#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic s SER 2 N 0.00 -1.37 -0.48 1.61 0.15 -1.26 -5.11 113.70 107.25 1wic s SER 2 Ca 0.00 -1.46 -0.17 0.00 0.70 0.00 0.00 55.95 55.03 1wic s SER 2 Cb 0.00 1.85 0.06 0.00 -1.71 0.00 0.00 66.02 66.22 1wic s SER 2 CO 0.00 -0.10 0.46 -0.94 1.20 0.00 0.00 173.24 173.86 1wic s SER 3 N 1.18 6.17 0.00 5.45 1.04 -1.26 -4.93 113.70 121.35 1wic s SER 3 Ca 0.25 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1wic s SER 3 Cb -0.01 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wic s SER 3 CO -0.06 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1wic n GLY 4 N 5.19 -0.05 3.65 7.32 0.00 -1.26 -5.10 105.19 114.94 1wic n GLY 4 Ca -0.11 -2.27 -0.04 0.00 0.00 0.00 0.00 46.02 43.61 1wic n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wic s SER 5 N -4.00 -0.23 0.78 1.61 1.04 -1.26 -5.16 113.70 106.48 1wic s SER 5 Ca 0.00 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.70 1wic s SER 5 Cb 0.00 0.64 0.07 0.00 0.10 0.00 0.00 66.02 66.82 1wic s SER 5 CO 0.00 -0.07 1.20 -0.44 0.98 0.00 0.00 173.24 174.91 1wic s SER 6 N 0.45 3.83 -0.45 7.02 0.01 -1.26 -4.23 113.70 119.07 1wic s SER 6 Ca 0.01 2.34 -0.05 0.00 1.31 0.00 0.00 55.95 59.56 1wic s SER 6 Cb -0.04 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1wic s SER 6 CO -0.12 -2.51 0.49 0.61 0.41 0.00 0.00 173.24 172.12 1wic n GLY 7 N 0.38 -1.07 3.38 3.44 0.00 -1.26 -4.91 105.19 105.15 1wic n GLY 7 Ca 0.13 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.34 1wic n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wic n LYS 8 N -1.03 0.31 -1.03 1.61 3.00 -1.26 -4.82 118.16 114.94 1wic n LYS 8 Ca 0.04 0.12 -0.36 0.00 -0.00 0.00 0.00 58.31 58.11 1wic n LYS 8 Cb 0.43 -1.38 0.06 0.00 0.00 0.00 0.00 35.03 34.14 1wic n LYS 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1wic n LYS 9 N 0.68 -0.01 -1.55 1.64 5.02 -1.26 -4.93 118.16 117.74 1wic n LYS 9 Ca 0.10 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.12 1wic n LYS 9 Cb 0.46 -1.39 0.11 0.00 -0.02 0.00 0.00 35.03 34.18 1wic n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wic s PRO 10 N -2.44 1.78 -0.42 1.97 0.04 -1.26 -5.02 135.00 129.64 1wic s PRO 10 Ca 0.52 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1wic s PRO 10 Cb -0.27 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1wic s PRO 10 CO 0.72 -1.81 0.31 -0.51 0.04 0.00 0.00 177.00 175.75 1wic s LEU 11 N -5.86 5.19 -0.14 -3.56 1.02 -1.26 -5.05 118.68 109.02 1wic s LEU 11 Ca 0.62 -1.02 -0.00 0.00 0.02 0.00 0.00 54.13 53.74 1wic s LEU 11 Cb -0.14 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.90 1wic s LEU 11 CO 0.54 -0.49 -0.12 -0.44 0.02 0.00 0.00 176.35 175.85 1wic s SER 12 N 1.88 4.02 -0.03 2.29 0.01 -1.26 -5.09 113.70 115.52 1wic s SER 12 Ca 0.04 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.02 1wic s SER 12 Cb -0.20 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 1wic s SER 12 CO 0.09 0.15 -0.20 0.68 0.41 0.00 0.00 173.24 174.37 1wic s VAL 13 N 0.46 1.57 -0.79 3.43 -7.23 -1.26 -0.90 120.40 115.68 1wic s VAL 13 Ca -0.09 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 1wic s VAL 13 Cb -0.16 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1wic s VAL 13 CO 0.04 0.44 1.61 0.12 -0.31 0.00 0.00 175.10 177.01 1wic s PHE 14 N -0.31 2.06 -0.73 2.82 5.36 0.16 -4.80 117.98 122.54 1wic s PHE 14 Ca 0.04 0.15 -0.26 0.00 -0.96 0.00 0.00 56.93 55.90 1wic s PHE 14 Cb -0.09 -4.38 -0.15 0.00 -0.34 0.00 0.00 43.02 38.06 1wic s PHE 14 CO 0.00 -2.05 2.49 1.63 -1.46 0.00 0.00 175.22 175.82 1wic n LYS 15 N 9.13 0.57 -2.86 10.12 4.01 -1.26 -2.77 118.16 135.10 1wic n LYS 15 Ca 0.21 -0.11 -0.28 0.00 -0.51 0.00 0.00 58.31 57.62 1wic n LYS 15 Cb 0.50 -2.69 -0.02 0.00 -0.51 0.00 0.00 35.03 32.32 1wic n LYS 15 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1wic s GLY 16 N 10.13 1.67 0.37 0.72 0.00 -1.26 -4.98 107.32 113.98 1wic s GLY 16 Ca 1.12 -0.45 0.27 0.00 0.00 0.00 0.00 44.72 45.66 1wic s GLY 16 CO 0.33 -0.29 1.78 -0.56 0.00 0.00 0.00 173.10 174.36 1wic h PRO 17 N 0.79 0.00 0.00 2.90 0.13 -2.00 -3.42 132.00 130.40 1wic h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wic h PRO 17 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wic h PRO 17 CO 0.63 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1wic n LEU 18 N -2.70 0.00 -4.63 1.56 4.77 -1.26 -4.82 117.00 109.92 1wic n LEU 18 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.66 1wic n LEU 18 Cb 0.37 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1wic n LEU 18 CO 0.28 -0.17 -0.23 -0.22 -1.33 0.00 0.00 177.39 175.72 1wic s LEU 19 N -3.02 3.90 -0.08 2.23 1.98 -1.26 -2.59 118.68 119.84 1wic s LEU 19 Ca 0.00 0.08 -0.30 0.00 -2.89 0.00 0.00 54.13 51.02 1wic s LEU 19 Cb 0.00 -2.01 -0.02 0.00 0.66 0.00 0.00 46.19 44.82 1wic s LEU 19 CO 0.00 0.12 1.02 -1.00 -1.89 0.00 0.00 176.35 174.60 1wic s HIS 20 N 0.68 3.52 -0.07 5.38 3.76 1.00 -4.18 115.29 125.38 1wic s HIS 20 Ca 0.05 1.59 -0.13 0.00 -0.15 0.00 0.00 55.06 56.42 1wic s HIS 20 Cb -0.13 -3.19 -0.05 0.00 1.11 0.00 0.00 32.58 30.32 1wic s HIS 20 CO 0.01 -0.27 