54 0.55 0.01 -1.14 -4.86 113.70 106.09 1wln s SER 77 Ca 0.41 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.31 1wln s SER 77 Cb 0.35 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1wln s SER 77 CO 0.04 -0.01 2.78 0.23 0.41 0.00 0.00 173.24 176.70 1wln n MET 78 N 4.08 3.91 0.00 12.44 2.81 -1.26 -3.14 117.12 135.96 1wln n MET 78 Ca -0.21 -2.55 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 1wln n MET 78 Cb 0.51 -2.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 1wln n MET 78 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wln n ASP 79 N 3.20 0.00 -4.57 7.83 8.00 -1.26 -5.09 116.55 124.66 1wln n ASP 79 Ca 0.73 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.85 1wln n ASP 79 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 2.01 -0.07 2.24 0.00 -1.19 -4.90 121.76 119.85 1wln s ALA 80 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1wln s ALA 80 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 23.12 18.84 1wln s ALA 80 CO 0.00 -3.90 1.12 -1.21 0.00 0.00 0.00 175.76 171.77 1wln s GLU 81 N 7.59 4.39 -0.24 0.00 0.41 -1.26 -4.87 118.70 124.72 1wln s GLU 81 Ca 0.97 1.56 -0.00 0.00 -0.41 0.00 0.00 54.97 57.09 1wln s GLU 81 Cb -0.22 -3.54 0.07 0.00 -1.78 0.00 0.00 34.13 28.66 1wln s GLU 81 CO 0.29 -0.37 0.00 0.99 -0.49 0.00 0.00 175.26 175.68 1wln s THR 82 N 2.02 1.23 -0.31 3.63 2.01 -1.26 -2.61 115.64 120.35 1wln s THR 82 Ca 0.53 -1.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1wln s THR 82 Cb -0.22 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1wln s THR 82 CO 0.21 -0.26 0.09 -0.31 -0.69 0.00 0.00 174.62 173.66 1wln s TYR 83 N 1.51 3.17 -0.87 4.92 2.02 -1.14 -1.79 117.35 125.17 1wln s TYR 83 Ca -0.01 -1.09 -0.19 0.00 -0.37 0.00 0.00 57.07 55.41 1wln s TYR 83 Cb -0.18 -2.26 0.12 0.00 -0.40 0.00 0.00 41.96 39.24 1wln s TYR 83 CO -0.10 -0.62 1.08 0.08 -1.57 0.00 0.00 175.55 174.42 1wln s VAL 84 N 1.47 4.69 -0.10 0.71 1.01 0.24 -1.56 120.40 126.85 1wln s VAL 84 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1wln s VAL 84 Cb -0.18 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1wln s VAL 84 CO 0.02 -1.48 0.00 -0.67 0.00 0.00 0.00 175.10 172.98 1wln n ASP 85 N 6.67 -1.56 0.00 3.32 2.03 -0.92 -3.23 116.55 122.85 1wln n ASP 85 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1wln n ASP 85 Cb 0.48 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.30 0.66 2.96 0.27 0.00 -1.25 -4.98 105.19 101.54 1wln n GLY 86 Ca -0.01 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.04 1.80 0.11 1.61 -0.21 -1.20 -5.02 119.66 115.71 1wln s GLN 87 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.23 1wln s GLN 87 Cb 0.00 -2.41 -0.07 0.00 1.00 0.00 0.00 33.01 31.53 1wln s GLN 87 CO 0.00 -0.49 1.27 0.50 -2.12 0.00 0.00 175.29 174.45 1wln s ARG 88 N 1.43 4.40 0.45 2.91 3.52 -1.26 0.79 118.95 131.20 1wln s ARG 88 Ca -0.03 1.91 0.01 0.00 -0.13 0.00 0.00 55.73 57.50 1wln s ARG 88 Cb -0.17 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1wln s ARG 88 CO -0.07 -0.28 0.66 0.96 -0.81 0.00 0.00 175.30 175.75 1wln s ILE 89 N 0.79 3.86 0.00 4.11 -4.36 -0.74 -4.94 121.20 119.92 1wln s ILE 89 Ca 0.59 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 60.40 1wln s ILE 89 Cb -0.33 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 39.96 1wln s ILE 89 CO 0.32 -0.27 0.61 -1.20 0.24 0.00 0.00 174.94 174.64 1wln n SER 90 N -2.05 0.57 -2.52 4.36 7.64 -1.26 -4.85 113.62 115.50 1wln n SER 90 Ca 0.02 -1.27 0.02 0.00 1.01 0.00 0.00 58.87 58.65 1wln n SER 90 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wln n GLU 91 N -0.14 0.03 -1.50 1.43 0.28 -1.26 -5.01 120.64 114.47 1wln n GLU 91 Ca 0.00 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.28 1wln n GLU 91 Cb 0.41 0.56 -0.08 0.00 1.43 0.00 0.00 31.44 33.76 