#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 6.59 0.92 1.61 0.01 -1.26 -5.05 113.70 116.52 1wic s SER 2 Ca 0.00 -2.40 -0.12 0.00 1.31 0.00 0.00 55.95 54.74 1wic s SER 2 Cb 0.00 -2.22 0.14 0.00 0.21 0.00 0.00 66.02 64.15 1wic s SER 2 CO 0.00 -0.68 1.12 -0.55 0.41 0.00 0.00 173.24 173.54 1wic s SER 3 N 2.63 3.44 0.00 2.44 0.15 -1.26 -4.81 113.70 116.30 1wic s SER 3 Ca 0.14 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1wic s SER 3 Cb -0.15 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1wic s SER 3 CO -0.05 -2.60 0.00 0.61 1.20 0.00 0.00 173.24 172.39 1wic n GLY 4 N -1.97 0.79 3.58 9.45 0.00 -1.26 -5.14 105.19 110.65 1wic n GLY 4 Ca 0.06 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1wic n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wic s SER 5 N -1.58 -0.85 0.64 1.61 0.15 -1.26 -5.04 113.70 107.36 1wic s SER 5 Ca 0.00 1.41 -0.17 0.00 0.70 0.00 0.00 55.95 57.89 1wic s SER 5 Cb 0.00 1.31 -0.10 0.00 -1.71 0.00 0.00 66.02 65.52 1wic s SER 5 CO 0.00 -0.23 0.18 -1.54 1.20 0.00 0.00 173.24 172.85 1wic n SER 6 N 4.03 -2.43 0.00 5.45 3.41 -1.26 -4.33 113.62 118.48 1wic n SER 6 Ca -0.19 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1wic n SER 6 Cb 0.58 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wic n GLY 7 N 2.14 0.35 3.28 5.00 0.00 -1.26 -4.40 105.19 110.30 1wic n GLY 7 Ca 0.09 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1wic n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wic s LYS 8 N 0.00 2.83 0.51 1.61 1.02 -1.26 -4.97 119.74 119.48 1wic s LYS 8 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1wic s LYS 8 Cb 0.00 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.14 1wic s LYS 8 CO 0.00 -1.27 0.00 1.63 -0.92 0.00 0.00 175.35 174.79 1wic n LYS 9 N 5.14 -2.93 -2.21 1.68 4.01 -1.26 -4.83 118.16 117.77 1wic n LYS 9 Ca -0.12 2.32 -0.33 0.00 -0.51 0.00 0.00 58.31 59.67 1wic n LYS 9 Cb 0.40 -3.52 -0.01 0.00 -0.51 0.00 0.00 35.03 31.40 1wic n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wic s PRO 10 N -3.94 3.50 -0.82 1.97 0.04 -1.26 -4.88 135.00 129.61 1wic s PRO 10 Ca 0.00 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1wic s PRO 10 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1wic s PRO 10 CO 0.00 -0.66 1.95 -1.17 0.04 0.00 0.00 177.00 177.16 1wic s LEU 11 N -4.20 3.19 -0.12 -3.56 2.96 -1.26 -4.93 118.68 110.76 1wic s LEU 11 Ca 0.64 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 1wic s LEU 11 Cb -0.16 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1wic s LEU 11 CO 0.32 -2.70 0.49 -0.44 -1.32 0.00 0.00 176.35 172.69 1wic s SER 12 N 8.24 6.69 0.00 3.68 0.01 -1.26 -5.05 113.70 126.01 1wic s SER 12 Ca 0.71 0.83 0.07 0.00 1.31 0.00 0.00 55.95 58.87 1wic s SER 12 Cb -0.09 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1wic s SER 12 CO 0.05 -0.01 -0.22 0.68 0.41 0.00 0.00 173.24 174.15 1wic s VAL 13 N 0.65 1.78 -0.86 3.43 -7.23 -1.26 -0.94 120.40 115.97 1wic s VAL 13 Ca 0.26 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 1wic s VAL 13 Cb -0.15 