0.32 0.42 -0.85 0.00 0.00 174.74 174.38 1wic s ILE 21 N 1.84 5.21 -0.11 0.60 -1.09 -1.12 -0.69 121.20 125.85 1wic s ILE 21 Ca 0.50 0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 59.48 1wic s ILE 21 Cb -0.19 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1wic s ILE 21 CO 0.20 0.54 0.26 -0.55 -1.23 0.00 0.00 174.94 174.15 1wic s SER 22 N -0.65 -0.28 0.44 3.58 0.15 0.35 0.37 113.70 117.65 1wic s SER 22 Ca 0.20 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wic s SER 22 Cb -0.15 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wic s SER 22 CO 0.09 -0.16 0.00 -0.81 1.20 0.00 0.00 173.24 173.56 1wic n PRO 23 N 4.14 0.34 0.00 5.44 -0.04 -1.26 0.11 135.00 143.73 1wic n PRO 23 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1wic n PRO 23 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1wic n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 24 N -3.00 0.00 -3.02 0.55 0.00 -0.08 -4.38 120.51 110.59 1wic n ALA 24 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1wic n ALA 24 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1wic n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 25 N 0.00 3.91 -3.57 0.00 1.02 -1.26 -4.69 120.64 116.05 1wic n GLU 25 Ca 0.00 -4.69 -0.15 0.00 -0.02 0.00 0.00 57.16 52.31 1wic n GLU 25 Cb 0.00 -2.37 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wic s GLU 26 N -3.24 0.85 -0.13 3.49 -1.05 -1.24 -4.52 118.70 112.86 1wic s GLU 26 Ca 0.39 0.39 -0.09 0.00 -0.15 0.00 0.00 54.97 55.52 1wic s GLU 26 Cb 0.16 0.40 0.04 0.00 -0.44 0.00 0.00 34.13 34.30 1wic s GLU 26 CO -0.04 -0.23 0.33 -0.51 0.95 0.00 0.00 175.26 175.77 1wic s LEU 27 N -0.76 0.38 -0.29 1.83 1.43 0.44 -4.62 118.68 117.09 1wic s LEU 27 Ca -0.05 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1wic s LEU 27 Cb -0.01 1.08 0.09 0.00 0.03 0.00 0.00 46.19 47.37 1wic s LEU 27 CO 0.05 -0.15 0.08 -0.31 0.23 0.00 0.00 176.35 176.24 1wic s TYR 28 N 0.90 1.74 -0.94 0.29 2.02 -1.26 -0.29 117.35 119.80 1wic s TYR 28 Ca -0.06 -1.67 -0.23 0.00 -0.37 0.00 0.00 57.07 54.74 1wic s TYR 28 Cb -0.07 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 39.90 1wic s TYR 28 CO -0.06 -0.84 1.33 -0.06 -1.57 0.00 0.00 175.55 174.34 1wic s PHE 29 N 1.61 2.62 0.00 2.71 0.40 -1.26 -4.26 117.98 119.80 1wic s PHE 29 Ca 0.07 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1wic s PHE 29 Cb -0.17 -4.58 0.00 0.00 0.51 0.00 0.00 43.02 38.78 1wic s PHE 29 CO -0.21 -1.85 0.00 0.41 0.70 0.00 0.00 175.22 174.27 1wic n GLY 30 N 6.29 -0.75 3.77 4.36 0.00 -1.25 -4.41 105.19 113.20 1wic n GLY 30 Ca 0.24 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 1wic n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 31 N 0.00 6.18 0.00 1.61 0.01 -1.25 -4.11 113.70 116.14 1wic s SER 31 Ca 0.00 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1wic s SER 31 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1wic s SER 31 CO 0.00 -0.92 0.00 -0.38 0.41 0.00 0.00 173.24 172.35 1wic n ILE 32 N -0.32 0.00 -4.65 1.44 5.41 -1.26 -4.61 119.36 115.37 1wic n ILE 32 Ca 0.06 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.53 1wic n ILE 32 Cb 0.47 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.34 1wic n ILE 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wic n GLU 33 N 0.00 0.91 -1.07 0.38 -0.58 -1.26 -5.03 120.64 113.99 1wic n GLU 33 Ca 0.00 -3.27 -0.17 0.00 -0.42 0.00 0.00 57.16 53.30 1wic n GLU 33 Cb 0.00 0.86 0.20 0.00 -0.57 0.00 0.00 31.44 31.94 1wic n GLU 33 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wic n SER 34 N -1.29 4.00 -0.08 1.62 7.64 -1.26 -4.39 113.62 119.87 1wic n SER 34 Ca -0.18 -3.36 -0.08 0.00 1.01 0.00 0.00 58.87 56.26 1wic n SER 34 Cb 0.57 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 35 N -0.71 -0.85 3.39 0.23 0.00 -1.26 -4.69 105.19 101.30 1wic n GLY 35 Ca 0.49 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.90 1wic n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wic s GLU 36 N -2.39 3.94 -1.15 1.61 2.02 -1.26 -4.94 118.70 116.52 1wic s GLU 36 Ca -0.20 -2.64 -0.20 0.00 0.02 0.00 0.00 54.97 51.96 1wic s GLU 36 Cb 0.03 -4.73 -0.05 0.00 0.10 0.00 0.00 34.13 29.49 1wic s GLU 36 CO 0.31 -1.49 1.94 1.63 0.02 0.00 0.00 175.26 177.68 1wic n LYS 37 N 4.43 2.20 -3.85 1.61 5.02 -1.26 -3.77 118.16 122.53 1wic n LYS 37 Ca 0.25 -2.53 -0.12 0.00 -2.02 0.00 0.00 58.31 53.90 1wic n LYS 37 Cb 0.44 -3.38 -0.12 0.00 -0.02 0.00 0.00 35.03 31.94 1wic n LYS 37 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wic s LYS 38 N 4.93 0.18 0.29 1.97 2.36 -1.26 -4.46 119.74 123.74 1wic s LYS 38 Ca 0.58 0.03 0.07 0.00 -2.55 0.00 0.00 55.97 54.10 1wic s LYS 38 Cb 0.07 0.08 -0.03 0.00 -1.05 0.00 0.00 37.83 36.90 1wic s LYS 38 CO 0.08 -0.03 0.24 -0.08 1.55 0.00 0.00 175.35 177.11 1wic s THR 39 N -0.22 3.99 -0.13 3.43 -1.32 -0.81 -4.12 115.64 116.46 1wic s THR 39 Ca -0.03 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.05 1wic s THR 39 Cb -0.02 -3.29 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 1wic s THR 39 CO 0.00 -0.27 -0.03 -0.22 -2.21 0.00 0.00 174.62 171.90 1wic s LEU 40 N -3.92 1.15 0.04 