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wln n THR 92 N -0.50 0.02 -3.91 3.84 -1.04 -1.25 -4.71 114.28 106.74 1wln n THR 92 Ca 0.03 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 1wln n THR 92 Cb 0.30 -1.76 -0.14 0.00 -1.82 0.00 0.00 70.33 66.91 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 9.75 3.22 0.47 12.58 2.01 -0.40 -4.91 115.64 138.36 1wln s THR 93 Ca 1.13 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 62.14 1wln s THR 93 Cb -0.71 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.13 1wln s THR 93 CO 0.40 0.27 0.91 0.23 -0.69 0.00 0.00 174.62 175.73 1wln n MET 94 N 4.75 1.10 -4.39 4.92 2.81 -1.26 -1.30 117.12 123.75 1wln n MET 94 Ca -0.17 0.40 -0.31 0.00 -1.81 0.00 0.00 57.70 55.81 1wln n MET 94 Cb 0.49 -1.98 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wln s LEU 95 N -0.44 3.09 0.04 4.03 1.43 0.14 -4.81 118.68 122.16 1wln s LEU 95 Ca 0.66 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1wln s LEU 95 Cb -0.52 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1wln s LEU 95 CO 0.55 0.24 -0.12 -1.10 0.23 0.00 0.00 176.35 176.15 1wln s GLN 96 N -1.72 0.79 0.08 1.70 -0.21 -1.26 -4.59 119.66 114.45 1wln s GLN 96 Ca 0.19 -0.71 -0.34 0.00 0.02 0.00 0.00 55.36 54.52 1wln s GLN 96 Cb -0.11 -0.75 -0.14 0.00 1.00 0.00 0.00 33.01 33.02 1wln s GLN 96 CO 0.10 0.18 1.65 -1.13 -2.12 0.00 0.00 175.29 173.96 1wln n SER 97 N 1.88 3.09 0.00 5.90 3.41 -1.26 -0.95 113.62 125.69 1wln n SER 97 Ca -0.19 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1wln n SER 97 Cb 0.55 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 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 3.63 2.24 3.77 5.00 0.00 0.12 -4.95 105.19 115.00 1wln n GLY 98 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1wln n GLY 98 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wln s MET 99 N -0.11 3.96 0.35 1.61 1.00 -0.12 -4.75 119.30 121.24 1wln s MET 99 Ca 0.00 2.38 -0.08 0.00 0.00 0.00 0.00 55.69 57.99 1wln s MET 99 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 34.83 31.95 1wln s MET 99 CO 0.00 -0.59 0.67 1.03 0.00 0.00 0.00 175.02 176.13 1wln s ARG 100 N -2.22 3.72 -0.25 2.03 0.52 -1.26 -1.41 118.95 120.09 1wln s ARG 100 Ca 0.56 0.26 -0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1wln s ARG 100 Cb -0.43 -2.51 0.07 0.00 0.52 0.00 0.00 34.95 32.60 1wln s ARG 100 CO 0.56 0.09 0.01 -0.51 0.02 0.00 0.00 175.30 175.48 1wln s LEU 101 N -3.66 2.26 -0.15 2.53 1.02 0.51 -2.17 118.68 119.03 1wln s LEU 101 Ca 0.48 -1.25 -0.14 0.00 0.02 0.00 0.00 54.13 53.25 1wln s LEU 101 Cb -0.10 -0.98 -0.05 0.00 0.02 0.00 0.00 46.19 45.08 1wln s LEU 101 CO 0.30 -0.31 0.30 -1.58 0.02 0.00 0.00 176.35 175.08 1wln s GLN 102 N 1.54 4.18 -0.50 1.70 0.74 -0.60 -0.33 119.66 126.39 1wln s GLN 102 Ca 0.00 0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.56 1wln s GLN 102 Cb -0.18 -3.40 0.15 0.00 1.10 0.00 0.00 33.01 30.68 1wln s GLN 102 CO -0.11 0.30 0.32 -0.06 -0.55 0.00 0.00 175.29 175.19 1wln s PHE 103 N 0.27 2.23 0.00 1.67 0.08 0.12 -2.87 117.98 119.48 1wln s PHE 103 Ca 0.17 -2.65 0.00 0.00 0.12 0.00 0.00 56.93 54.57 1wln s PHE 103 Cb -0.13 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1wln s PHE 103 CO 0.05 -0.73 0.00 0.41 -0.10 0.00 0.00 175.22 174.84 1wln n GLY 104 N 3.03 0.93 3.93 4.36 0.00 -1.07 -2.72 105.19 113.64 1wln n GLY 104 Ca 0.15 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1wln n GLY 104 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wln n THR 105 N -2.39 -0.11 0.02 2.61 5.66 -1.26 -4.48 114.28 114.33 1wln n THR 105 Ca 0.00 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1wln n THR 105 Cb 0.49 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1wln n THR 105 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wln n SER 106 N -1.85 -0.14 -4.39 1.09 2.88 -1.25 -5.04 113.62 104.92 1wln n SER 106 Ca 0.05 0.07 -0.44 0.00 -1.33 0.00 0.00 58.87 57.21 1wln n SER 106 Cb 0.39 0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wln s HIS 107 N -2.00 3.14 -0.17 0.66 4.02 -1.10 -4.92 115.29 114.91 1wln s HIS 107 Ca 0.00 -0.86 -0.03 0.00 1.02 0.00 0.00 55.06 55.19 1wln s HIS 107 Cb 0.00 -3.54 -0.02 0.00 -1.02 0.00 0.00 32.58 28.00 1wln s HIS 107 CO 0.00 -1.00 -0.06 0.08 1.02 0.00 0.00 174.74 174.78 1wln s VAL 108 N 2.15 3.55 0.01 -0.90 1.01 -1.26 0.15 120.40 125.12 1wln s VAL 108 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1wln s VAL 108 Cb -0.24 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1wln s VAL 108 CO 0.08 0.47 -0.07 -0.36 0.00 0.00 0.00 175.10 175.22 1wln s PHE 109 N 0.77 0.64 -0.27 5.22 0.40 0.55 0.18 117.98 125.47 1wln s PHE 109 Ca -0.02 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1wln s PHE 109 Cb -0.15 -0.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1wln s PHE 109 CO 0.02 -0.02 0.16 0.21 0.70 0.00 0.00 175.22 176.28 1wln s LYS 110 N -0.58 3.87 0.18 0.44 2.20 0.19 0.19 119.74 126.23 1wln s LYS 110 Ca -0.01 -0.36 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 1wln s LYS 110 Cb -0.05 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 1wln s LYS 110 CO 0.00 -0.18 0.87 0.12 -0.36 0.00 0.00 175.35 175.81 1wln s PHE 111 N 1.70 3.91 0.06 4.03 2.19 -0.50 -1.06 117.98 128.33 1wln s PHE 111 Ca 0.07 1.77 0.04 0.00 0.33 0.00 0.00 56.93 59.13 1wln s PHE 111 Cb -0.16 -2.90 -0.03 0.00 -1.31 0.00 0.00 43.02 38.62 1wln s PHE 111 CO 0.09 0.43 -0.12 0.08 1.83 0.00 0.00 175.22 177.53 1wln s VAL 112 N -0.90 0.93 -0.29 3.12 1.01 -0.33 0.16 120.40 124.10 1wln s VAL 112 Ca 0.40 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1wln s VAL 112 Cb -0.24 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.27 1wln s VAL 112 CO 0.29 -0.30 0.01 -0.62 0.00 0.00 0.00 175.10 174.48 1wln s ASP 113 N -1.75 4.33 0.38 3.32 2.15 -1.26 -1.95 116.67 121.88 1wln s ASP 113 Ca -0.04 -1.69 0.20 0.00 0.43 0.00 0.00 52.55 51.45 1wln s ASP 113 Cb -0.09 -1.34 0.56 0.00 -0.30 0.00 0.00 42.92 41.74 1wln s ASP 113 CO 0.02 -0.32 1.67 1.55 -0.17 0.00 0.00 175.17 177.91 1wln h PRO 114 N 7.82 0.00 -0.55 4.34 0.13 -1.88 -3.27 132.00 138.59 1wln h PRO 114 Ca -0.12 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.11 1wln h PRO 114 Cb 1.04 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.06 1wln h PRO 114 CO 0.47 0.33 -0.32 1.03 -0.23 0.00 0.00 178.00 179.29 1wln h SER 115 N 0.00 -1.09 -1.77 1.44 0.87 -1.85 -3.47 113.55 107.67 1wln h SER 115 Ca -0.00 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wln h SER 115 Cb 1.00 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1wln h SER 115 CO 0.04 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.65 1wln n GLY 116 N -1.43 2.53 3.67 5.77 0.00 -1.23 -5.00 105.19 109.50 1wln n GLY 116 Ca 0.04 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.65 4.27 -0.13 1.61 0.04 -1.26 -5.00 135.00 129.88 1wln s PRO 117 Ca 0.00 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 1wln s PRO 117 Cb 0.00 -3.69 0.05 0.00 0.04 0.00 0.00 34.50 30.89 1wln s PRO 117 CO 0.00 -0.62 0.50 0.45 0.04 0.00 0.00 177.00 177.37 1wln s SER 118 N 1.84 -0.49 0.07 6.66 0.15 -1.26 -5.17 113.70 115.50 1wln s SER 118 Ca 0.56 0.79 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1wln s SER 118 Cb -0.23 0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1wln s SER 118 CO 0.18 -0.30 -0.10 -0.44 1.20 0.00 0.00 173.24 173.77 1wln s SER 119 N -0.28 1.30 0.00 5.45 0.01 -1.26 -5.22 113.70 113.69 1wln s SER 119 Ca -0.04 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1wln s SER 119 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1wln s SER 119 CO 0.03 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.09