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.33 1wic s VAL 13 CO 0.11 0.43 1.34 0.12 -0.31 0.00 0.00 175.10 176.79 1wic s PHE 14 N -0.60 2.40 -0.71 2.82 5.36 -0.04 -4.85 117.98 122.36 1wic s PHE 14 Ca 0.09 -0.40 -0.26 0.00 -0.96 0.00 0.00 56.93 55.40 1wic s PHE 14 Cb -0.09 -4.65 -0.14 0.00 -0.34 0.00 0.00 43.02 37.80 1wic s PHE 14 CO -0.00 -2.01 2.48 1.63 -1.46 0.00 0.00 175.22 175.86 1wic n LYS 15 N 9.12 0.62 -2.82 10.12 4.01 -1.26 -3.00 118.16 134.94 1wic n LYS 15 Ca 0.15 -0.11 -0.29 0.00 -0.51 0.00 0.00 58.31 57.56 1wic n LYS 15 Cb 0.50 -2.78 -0.02 0.00 -0.51 0.00 0.00 35.03 32.22 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 10.38 1.71 0.44 0.72 0.00 -1.26 -4.98 107.32 114.33 1wic s GLY 16 Ca 1.10 -0.41 0.28 0.00 0.00 0.00 0.00 44.72 45.69 1wic s GLY 16 CO 0.32 -0.24 1.79 -0.56 0.00 0.00 0.00 173.10 174.41 1wic h PRO 17 N 0.81 0.00 0.00 2.90 0.13 -2.00 -3.42 132.00 130.42 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 -2.92 0.00 -4.54 1.56 4.77 -1.26 -4.73 117.00 109.88 1wic n LEU 18 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.40 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1wic n LEU 18 CO 0.29 -0.18 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.61 1wic s LEU 19 N -3.08 3.32 0.60 2.23 1.98 -1.26 -2.60 118.68 119.87 1wic s LEU 19 Ca 0.00 -0.06 -0.13 0.00 -2.89 0.00 0.00 54.13 51.04 1wic s LEU 19 Cb 0.00 -1.78 -0.04 0.00 0.66 0.00 0.00 46.19 45.02 1wic s LEU 19 CO 0.00 0.23 1.02 -1.00 -1.89 0.00 0.00 176.35 174.71 1wic s HIS 20 N 0.03 3.41 0.05 5.38 3.76 -0.16 -4.19 115.29 123.57 1wic s HIS 20 Ca 0.01 1.39 0.07 0.00 -0.15 0.00 0.00 55.06 56.38 1wic s HIS 20 Cb -0.13 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 1wic s HIS 20 CO 0.03 -0.74 -0.19 0.42 -0.85 0.00 0.00 174.74 173.40 1wic s ILE 21 N -2.90 1.57 -0.26 0.60 -1.09 -1.16 -3.04 121.20 114.91 1wic s ILE 21 Ca 0.58 -1.23 -0.13 0.00 -2.23 0.00 0.00 60.65 57.63 1wic s ILE 21 Cb -0.12 -1.39 0.09 0.00 -1.58 0.00 0.00 42.46 39.46 1wic s ILE 21 CO 0.45 0.11 0.62 -0.55 -1.23 0.00 0.00 174.94 174.34 1wic s SER 22 N -1.32 -0.87 1.03 3.58 0.15 -0.03 -0.86 113.70 115.38 1wic s SER 22 Ca 0.06 1.39 -0.05 0.00 0.70 0.00 0.00 55.95 58.05 1wic s SER 22 Cb -0.09 1.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.76 1wic s SER 22 CO 0.02 -0.23 0.35 -0.81 1.20 0.00 0.00 173.24 173.77 1wic n PRO 23 N 4.60 -0.98 0.00 5.44 -0.04 -1.26 -0.37 135.00 142.39 1wic n PRO 23 Ca -0.18 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1wic n PRO 23 Cb 0.56 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 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 -3.39 0.00 -2.70 0.55 0.00 -0.12 -4.64 120.51 110.22 1wic n ALA 24 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1wic n ALA 24 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1wic n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wic n GLU 25 N 0.00 3.08 -3.15 0.00 0.00 -1.26 -4.67 120.64 114.64 1wic n GLU 25 Ca 0.00 -4.50 0.04 0.00 0.00 0.00 0.00 57.16 52.70 1wic n GLU 25 