9.08 2.96 -1.26 0.08 118.68 126.82 1wic s LEU 40 Ca 0.37 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 1wic s LEU 40 Cb -0.07 -0.71 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 1wic s LEU 40 CO 0.26 -0.19 0.51 -0.63 -1.32 0.00 0.00 176.35 174.97 1wic s ILE 41 N 1.78 4.87 -0.10 6.68 1.01 0.21 -4.64 121.20 131.01 1wic s ILE 41 Ca 0.03 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1wic s ILE 41 Cb -0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1wic s ILE 41 CO -0.07 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.58 1wic s VAL 42 N -0.98 2.98 -0.32 2.92 1.01 0.30 0.58 120.40 126.88 1wic s VAL 42 Ca 0.27 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1wic s VAL 42 Cb -0.18 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.07 1wic s VAL 42 CO 0.17 0.55 0.01 -0.76 0.00 0.00 0.00 175.10 175.07 1wic s LEU 43 N -0.07 4.28 -0.52 3.92 1.43 -1.08 -0.50 118.68 126.13 1wic s LEU 43 Ca -0.03 -1.79 -0.19 0.00 -1.03 0.00 0.00 54.13 51.10 1wic s LEU 43 Cb -0.14 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.51 1wic s LEU 43 CO 0.04 -0.32 0.63 -0.89 0.23 0.00 0.00 176.35 176.04 1wic s THR 44 N 1.04 4.88 -0.51 5.49 2.01 0.14 -1.60 115.64 127.09 1wic s THR 44 Ca 0.02 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.10 1wic s THR 44 Cb -0.20 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1wic s THR 44 CO -0.06 -0.86 1.41 0.21 -0.69 0.00 0.00 174.62 174.63 1wic s ASN 45 N 2.89 6.20 -0.03 3.53 2.47 -0.46 -0.00 114.94 129.55 1wic s ASN 45 Ca 0.14 0.48 -0.08 0.00 0.42 0.00 0.00 52.86 53.82 1wic s ASN 45 Cb -0.21 -2.54 -0.30 0.00 -1.45 0.00 0.00 41.25 36.75 1wic s ASN 45 CO 0.10 -1.61 0.73 -0.37 -3.72 0.00 0.00 177.10 172.24 1wic h VAL 46 N 6.41 1.01 -3.05 -5.21 -1.51 -1.81 0.33 116.25 112.42 1wic h VAL 46 Ca -0.27 -2.61 -0.56 0.00 -1.23 0.00 0.00 66.70 62.03 1wic h VAL 46 Cb 1.10 2.76 0.20 0.00 -2.13 0.00 0.00 31.29 33.21 1wic h VAL 46 CO 1.14 0.84 -0.62 0.35 -1.23 0.00 0.00 177.57 178.05 1wic n THR 47 N -3.54 1.17 -0.78 7.19 -2.24 -1.20 -4.55 114.28 110.33 1wic n THR 47 Ca -0.22 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 61.02 1wic n THR 47 Cb 1.07 -0.59 0.17 0.00 -2.10 0.00 0.00 70.33 68.87 1wic n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wic n LYS 48 N -0.44 2.28 -3.75 -0.78 4.01 -1.26 -3.96 118.16 114.26 1wic n LYS 48 Ca 0.08 -2.47 -0.13 0.00 -0.51 0.00 0.00 58.31 55.29 1wic n LYS 48 Cb 0.51 -1.98 -0.11 0.00 -0.51 0.00 0.00 35.03 32.94 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1wic s ASN 49 N -0.84 -0.37 0.20 4.39 0.01 -1.26 -4.96 114.94 112.11 1wic s ASN 49 Ca 0.46 0.72 -0.27 0.00 -0.71 0.00 0.00 52.86 53.07 1wic s ASN 49 Cb 0.38 0.73 -0.16 0.00 0.41 0.00 0.00 41.25 42.61 1wic s ASN 49 CO 0.09 -0.13 0.48 -0.38 -1.51 0.00 0.00 177.10 175.65 1wic n ILE 50 N 2.94 1.85 -3.78 0.60 5.41 -1.09 -4.50 119.36 120.79 1wic n ILE 50 Ca -0.13 -0.48 -0.25 0.00 1.00 0.00 0.00 62.75 62.89 1wic n ILE 50 Cb 0.57 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.33 1wic n ILE 50 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1wic s VAL 51 N -1.00 0.49 0.08 1.39 1.01 -1.17 0.20 120.40 121.40 1wic s VAL 51 Ca 0.61 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1wic s VAL 51 Cb -0.88 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1wic s VAL 51 CO 0.54 0.16 0.95 0.00 0.00 0.00 0.00 175.10 176.76 1wic s ALA 52 N 1.91 3.23 0.26 5.51 0.00 0.06 -1.30 121.76 131.43 1wic s ALA 52 Ca 0.04 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.63 1wic s ALA 52 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1wic s ALA 52 CO -0.06 -0.07 -0.13 -0.59 0.00 0.00 0.00 175.76 174.91 1wic s PHE 53 N 0.22 1.99 -0.06 0.00 -0.12 0.22 -0.33 117.98 119.91 1wic s PHE 53 Ca 0.48 -0.53 -0.21 0.00 -0.05 0.00 0.00 56.93 56.61 1wic s PHE 53 Cb -0.23 -0.98 0.04 0.00 -0.63 0.00 0.00 43.02 41.23 1wic s PHE 53 CO 0.29 0.46 0.48 0.15 -0.05 0.00 0.00 175.22 176.54 1wic s LYS 54 N -3.62 0.80 -0.21 1.99 1.02 0.16 -2.96 119.74 116.91 1wic s LYS 54 Ca 0.27 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1wic s LYS 54 Cb -0.01 0.37 0.04 0.00 -0.52 0.00 0.00 37.83 37.72 1wic s LYS 54 CO 0.11 -0.22 -0.12 0.08 -0.92 0.00 0.00 175.35 174.28 1wic s VAL 55 N -1.02 1.89 0.05 3.17 1.01 -1.26 0.21 120.40 124.45 1wic s VAL 55 Ca -0.10 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.78 1wic s VAL 55 Cb -0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1wic s VAL 55 CO 0.06 0.18 -0.25 -0.60 0.00 0.00 0.00 175.10 174.49 1wic s ARG 56 N 1.29 1.67 0.20 2.72 3.00 0.17 -4.89 118.95 123.10 1wic s ARG 56 Ca -0.02 -1.08 0.00 0.00 -1.00 0.00 0.00 55.73 53.63 1wic s ARG 56 Cb -0.17 -1.84 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 1wic s ARG 56 CO -0.08 0.47 0.09 -0.08 0.00 0.00 0.00 175.30 175.70 1wic s THR 57 N -0.82 0.32 -2.00 4.11 -1.32 -1.26 0.19 115.64 114.86 1wic s THR 57 Ca 0.11 -1.98 0.21 0.00 -1.21 0.00 0.00 61.69 58.82 1wic s THR 57 Cb -0.10 -2.41 0.60 0.00 -1.51 0.00 0.00 72.50 69.09 1wic s THR 57 CO 0.02 -0.16 1.80 0.35 -2.21 0.00 0.00 174.62 174.42 1wic n THR 58 N -0.30 0.00 -3.02 5.08 -2.24 -1.09 -4.04 114.28 108.68 1wic n THR 58 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1wic n THR 58 Cb 0.65 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1wic n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wic n ALA 59 N -0.84 0.30 0.14 6.98 0.00 -1.26 -4.97 120.51 120.85 1wic n ALA 59 Ca 0.16 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.51 1wic n ALA 59 Cb 0.07 -1.14 0.14 0.00 0.00 0.00 0.00 19.45 18.52 1wic n ALA 59 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wic h PRO 60 N 4.85 0.00 -0.30 0.00 0.13 -1.82 0.03 132.00 134.89 1wic h PRO 60 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1wic h PRO 60 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1wic h PRO 60 CO 0.25 0.61 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 1wic n GLU 61 N -3.55 1.76 -0.00 0.86 0.28 -1.26 -3.96 120.64 114.76 1wic n GLU 61 Ca -0.00 -1.17 -0.01 0.00 -0.16 0.00 0.00 57.16 55.82 1wic n GLU 61 Cb 0.67 -1.28 -0.00 0.00 1.43 0.00 0.00 31.44 32.25 1wic n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wic n LYS 62 N 0.44 0.02 -3.69 3.44 5.02 -1.06 -4.96 118.16 117.37 1wic n LYS 62 Ca 0.12 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 1wic n LYS 62 Cb 0.29 -0.71 -0.12 0.00 -0.02 0.00 0.00 35.03 34.46 1wic n LYS 62 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wic s TYR 63 N -2.01 3.15 -0.57 2.13 2.02 -0.03 -0.33 117.35 121.71 1wic s TYR 63 Ca -0.01 -0.52 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 1wic s TYR 63 Cb 0.00 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 1wic s TYR 63 CO 0.01 -0.42 1.20 0.50 -1.57 0.00 0.00 175.55 175.28 1wic s ARG 64 N 1.61 3.52 -0.17 -0.62 3.00 0.45 -4.63 118.95 122.11 1wic s ARG 64 Ca 0.05 0.28 -0.07 0.00 -1.00 0.00 0.00 55.73 55.00 1wic s ARG 64 Cb -0.16 -4.01 -0.04 0.00 0.00 0.00 0.00 34.95 30.73 1wic s ARG 64 CO 0.05 -1.68 0.05 0.08 0.00 0.00 0.00 175.30 173.80 1wic s VAL 65 N 4.99 4.69 -0.28 7.11 1.01 -1.26 -2.18 120.40 134.47 1wic s VAL 65 Ca 0.44 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1wic s VAL 65 Cb -0.08 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.32 1wic s VAL 65 CO 0.26 0.48 0.78 -0.75 0.00 0.00 0.00 175.10 175.87 1wic s LYS 66 N 0.20 0.59 0.31 2.72 2.36 -0.97 -3.60 119.74 121.36 1wic s LYS 66 Ca 0.04 1.06 -0.28 0.00 -2.55 0.00 0.00 55.97 54.24 1wic s LYS 66 Cb -0.12 0.17 -0.09 0.00 -1.05 0.00 0.00 37.83 36.74 1wic s LYS 66 CO 0.01 -0.13 1.07 -1.25 1.55 0.00 0.00 175.35 176.60 1wic s PRO 67 N 1.65 4.54 -0.22 4.03 0.04 -1.26 -1.24 135.00 142.54 1wic s PRO 67 Ca -0.09 1.70 0.13 0.00 0.04 0.00 0.00 61.00 62.78 1wic s PRO 67 Cb -0.05 -3.03 0.48 0.00 0.04 0.00 0.00 34.50 31.94 1wic s PRO 67 CO -0.18 0.15 1.39 -1.13 0.04 0.00 0.00 177.00 177.27 1wic n SER 68 N 0.89 2.94 0.00 6.66 3.41 -1.24 -4.74 113.62 121.54 1wic n SER 68 Ca 0.00 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1wic n SER 68 Cb 0.46 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wic n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wic n ASN 69 N -0.94 0.00 0.00 4.04 2.85 -1.26 -4.21 115.26 115.74 1wic n ASN 69 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1wic n ASN 69 Cb 0.91 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.93 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wic n SER 70 N 0.00 0.00 -4.24 1.20 2.88 -1.15 -4.94 113.62 107.36 1wic n SER 70 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1wic n SER 70 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 71 N -4.00 0.77 -0.10 -3.46 0.15 -1.26 -0.61 113.70 105.19 1wic s SER 71 Ca 0.00 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1wic s SER 71 Cb 0.00 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1wic s SER 71 CO 0.00 -0.72 -0.09 0.00 1.20 0.00 0.00 173.24 173.63 1wic n ASP 73 N 4.62 -1.19 -4.73 0.00 8.00 -1.26 -3.04 116.55 118.95 1wic n ASP 73 Ca -0.16 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1wic n ASP 73 Cb 0.50 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.27 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wic s PRO 74 N -4.04 4.55 -0.46 -0.24 0.04 -1.26 -3.35 135.00 130.24 1wic s PRO 74 Ca 0.61 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1wic s PRO 74 Cb -0.21 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wic s PRO 74 CO 0.64 -0.00 0.31 0.41 0.04 0.00 0.00 177.00 178.39 1wic n GLY 75 N 2.26 0.41 3.38 0.56 0.00 0.12 -5.00 105.19 106.92 1wic n GLY 75 Ca 0.04 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic s ALA 76 N -2.96 1.44 -0.02 4.61 0.00 -1.21 -5.00 121.76 118.62 1wic s ALA 76 Ca 0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.23 1wic s ALA 76 Cb -0.07 1.34 0.02 0.00 0.00 0.00 0.00 23.12 24.41 1wic s ALA 76 CO 0.19 -0.73 0.04 -1.54 0.00 0.00 0.00 175.76 173.73 1wic s SER 77 N -3.33 -0.00 0.45 0.00 1.04 -1.26 -1.35 113.70 109.25 1wic s SER 77 Ca 0.36 0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.95 1wic s SER 77 Cb 0.01 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1wic s SER 77 CO 0.26 -0.07 0.47 -0.51 0.98 0.00 0.00 173.24 174.36 1wic s ILE 78 N 0.56 2.51 -0.07 -1.02 2.07 -0.63 -4.90 121.20 119.72 1wic s ILE 78 Ca -0.05 -1.26 0.01 0.00 -1.41 0.00 0.00 60.65 57.94 1wic s ILE 78 Cb -0.06 -2.77 0.02 0.00 0.13 0.00 0.00 42.46 39.77 1wic s ILE 78 CO -0.02 0.00 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.14 1wic s ASP 79 N -4.26 1.62 -0.28 4.50 1.01 -1.26 -2.64 116.67 115.37 1wic s ASP 79 Ca 0.49 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.57 1wic s ASP 79 Cb -0.05 -0.66 0.07 0.00 1.01 0.00 0.00 42.92 43.30 1wic s ASP 79 CO 0.29 -0.07 -0.07 -0.63 0.21 0.00 0.00 175.17 174.90 1wic s ILE 80 N 1.26 2.13 0.32 0.77 -1.09 0.19 -4.01 121.20 120.77 1wic s ILE 80 Ca -0.05 -1.76 -0.26 0.00 -2.23 0.00 0.00 60.65 56.35 1wic s ILE 80 Cb -0.14 -2.32 -0.10 0.00 -1.58 0.00 0.00 42.46 38.32 1wic s ILE 80 CO -0.02 -0.16 0.96 -0.63 -1.23 0.00 0.00 174.94 173.85 1wic s ILE 81 N 1.09 4.13 -0.33 2.92 1.09 -0.37 0.64 121.20 130.37 1wic s ILE 81 Ca -0.04 1.80 -0.01 0.00 -1.10 0.00 0.00 60.65 61.30 1wic s ILE 81 Cb -0.20 -4.01 0.11 0.00 -1.06 0.00 0.00 42.46 37.30 1wic s ILE 81 CO -0.06 0.17 0.13 -0.69 -0.10 0.00 0.00 174.94 174.40 1wic s VAL 82 N -1.56 0.63 -0.06 2.92 1.01 0.11 -2.28 120.40 121.18 1wic s VAL 82 Ca 0.50 -1.42 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1wic s VAL 82 Cb -0.20 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wic s VAL 82 CO 0.25 -0.75 -0.24 -0.55 0.00 0.00 0.00 175.10 173.82 1wic s SER 83 N 1.52 3.18 1.08 3.32 0.15 -0.92 -1.93 113.70 120.10 1wic s SER 83 Ca 0.11 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 1wic s SER 83 Cb -0.18 -0.83 0.18 0.00 -1.71 0.00 0.00 66.02 63.48 1wic s SER 83 CO -0.22 0.26 0.81 -0.81 1.20 0.00 0.00 173.24 174.48 1wic n PRO 84 N 2.88 -1.64 -0.56 5.44 -0.04 -1.26 0.17 135.00 139.99 1wic n PRO 84 Ca -0.17 -1.27 -0.20 0.00 -0.04 0.00 0.00 63.50 61.82 1wic n PRO 84 Cb 0.52 -1.00 0.14 0.00 -0.04 0.00 0.00 33.50 33.12 1wic n PRO 84 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1wic n HIS 85 N -3.64 -2.22 -0.33 0.54 -0.00 0.55 -4.60 115.22 105.53 1wic n HIS 85 Ca 0.11 0.03 0.26 0.00 0.46 0.00 0.00 57.72 58.58 1wic n HIS 85 Cb 0.39 -1.40 0.49 0.00 -0.12 0.00 0.00 29.99 29.35 1wic n HIS 85 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1wic h GLY 86 N -2.57 1.93 -5.08 1.57 0.00 -1.95 -3.05 103.07 93.91 1wic h GLY 86 Ca -0.27 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 1wic h GLY 86 CO 0.17 -0.71 -0.46 0.61 0.00 0.00 0.00 176.54 176.15 1wic n GLY 87 N -1.34 1.94 0.00 4.60 0.00 -1.26 -5.13 105.19 103.99 1wic n GLY 87 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wic n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wic n LEU 88 N -1.27 0.00 -4.27 0.99 4.77 -1.16 -5.10 117.00 110.96 1wic n LEU 88 Ca -0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 1wic n LEU 88 Cb 0.86 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.85 1wic n LEU 88 CO -0.10 -0.22 -0.26 0.28 -1.33 0.00 0.00 177.39 175.75 1wic s THR 89 N -0.04 0.44 -0.39 -5.08 -1.32 -1.26 -4.87 115.64 103.12 1wic s THR 89 Ca 0.00 -1.99 0.02 0.00 -1.21 0.00 0.00 61.69 58.51 1wic s THR 89 Cb 0.00 -2.50 0.16 0.00 -1.51 0.00 0.00 72.50 68.64 1wic s THR 89 CO 0.00 -0.09 0.28 0.54 -2.21 0.00 0.00 174.62 173.14 1wic s VAL 90 N -3.84 0.29 0.00 5.08 0.11 -1.26 -4.94 120.40 115.84 1wic s VAL 90 Ca 0.35 -2.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.15 1wic s VAL 90 Cb 0.07 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1wic s VAL 90 CO 0.11 -1.13 0.00 -0.24 -3.33 0.00 0.00 175.10 170.52 1wic n SER 91 N 3.36 0.00 -2.06 3.54 2.88 -1.26 -4.88 113.62 115.19 1wic n SER 91 Ca 0.22 -0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.36 1wic n SER 91 Cb 0.43 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.12 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wic n ALA 92 N -3.00 4.97 -0.04 -1.46 0.00 -1.26 -4.00 120.51 115.72 1wic n ALA 92 Ca 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 53.44 50.96 1wic n ALA 92 Cb 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 1wic n ALA 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wic n GLN 93 N -0.58 1.55 -2.98 0.00 6.02 -1.26 -4.95 117.38 115.17 1wic n GLN 93 Ca 0.48 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 57.02 1wic n GLN 93 Cb 1.48 -1.29 -0.04 0.00 1.02 0.00 0.00 30.24 31.40 1wic n GLN 93 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1wic s ASP 94 N -4.08 7.01 -0.02 1.08 2.15 -1.26 -5.05 116.67 116.50 1wic s ASP 94 Ca -0.05 1.22 0.04 0.00 0.43 0.00 0.00 52.55 54.19 1wic s ASP 94 Cb 0.05 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1wic s ASP 94 CO 0.48 -0.19 -0.13 -0.60 -0.17 0.00 0.00 175.17 174.56 1wic s ARG 95 N 1.14 2.43 0.17 4.34 6.06 -1.26 -4.45 118.95 127.38 1wic s ARG 95 Ca 0.39 -0.76 0.06 0.00 -2.50 0.00 0.00 55.73 52.92 1wic s ARG 95 Cb -0.18 -2.37 -0.04 0.00 0.06 0.00 0.00 34.95 32.42 1wic s ARG 95 CO 0.18 0.60 0.07 -0.06 -2.50 0.00 0.00 175.30 173.59 1wic s PHE 96 N -0.84 3.00 0.01 5.12 0.08 -0.59 -2.65 117.98 122.11 1wic s PHE 96 Ca 0.13 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1wic