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 31.44 29.29 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1wic s GLU 26 N -3.43 0.46 -0.10 3.44 -1.05 -1.25 -4.52 118.70 112.24 1wic s GLU 26 Ca 0.47 0.57 -0.10 0.00 -0.15 0.00 0.00 54.97 55.75 1wic s GLU 26 Cb 0.36 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 34.29 1wic s GLU 26 CO -0.15 -0.74 0.23 -0.51 0.95 0.00 0.00 175.26 175.05 1wic s LEU 27 N 2.87 4.37 -0.41 1.83 1.43 0.55 -4.66 118.68 124.66 1wic s LEU 27 Ca 0.15 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1wic s LEU 27 Cb -0.10 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 43.99 1wic s LEU 27 CO -0.23 0.32 0.21 -0.31 0.23 0.00 0.00 176.35 176.56 1wic s TYR 28 N -0.67 1.96 -0.88 0.29 2.02 -1.26 -0.78 117.35 118.03 1wic s TYR 28 Ca 0.17 -2.31 -0.25 0.00 -0.37 0.00 0.00 57.07 54.31 1wic s TYR 28 Cb -0.13 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1wic s TYR 28 CO 0.06 -0.81 1.88 -0.06 -1.57 0.00 0.00 175.55 175.06 1wic s PHE 29 N 0.61 1.86 0.00 2.71 0.40 -1.26 -4.74 117.98 117.55 1wic s PHE 29 Ca 0.16 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1wic s PHE 29 Cb -0.23 -4.12 0.00 0.00 0.51 0.00 0.00 43.02 39.18 1wic s PHE 29 CO -0.04 -1.83 0.00 0.41 0.70 0.00 0.00 175.22 174.46 1wic n GLY 30 N 6.72 0.79 3.89 4.36 0.00 -1.26 -4.69 105.19 115.01 1wic n GLY 30 Ca 0.37 0.50 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 1wic n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wic s SER 31 N 0.00 5.61 0.09 1.61 0.15 -1.26 -4.94 113.70 114.96 1wic s SER 31 Ca 0.00 -0.31 -0.23 0.00 0.70 0.00 0.00 55.95 56.11 1wic s SER 31 Cb 0.00 -1.21 -0.08 0.00 -1.71 0.00 0.00 66.02 63.02 1wic s SER 31 CO 0.00 -0.28 1.38 0.40 1.20 0.00 0.00 173.24 175.94 1wic h ILE 32 N 1.20 0.00 -2.90 6.45 2.04 -1.99 -3.41 117.51 118.89 1wic h ILE 32 Ca -0.46 0.00 -0.48 0.00 1.00 0.00 0.00 64.86 64.91 1wic h ILE 32 Cb 1.25 0.00 0.22 0.00 -0.74 0.00 0.00 36.82 37.55 1wic h ILE 32 CO 0.58 0.00 -0.71 -0.62 0.00 0.00 0.00 178.15 177.40 1wic n GLU 33 N -4.57 -1.22 -0.96 2.37 1.02 -1.26 -4.86 120.64 111.15 1wic n GLU 33 Ca -0.02 -0.33 -0.19 0.00 -0.02 0.00 0.00 57.16 56.60 1wic n GLU 33 Cb 0.23 -1.85 0.13 0.00 -0.02 0.00 0.00 31.44 29.94 1wic n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wic n SER 34 N -2.13 3.82 -0.12 1.62 7.64 -1.26 -4.87 113.62 118.33 1wic n SER 34 Ca 0.04 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1wic n SER 34 Cb 0.58 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.75 1.79 3.22 0.23 0.00 -1.26 -5.05 105.19 103.37 1wic n GLY 35 Ca 0.46 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1wic n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wic n GLU 36 N 0.00 -0.37 -3.23 1.61 1.02 -1.26 -4.88 120.64 113.53 1wic n GLU 36 Ca 0.00 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.81 1wic n GLU 36 Cb 0.00 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wic n LYS 37 N -0.03 1.26 -4.17 3.49 5.02 -1.26 -4.12 118.16 118.34 1wic n LYS 37 Ca 0.02 -3.63 -0.31 0.00 -2.02 0.00 0.00 58.31 52.37 1wic