s PHE 96 Cb -0.11 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1wic s PHE 96 CO 0.03 0.52 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.46 1wic s LEU 97 N -3.02 2.13 -0.03 -0.37 1.98 0.51 -0.30 118.68 119.58 1wic s LEU 97 Ca 0.29 -0.28 0.01 0.00 -2.89 0.00 0.00 54.13 51.26 1wic s LEU 97 Cb -0.10 -0.07 0.02 0.00 0.66 0.00 0.00 46.19 46.70 1wic s LEU 97 CO 0.21 -0.11 -0.02 -0.63 -1.89 0.00 0.00 176.35 173.91 1wic s ILE 98 N -0.74 0.29 0.13 6.68 1.01 0.45 0.42 121.20 129.45 1wic s ILE 98 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1wic s ILE 98 Cb -0.05 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1wic s ILE 98 CO -0.00 0.15 -0.01 -0.04 0.00 0.00 0.00 174.94 175.04 1wic s MET 99 N 0.76 2.45 -0.29 2.79 -1.94 0.55 0.73 119.30 124.35 1wic s MET 99 Ca -0.08 -0.98 -0.07 0.00 -1.71 0.00 0.00 55.69 52.85 1wic s MET 99 Cb -0.12 -2.44 0.15 0.00 2.01 0.00 0.00 34.83 34.43 1wic s MET 99 CO -0.01 0.50 0.62 0.00 -0.01 0.00 0.00 175.02 176.12 1wic s ALA 100 N -1.50 -2.05 -0.04 3.03 0.00 -0.50 -0.67 121.76 120.04 1wic s ALA 100 Ca 0.26 2.14 0.04 0.00 0.00 0.00 0.00 51.96 54.40 1wic s ALA 100 Cb -0.11 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 1wic s ALA 100 CO 0.18 -1.04 -0.15 0.00 0.00 0.00 0.00 175.76 174.75 1wic s ALA 101 N 2.87 1.37 -0.16 0.00 0.00 0.55 0.20 121.76 126.60 1wic s ALA 101 Ca 0.02 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1wic s ALA 101 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1wic s ALA 101 CO -0.19 0.26 1.59 -2.00 0.00 0.00 0.00 175.76 175.41 1wic s GLU 102 N 0.02 3.98 0.51 0.00 2.12 -1.26 -0.76 118.70 123.30 1wic s GLU 102 Ca -0.02 1.84 0.06 0.00 0.36 0.00 0.00 54.97 57.21 1wic s GLU 102 Cb -0.10 -3.98 0.04 0.00 0.26 0.00 0.00 34.13 30.34 1wic s GLU 102 CO 0.01 -1.07 0.70 -1.64 -0.54 0.00 0.00 175.26 172.72 1wic s MET 103 N 4.31 2.56 0.00 4.30 -1.94 0.53 -4.91 119.30 124.15 1wic s MET 103 Ca 0.70 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1wic s MET 103 Cb -0.27 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1wic s MET 103 CO 0.27 -0.59 0.00 0.39 -0.01 0.00 0.00 175.02 175.09 1wic n GLU 104 N -2.12 3.10 -0.06 2.03 1.02 -1.26 -3.88 120.64 119.47 1wic n GLU 104 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1wic n GLU 104 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.97 1wic n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wic n GLN 105 N 0.00 0.26 -3.16 3.49 10.64 -1.26 -2.66 117.38 124.70 1wic n GLN 105 Ca 0.00 0.08 -0.40 0.00 -1.83 0.00 0.00 57.00 54.85 1wic n GLN 105 Cb 0.00 -1.09 -0.07 0.00 -0.86 0.00 0.00 30.24 28.22 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wic s SER 106 N -5.48 6.54 -0.29 2.61 0.01 -1.26 -4.81 113.70 111.03 1wic s SER 106 Ca -0.15 0.66 -0.22 0.00 1.31 0.00 0.00 55.95 57.55 1wic s SER 106 Cb 0.05 -2.32 0.15 0.00 0.21 0.00 0.00 66.02 64.11 1wic s SER 106 CO 0.23 -0.32 1.14 -0.94 0.41 0.00 0.00 173.24 173.77 1wic s SER 107 N 1.44 -0.33 0.00 2.44 1.04 -1.26 -5.02 113.70 112.02 1wic s SER 107 Ca 0.25 0.59 0.28 0.00 0.48 0.00 0.00 55.95 57.54 1wic s SER 107 Cb -0.16 0.77 1.01 0.00 0.10 0.00 0.00 66.02 67.74 1wic s SER 107 CO 0.09 -0.10 1.73 0.61 0.98 0.00 0.00 173.24 176.55 1wic n GLY 108 N 2.47 -0.90 2.61 7.32 0.00 -1.26 -4.90 105.19 110.53 1wic n GLY 108 Ca -0.14 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1wic n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wic n THR 109 N -0.94 -0.36 -0.99 2.61 -2.24 -1.26 -4.91 114.28 106.19 1wic n THR 109 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1wic n THR 109 Cb 0.31 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1wic n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wic n GLY 110 N -0.72 -0.62 0.25 3.38 0.00 -1.26 -4.45 105.19 101.78 1wic n GLY 110 Ca -0.06 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.38 1wic n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic h PRO 111 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.87 132.00 128.95 1wic h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wic h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wic h PRO 111 CO 0.00 0.01 -0.39 0.00 -0.23 0.00 0.00 178.00 177.39 1wic n ALA 112 N -2.10 0.34 -0.33 -0.56 0.00 -1.26 -3.78 120.51 112.82 1wic n ALA 112 Ca 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1wic n ALA 112 Cb 0.42 0.01 0.15 0.00 0.00 0.00 0.00 19.45 20.03 1wic n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 113 N -3.61 -0.08 0.00 0.00 -0.58 -1.26 -0.51 120.64 114.60 1wic n GLU 113 Ca -0.05 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.12 1wic n GLU 113 Cb 0.20 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1wic n GLU 113 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wic n LEU 114 N -5.48 0.00 -0.31 -4.62 7.99 -1.08 -0.69 117.00 112.80 1wic n LEU 114 Ca 0.16 0.98 0.21 0.00 -0.01 0.00 0.00 56.01 57.34 1wic n LEU 114 Cb 0.49 -0.48 0.39 0.00 -0.11 0.00 0.00 43.42 43.71 1wic n LEU 114 CO -0.11 -0.48 0.85 -0.24 -1.51 0.00 0.00 177.39 175.90 1wic n SER 115 N -2.26 0.07 0.30 -1.43 2.88 -0.08 0.67 113.62 113.76 1wic n SER 115 Ca 0.00 1.58 -0.15 0.00 -1.33 0.00 0.00 58.87 58.97 1wic n SER 115 Cb 0.00 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 62.73 1wic n SER 115 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1wic h GLN 116 N 0.00 -0.85 -0.84 -1.46 1.08 -0.04 0.38 115.11 113.38 1wic h GLN 116 Ca 0.66 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 58.01 1wic h GLN 116 Cb 1.56 0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 29.12 1wic h GLN 116 CO -0.82 -0.57 0.55 0.35 -0.95 0.00 0.00 178.83 177.39 1wic h PHE 117 N -0.88 0.89 0.00 2.96 3.57 0.19 0.86 116.94 124.54 1wic h PHE 117 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wic h PHE 117 Cb 0.72 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1wic h PHE 117 CO -0.11 0.43 0.00 0.91 -2.23 0.00 0.00 178.31 177.31 1wic n TRP 118 N -4.51 0.41 0.01 0.41 7.02 0.21 0.22 117.44 121.22 1wic n TRP 118 Ca 0.14 0.15 0.04 0.00 -1.02 0.00 0.00 57.50 56.81 1wic n TRP 118 Cb 0.28 -0.75 -0.11 0.00 -2.42 0.00 0.00 31.31 28.31 1wic n TRP 118 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1wic n LYS 119 N -1.87 0.64 -0.12 -0.99 0.00 0.27 -4.41 118.16 111.69 1wic n LYS 119 Ca 0.04 0.02 -0.22 0.00 0.00 0.00 0.00 58.31 58.15 1wic n LYS 119 Cb 0.24 -1.66 -0.12 0.00 0.00 0.00 0.00 35.03 33.49 1wic n LYS 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wic n GLU 120 N -2.62 0.64 -2.15 1.64 1.02 0.35 -4.91 120.64 114.61 1wic n GLU 120 Ca -0.10 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1wic n GLU 120 Cb 0.76 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wic s VAL 121 N -2.51 3.60 0.84 2.62 0.11 0.59 -5.00 120.40 120.65 1wic s VAL 121 Ca -0.35 0.96 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 1wic s VAL 121 Cb 0.10 -3.62 0.09 0.00 -1.53 0.00 0.00 36.38 31.43 1wic s VAL 121 CO 0.59 -0.02 1.11 -2.16 -3.33 0.00 0.00 175.10 171.29 1wic s PRO 122 N 2.72 1.76 0.00 1.54 0.04 -1.26 -4.74 135.00 135.05 1wic s PRO 122 Ca 0.66 0.52 0.30 0.00 0.04 0.00 0.00 61.00 62.53 1wic s PRO 122 Cb -0.33 -1.89 1.76 0.00 0.04 0.00 0.00 34.50 34.09 1wic s PRO 122 CO 0.27 -1.82 2.13 2.89 0.04 0.00 0.00 177.00 180.52 1wic n ARG 123 N -3.55 0.85 0.00 4.56 -4.01 -1.26 -2.32 116.66 110.93 1wic n ARG 123 Ca 0.07 0.00 0.10 0.00 -1.04 0.00 0.00 57.85 56.98 1wic n ARG 123 Cb 0.57 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.51 1wic n ARG 123 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1wic n ASN 124 N -1.06 2.07 -0.04 2.89 6.94 -1.26 -4.26 115.26 120.54 1wic n ASN 124 Ca 0.21 -1.54 -0.03 0.00 -0.02 0.00 0.00 54.58 53.20 1wic n ASN 124 Cb 0.13 0.35 -0.09 0.00 -2.36 0.00 0.00 39.78 37.81 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1wic n LYS 125 N 0.26 1.88 -3.35 -3.83 4.76 -0.98 -4.97 118.16 111.92 1wic n LYS 125 Ca 0.09 -0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 55.12 1wic n LYS 125 Cb 0.44 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.29 1wic n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wic s VAL 126 N -2.37 4.84 0.54 -0.18 0.11 -1.02 -4.58 120.40 117.74 1wic s VAL 126 Ca -0.05 1.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.92 1wic s VAL 126 Cb 0.04 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.99 1wic s VAL 126 CO 0.45 0.55 1.00 -0.32 -3.33 0.00 0.00 175.10 173.45 1wic s MET 127 N -1.15 3.85 -0.07 1.54 1.75 0.54 -4.82 119.30 120.95 1wic s MET 127 Ca 0.28 0.93 -0.01 0.00 -1.25 0.00 0.00 55.69 55.64 1wic s MET 127 Cb -0.18 -2.12 0.03 0.00 2.84 0.00 0.00 34.83 35.39 1wic s MET 127 CO 0.17 -0.35 -0.01 -1.21 -0.65 0.00 0.00 175.02 172.97 1wic s GLU 128 N -4.28 0.67 -0.13 4.11 2.02 -1.26 -1.41 118.70 118.42 1wic s GLU 128 Ca 0.58 0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.66 1wic s GLU 128 Cb -0.10 -0.97 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1wic s GLU 128 CO 0.36 -0.27 -0.18 -1.58 0.02 0.00 0.00 175.26 173.61 1wic s HIS 129 N 1.81 2.30 -0.26 1.61 2.46 0.22 -4.93 115.29 118.51 1wic s HIS 129 Ca 0.03 -1.15 -0.10 0.00 0.47 0.00 0.00 55.06 54.30 1wic s HIS 129 Cb -0.13 -1.62 -0.05 0.00 -0.13 0.00 0.00 32.58 30.66 1wic s HIS 129 CO -0.05 -0.57 0.15 1.03 -2.47 0.00 0.00 174.74 172.84 1wic s ARG 130 N 0.98 3.92 0.11 2.88 3.00 -1.26 0.17 118.95 128.75 1wic s ARG 130 Ca -0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 55.73 55.22 1wic s ARG 130 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 34.95 31.20 1wic s ARG 130 CO -0.03 -0.11 0.46 -0.51 0.00 0.00 0.00 175.30 175.12 1wic s LEU 131 N 1.50 4.34 0.12 2.53 2.01 0.58 -4.75 118.68 125.02 1wic s LEU 131 Ca 0.07 0.91 0.09 0.00 0.01 0.00 0.00 54.13 55.21 1wic s LEU 131 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 46.19 42.90 1wic s LEU 131 CO 0.08 0.14 -0.20 0.00 1.01 0.00 0.00 176.35 177.37 1wic s ARG 132 N -1.95 1.70 -0.04 1.70 1.70 -1.26 -1.55 118.95 119.25 1wic s ARG 132 Ca 0.35 -1.23 -0.21 0.00 -0.47 0.00 0.00 55.73 54.17 1wic s ARG 132 Cb -0.14 -2.06 -0.05 0.00 -0.57 0.00 0.00 34.95 32.13 1wic s ARG 132 CO 0.19 0.47 0.62 0.00 -1.08 0.00 0.00 175.30 175.49 1wic s HIS 134 N 0.25 3.85 0.00 0.00 2.46 