n LYS 37 Cb 0.58 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1wic n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wic s LYS 38 N -1.73 2.67 0.04 1.97 -2.85 -1.26 -4.22 119.74 114.35 1wic s LYS 38 Ca 0.37 -0.74 -0.07 0.00 -1.00 0.00 0.00 55.97 54.53 1wic s LYS 38 Cb 0.19 -2.61 -0.05 0.00 -2.06 0.00 0.00 37.83 33.31 1wic s LYS 38 CO -0.09 0.57 0.31 -0.08 0.10 0.00 0.00 175.35 176.17 1wic s THR 39 N -1.24 5.24 -0.18 3.79 -1.32 -0.54 -4.31 115.64 117.07 1wic s THR 39 Ca 0.24 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1wic s THR 39 Cb -0.12 -3.59 0.02 0.00 -1.51 0.00 0.00 72.50 67.30 1wic s THR 39 CO 0.16 0.32 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.49 1wic s LEU 40 N -1.88 2.23 -0.15 9.08 2.96 -1.26 0.89 118.68 130.55 1wic s LEU 40 Ca 0.30 -0.62 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 1wic s LEU 40 Cb -0.13 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1wic s LEU 40 CO 0.18 0.00 0.52 -0.63 -1.32 0.00 0.00 176.35 175.10 1wic s ILE 41 N 1.29 5.14 -0.06 6.68 1.01 0.50 -4.63 121.20 131.13 1wic s ILE 41 Ca 0.05 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.70 1wic s ILE 41 Cb -0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1wic s ILE 41 CO -0.11 0.25 0.02 -0.69 0.00 0.00 0.00 174.94 174.41 1wic s VAL 42 N 1.08 4.38 -0.19 2.92 1.01 0.50 0.19 120.40 130.30 1wic s VAL 42 Ca 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1wic s VAL 42 Cb -0.15 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.39 1wic s VAL 42 CO 0.11 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.99 1wic s LEU 43 N -1.16 1.28 -0.46 3.92 1.43 0.13 -0.85 118.68 122.96 1wic s LEU 43 Ca 0.16 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1wic s LEU 43 Cb -0.11 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.51 1wic s LEU 43 CO 0.06 -0.29 0.45 -0.89 0.23 0.00 0.00 176.35 175.91 1wic s THR 44 N 1.82 5.11 -0.63 5.49 2.01 -1.17 -1.03 115.64 127.24 1wic s THR 44 Ca -0.01 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1wic s THR 44 Cb -0.17 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 1wic s THR 44 CO -0.08 -0.58 1.68 0.21 -0.69 0.00 0.00 174.62 175.17 1wic s ASN 45 N 2.36 5.57 0.10 3.53 2.47 -0.80 -0.99 114.94 127.17 1wic s ASN 45 Ca 0.09 0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.42 1wic s ASN 45 Cb -0.21 -2.54 -0.17 0.00 -1.45 0.00 0.00 41.25 36.88 1wic s ASN 45 CO 0.10 -2.18 1.25 -0.37 -3.72 0.00 0.00 177.10 172.18 1wic h VAL 46 N 6.64 1.31 -3.50 -5.21 -1.51 -1.81 -2.79 116.25 109.37 1wic h VAL 46 Ca -0.27 -2.22 -0.56 0.00 -1.23 0.00 0.00 66.70 62.42 1wic h VAL 46 Cb 1.13 2.29 0.18 0.00 -2.13 0.00 0.00 31.29 32.76 1wic h VAL 46 CO 1.23 0.69 -0.13 0.35 -1.23 0.00 0.00 177.57 178.47 1wic n THR 47 N -3.85 2.37 -0.19 7.19 -2.24 -1.20 -4.73 114.28 111.64 1wic n THR 47 Ca -0.09 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 1wic n THR 47 Cb 0.84 -0.93 0.20 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.30 2.89 -4.14 -0.78 4.76 -1.26 -4.07 118.16 114.26 1wic n LYS 48 Ca 0.12 -1.86 -0.10 0.00 -2.87 0.00 0.00 58.31 53.61 1wic n LYS 48 Cb 0.49 -1.89 -0.10 0.00 -1.84 0.00 0.00 35.03 31.70 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1wic s ASN 49 N -0.43 0.92 0.53 4.39 0.01 -1.26 -4.87 114.94 114.21 1wic s ASN 49 Ca 0.33 -0.98 -0.23 0.00 -0.71 0.00 0.00 52.86 51.27 1wic s ASN 49 Cb 0.26 0.13 -0.06 0.00 0.41 0.00 0.00 41.25 41.99 1wic s ASN 49 CO 0.09 -0.50 1.39 -0.38 -1.51 0.00 0.00 177.10 176.19 1wic n ILE 50 N 0.08 3.62 -3.73 0.60 5.41 -1.26 -4.12 119.36 119.95 1wic n ILE 50 Ca -0.13 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 62.89 1wic n ILE 50 Cb 0.61 -1.73 -0.18 0.00 -0.71 0.00 0.00 39.64 37.64 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 -1.26 0.24 -0.24 1.39 1.01 -1.17 0.65 120.40 121.01 1wic s VAL 51 Ca 0.69 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 1wic s VAL 51 Cb -0.42 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1wic s VAL 51 CO 0.51 0.17 0.68 0.00 0.00 0.00 0.00 175.10 176.46 1wic s ALA 52 N 2.02 3.61 0.22 5.51 0.00 -0.47 -0.83 121.76 131.82 1wic s ALA 52 Ca 0.04 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 51.77 1wic s ALA 52 Cb -0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1wic s ALA 52 CO -0.05 -0.79 -0.10 -0.59 0.00 0.00 0.00 175.76 174.23 1wic s PHE 53 N 2.48 2.57 -0.10 0.00 -0.12 0.48 -1.60 117.98 121.69 1wic s PHE 53 Ca 0.29 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 56.88 1wic s PHE 53 Cb -0.16 -1.20 0.05 0.00 -0.63 0.00 0.00 43.02 41.09 1wic s PHE 53 CO 0.09 0.57 0.20 0.15 -0.05 0.00 0.00 175.22 176.17 1wic s LYS 54 N -3.16 0.08 -0.28 1.99 1.02 -0.75 -2.45 119.74 116.19 1wic s LYS 54 Ca 0.27 0.61 -0.13 0.00 0.02 0.00 0.00 55.97 56.74 1wic s LYS 54 Cb -0.07 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1wic s LYS 54 CO 0.16 -0.32 0.29 0.08 -0.92 0.00 0.00 175.35 174.64 1wic s VAL 55 N 2.34 5.24 0.36 3.17 1.01 -1.26 0.30 120.40 131.55 1wic s VAL 55 Ca 0.03 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1wic s VAL 55 Cb -0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1wic s VAL 55 CO -0.07 0.18 0.07 -0.13 0.00 0.00 0.00 175.10 175.15 1wic s ARG 56 N 1.92 1.76 0.26 2.72 3.00 0.23 -4.70 118.95 124.15 1wic s ARG 56 Ca 0.11 -2.01 -0.14 0.00 0.00 0.00 0.00 55.73 53.69 1wic s ARG 56 Cb -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 34.95 33.88 1wic s ARG 56 CO 0.11 -0.25 0.54 -0.08 0.00 0.00 0.00 175.30 175.62 1wic s THR 57 N -3.21 0.00 -0.89 0.02 -1.32 -1.26 0.19 115.64 109.17 1wic s THR 57 Ca 0.32 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 1wic s THR 57 Cb 0.07 -2.21 0.29 0.00 -1.51 0.00 0.00 72.50 69.15 1wic s THR 57 CO 0.15 0.00 0.99 0.35 -2.21 0.00 0.00 174.62 173.89 1wic n THR 58 N -0.41 0.93 -2.70 5.08 -2.24 -0.09 -4.23 114.28 110.63 1wic n THR 58 Ca -0.02 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1wic n THR 58 Cb 0.61 -0.34 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.24 -2.91 0.60 6.98 0.00 -1.26 -4.89 120.51 119.26 1wic n ALA 59 Ca 0.10 