0.60 -4.79 115.29 117.65 1wic s HIS 134 Ca 0.33 -2.26 0.00 0.00 0.47 0.00 0.00 55.06 53.60 1wic s HIS 134 Cb -0.18 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1wic s HIS 134 CO 0.17 -1.13 0.00 0.25 -2.47 0.00 0.00 174.74 171.56 1wic n THR 135 N 3.76 0.00 -3.91 0.89 -2.24 -1.26 -4.83 114.28 106.69 1wic n THR 135 Ca 0.25 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.80 1wic n THR 135 Cb 0.43 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1wic n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wic s VAL 136 N -0.25 2.79 0.58 2.28 0.11 -1.26 -5.05 120.40 119.59 1wic s VAL 136 Ca 0.00 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.52 1wic s VAL 136 Cb 0.00 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1wic s VAL 136 CO 0.00 -0.08 0.81 -1.61 -3.33 0.00 0.00 175.10 170.89 1wic s GLU 137 N -3.97 2.36 0.32 1.54 8.01 -1.26 -4.88 118.70 120.82 1wic s GLU 137 Ca 0.42 -0.96 -0.05 0.00 0.01 0.00 0.00 54.97 54.39 1wic s GLU 137 Cb -0.01 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 27.32 1wic s GLU 137 CO 0.25 -0.85 0.47 0.45 0.01 0.00 0.00 175.26 175.59 1wic s SER 138 N -4.51 0.68 0.29 -0.19 0.15 -1.26 -5.19 113.70 103.68 1wic s SER 138 Ca 0.59 -1.38 0.03 0.00 0.70 0.00 0.00 55.95 55.89 1wic s SER 138 Cb -0.09 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1wic s SER 138 CO 0.39 -1.26 0.15 -0.44 1.20 0.00 0.00 173.24 173.28 1wic s SER 139 N -3.19 1.39 0.05 5.45 0.01 -1.26 -5.17 113.70 110.97 1wic s SER 139 Ca 0.29 -1.53 0.02 0.00 1.31 0.00 0.00 55.95 56.05 1wic s SER 139 Cb -0.00 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1wic s SER 139 CO 0.18 -0.87 -0.08 -1.59 0.41 0.00 0.00 173.24 171.29 1wic s LYS 140 N -3.86 0.58 0.15 12.44 -2.85 -1.26 -5.13 119.74 119.80 1wic s LYS 140 Ca 0.36 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 1wic s LYS 140 Cb 0.05 -0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.44 1wic s LYS 140 CO 0.17 0.05 1.13 -1.25 0.10 0.00 0.00 175.35 175.55 1wic s PRO 141 N -1.84 4.54 0.40 1.78 0.04 -1.26 -4.82 135.00 133.84 1wic s PRO 141 Ca -0.07 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1wic s PRO 141 Cb -0.08 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1wic s PRO 141 CO -0.00 -0.02 0.00 -1.71 0.04 0.00 0.00 177.00 175.31 1wic n ASN 142 N 2.75 -6.86 -3.71 6.66 5.15 -1.26 -4.99 115.26 113.01 1wic n ASN 142 Ca 0.04 0.86 -0.14 0.00 -0.60 0.00 0.00 54.58 54.75 1wic n ASN 142 Cb 0.46 -4.09 -0.09 0.00 -0.53 0.00 0.00 39.78 35.54 1wic n ASN 142 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wic s SER 143 N -6.39 -0.42 0.28 1.20 0.15 -1.26 -5.03 113.70 102.22 1wic s SER 143 Ca 0.00 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.35 1wic s SER 143 Cb 0.00 0.73 0.63 0.00 -1.71 0.00 0.00 66.02 65.67 1wic s SER 143 CO 0.00 -0.28 1.75 0.17 1.20 0.00 0.00 173.24 176.09 1wic h LEU 144 N 4.78 0.57 -9.08 3.45 8.10 -1.94 -3.40 115.31 117.78 1wic h LEU 144 Ca -0.28 0.10 -0.68 0.00 0.11 0.00 0.00 57.88 57.13 1wic h LEU 144 Cb 1.17 0.02 -0.19 0.00 -0.44 0.00 0.00 40.66 41.22 1wic h LEU 144 CO 0.28 0.20 -0.73 0.00 -4.11 0.00 0.00 178.44 174.08 1wic s MET 145 N -5.92 2.54 -0.62 0.17 0.23 -1.26 -5.03 119.30 109.42 1wic s MET 145 Ca -0.12 -0.70 -0.28 0.00 -1.03 0.00 0.00 55.69 53.57 1wic s MET 145 Cb 0.23 -2.46 -0.11 0.00 -1.53 0.00 0.00 34.83 30.96 1wic s MET 145 CO 0.79 0.62 2.48 1.28 -2.03 0.00 0.00 175.02 178.15 1wic n LEU 146 N 1.90 1.78 -3.61 0.18 4.77 -1.26 -4.78 117.00 115.97 1wic n LEU 146 Ca -0.17 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.52 1wic n LEU 146 Cb 0.53 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 1wic n LEU 146 CO 0.28 -1.29 1.10 -0.94 -1.33 0.00 0.00 177.39 175.21 1wic s SER 147 N 11.07 -0.07 0.00 -1.43 1.04 -1.26 -5.15 113.70 117.90 1wic s SER 147 Ca 1.09 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1wic s SER 147 Cb -0.50 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1wic s SER 147 CO 0.34 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1wic n GLY 148 N -0.12 0.55 3.79 7.32 0.00 -1.26 -4.68 105.19 110.79 1wic n GLY 148 Ca 0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1wic n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wic s PRO 149 N -3.18 1.26 0.31 1.61 0.04 -1.26 -5.08 135.00 128.69 1wic s PRO 149 Ca 0.00 0.33 0.10 0.00 0.04 0.00 0.00 61.00 61.47 1wic s PRO 149 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wic s PRO 149 CO 0.00 -2.12 -0.03 -1.54 0.04 0.00 0.00 177.00 173.35 1wic s SER 150 N -4.02 4.20 0.09 6.66 1.04 -1.26 -5.10 113.70 115.31 1wic s SER 150 Ca 0.63 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 55.90 1wic s SER 150 Cb -0.15 -0.59 0.08 0.00 0.10 0.00 0.00 66.02 65.47 1wic s SER 150 CO 0.53 -0.12 1.01 -0.94 0.98 0.00 0.00 173.24 174.71 1wic s SER 151 N -3.67 -0.18 0.00 7.02 1.04 -1.26 -5.31 113.70 111.33 1wic s SER 151 Ca 0.33 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1wic s SER 151 Cb -0.03 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1wic s SER 151 CO 0.19 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.29