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 53.08 1wic n ALA 59 Cb 0.55 -2.60 0.46 0.00 0.00 0.00 0.00 19.45 17.86 1wic n ALA 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wic n PRO 60 N 1.91 0.14 -0.50 0.00 -0.04 -1.26 -2.21 135.00 133.04 1wic n PRO 60 Ca 0.07 0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1wic n PRO 60 Cb 0.66 -1.71 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 1wic n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wic n GLU 61 N -1.97 3.16 0.00 0.54 0.28 -1.26 -4.13 120.64 117.26 1wic n GLU 61 Ca 0.04 -1.83 0.00 0.00 -0.16 0.00 0.00 57.16 55.21 1wic n GLU 61 Cb 0.30 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.29 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 0.42 0.00 -3.65 3.44 5.02 -1.05 -4.94 118.16 117.40 1wic n LYS 62 Ca 0.16 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1wic n LYS 62 Cb 0.76 -0.18 -0.12 0.00 -0.02 0.00 0.00 35.03 35.47 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 -1.81 3.17 -0.64 2.13 2.02 -0.94 0.19 117.35 121.47 1wic s TYR 63 Ca 0.00 -0.11 -0.28 0.00 -0.37 0.00 0.00 57.07 56.31 1wic s TYR 63 Cb 0.00 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1wic s TYR 63 CO 0.00 -0.25 1.30 0.50 -1.57 0.00 0.00 175.55 175.53 1wic s ARG 64 N 1.70 3.30 -0.24 -0.62 3.52 0.49 -4.63 118.95 122.47 1wic s ARG 64 Ca 0.07 0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 1wic s ARG 64 Cb -0.16 -4.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.06 1wic s ARG 64 CO 0.08 -1.97 0.16 0.08 -0.81 0.00 0.00 175.30 172.84 1wic s VAL 65 N 5.67 5.32 -0.28 7.11 1.01 -1.26 -2.48 120.40 135.49 1wic s VAL 65 Ca 0.43 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 1wic s VAL 65 Cb -0.09 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.91 1wic s VAL 65 CO 0.21 0.34 0.83 -0.75 0.00 0.00 0.00 175.10 175.72 1wic s LYS 66 N 1.14 0.62 0.14 2.72 2.20 -0.76 -3.49 119.74 122.30 1wic s LYS 66 Ca 0.07 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 1wic s LYS 66 Cb -0.14 0.20 -0.07 0.00 -1.51 0.00 0.00 37.83 36.31 1wic s LYS 66 CO 0.05 -0.11 1.13 -1.25 -0.36 0.00 0.00 175.35 174.82 1wic s PRO 67 N 1.05 4.53 -0.49 4.03 0.04 -1.26 0.17 135.00 143.07 1wic s PRO 67 Ca -0.05 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1wic s PRO 67 Cb -0.05 -3.30 0.43 0.00 0.04 0.00 0.00 34.50 31.62 1wic s PRO 67 CO -0.12 -0.05 1.49 -1.13 0.04 0.00 0.00 177.00 177.23 1wic n SER 68 N 2.91 5.89 0.00 6.66 3.41 -1.23 -4.54 113.62 126.71 1wic n SER 68 Ca 0.05 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1wic n SER 68 Cb 0.46 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1wic n SER 68 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wic n ASN 69 N -0.68 0.00 -0.50 4.04 0.23 -1.26 -4.49 115.26 112.60 1wic n ASN 69 Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 1wic n ASN 69 Cb 0.72 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1wic n SER 70 N 0.00 0.00 -4.03 0.53 2.88 -1.03 -5.00 113.62 106.98 1wic n SER 70 Ca 0.00 -0.50 -0.15 0.00 -1.33 0.00 0.00 58.87 56.89 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 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 71 N 0.29 0.74 -0.13 -3.46 0.01 -1.26 -0.38 113.70 109.50 1wic s SER 71 Ca 0.00 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 55.76 1wic s SER 71 Cb 0.00 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.66 1wic s SER 71 CO 0.00 -0.88 -0.01 0.00 0.41 0.00 0.00 173.24 172.76 1wic n ASP 73 N 5.04 -1.40 -4.74 0.00 9.92 -1.26 -3.06 116.55 121.04 1wic n ASP 73 Ca -0.09 0.22 -0.41 0.00 -0.53 0.00 0.00 54.79 53.98 1wic n ASP 73 Cb 0.49 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.68 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wic s PRO 74 N -3.99 4.59 0.00 -0.24 0.04 -1.26 -2.97 135.00 131.17 1wic s PRO 74 Ca 0.61 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1wic s PRO 74 Cb -0.21 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1wic s PRO 74 CO 0.64 0.08 0.00 0.41 0.04 0.00 0.00 177.00 178.18 1wic n GLY 75 N 1.90 0.46 3.14 0.56 0.00 -1.05 -4.97 105.19 105.24 1wic n GLY 75 Ca 0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic n ALA 76 N 0.79 0.55 -3.28 4.61 0.00 -1.16 -5.03 120.51 116.99 1wic n ALA 76 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 53.44 51.37 1wic n ALA 76 Cb 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 19.45 20.65 1wic n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wic s SER 77 N -3.35 -0.20 0.25 0.00 1.04 -1.26 -1.91 113.70 108.28 1wic s SER 77 Ca 0.20 0.40 0.07 0.00 0.48 0.00 0.00 55.95 57.10 1wic s SER 77 Cb 0.01 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1wic s SER 77 CO 0.14 -0.09 0.19 -0.51 0.98 0.00 0.00 173.24 173.94 1wic s ILE 78 N 0.45 4.40 -0.12 -1.02 2.07 -0.19 -4.90 121.20 121.89 1wic s ILE 78 Ca -0.03 -1.42 -0.01 0.00 -1.41 0.00 0.00 60.65 57.78 1wic s ILE 78 Cb -0.04 -3.37 0.03 0.00 0.13 0.00 0.00 42.46 39.20 1wic s ILE 78 CO -0.02 -0.35 -0.04 -1.81 -1.91 0.00 0.00 174.94 170.82 1wic s ASP 79 N -3.82 2.19 -0.27 4.50 1.01 -1.25 -0.69 116.67 118.34 1wic s ASP 79 Ca 0.33 -0.35 -0.08 0.00 0.71 0.00 0.00 52.55 53.16 1wic s ASP 79 Cb -0.08 -0.71 -0.02 0.00 1.01 0.00 0.00 42.92 43.12 1wic s ASP 79 CO 0.25 -0.17 0.10 -0.63 0.21 0.00 0.00 175.17 174.92 1wic s ILE 80 N 1.79 4.43 0.31 0.77 1.09 0.52 -4.27 121.20 125.83 1wic s ILE 80 Ca 0.04 -0.22 -0.22 0.00 -1.10 0.00 0.00 60.65 59.15 1wic s ILE 80 Cb -0.13 -3.12 -0.09 0.00 -1.06 0.00 0.00 42.46 38.05 1wic s ILE 80 CO -0.07 0.27 0.86 -0.63 -0.10 0.00 0.00 174.94 175.26 1wic s ILE 81 N 1.62 4.40 -0.30 2.92 1.09 0.13 0.19 121.20 131.24 1wic s ILE 81 Ca 0.06 1.51 -0.03 0.00 -1.10 0.00 0.00 60.65 61.09 1wic s ILE 81 Cb -0.16 -3.85 0.11 0.00 -1.06 0.00 0.00 42.46 37.50 1wic s ILE 81 CO 0.05 0.05 0.16 -0.69 -0.10 0.00 0.00 174.94 174.40 1wic s VAL 82 N -1.72 -0.06 -0.06 2.92 1.01 0.26 -1.83 120.40 120.91 1wic s VAL 82 Ca 0.50 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1wic s VAL 82 Cb -0.15 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1wic s VAL 82 CO 0.20 -0.75 -0.25 -0.94 0.00 0.00 0.00 175.10 173.36 1wic s SER 83 N 1.94 3.05 0.85 3.32 1.04 -1.03 -1.46 113.70 121.40 1wic s SER 83 Ca 0.11 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 1wic s SER 83 Cb -0.17 -0.88 0.10 0.00 0.10 0.00 0.00 66.02 65.17 1wic s SER 83 CO -0.30 0.24 1.11 -2.16 0.98 0.00 0.00 173.24 173.11 1wic s PRO 84 N -0.12 1.69 1.06 4.02 0.04 -1.26 0.18 135.00 140.61 1wic s PRO 84 Ca -0.05 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 1wic s PRO 84 Cb -0.14 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.60 1wic s PRO 84 CO 0.04 -1.86 0.15 0.72 0.04 0.00 0.00 177.00 176.09 1wic n HIS 85 N -3.57 -1.44 -2.06 0.56 8.25 0.50 -4.77 115.22 112.68 1wic n HIS 85 Ca 0.07 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 1wic n HIS 85 Cb 0.58 -1.64 -0.00 0.00 1.12 0.00 0.00 29.99 30.05 1wic n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wic n GLY 86 N 1.84 4.72 0.00 -1.41 0.00 -1.26 -4.00 105.19 105.08 1wic n GLY 86 Ca 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1wic n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wic n GLY 87 N 2.98 -1.33 0.00 -0.02 0.00 -1.26 -5.15 105.19 100.41 1wic n GLY 87 Ca 0.49 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1wic n GLY 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wic n LEU 88 N 0.00 0.00 -4.12 0.99 -0.00 -1.26 -5.10 117.00 107.51 1wic n LEU 88 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1wic n LEU 88 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1wic n LEU 88 CO 0.00 -0.76 -0.10 0.28 -0.00 0.00 0.00 177.39 176.81 1wic s THR 89 N -0.92 0.01 -0.09 1.47 -1.32 -1.26 -4.77 115.64 108.75 1wic s THR 89 Ca 0.00 -1.77 -0.23 0.00 -1.21 0.00 0.00 61.69 58.48 1wic s THR 89 Cb 0.00 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 1wic s THR 89 CO 0.00 -0.05 0.68 0.54 -2.21 0.00 0.00 174.62 173.59 1wic s VAL 90 N -4.10 5.04 0.32 5.08 0.11 -1.26 -5.02 120.40 120.57 1wic s VAL 90 Ca 0.32 1.39 0.02 0.00 -2.93 0.00 0.00 61.98 60.77 1wic s VAL 90 Cb 0.04 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 1wic s VAL 90 CO 0.10 0.22 0.08 -1.20 -3.33 0.00 0.00 175.10 170.97 1wic n SER 91 N 4.03 1.66 -2.08 3.54 7.64 -1.26 -5.03 113.62 122.13 1wic n SER 91 Ca -0.01 -2.58 -0.24 0.00 1.01 0.00 0.00 58.87 57.04 1wic n SER 91 Cb 0.51 0.62 0.08 0.00 -1.01 0.00 0.00 64.21 64.41 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wic n ALA 92 N -1.66 5.53 -0.05 -0.43 0.00 -1.26 -3.98 120.51 118.65 1wic n ALA 92 Ca -0.13 -2.52 -0.06 0.00 0.00 0.00 0.00 53.44 50.73 1wic n ALA 92 Cb 0.45 -1.52 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.46 1.80 -3.34 0.00 6.02 -1.26 -5.01 117.38 115.14 1wic n GLN 93 Ca 0.47 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 57.19 1wic n GLN 93 Cb 0.84 -1.24 -0.03 0.00 1.02 0.00 0.00 30.24 30.82 1wic n GLN 93 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wic s ASP 94 N -4.47 6.46 0.01 1.08 -4.77 -1.26 -5.09 116.67 108.64 1wic s ASP 94 Ca -0.08 0.74 0.05 0.00 -3.30 0.00 0.00 52.55 49.96 1wic s ASP 94 Cb 0.03 -2.15 -0.02 0.00 -1.09 0.00 0.00 42.92 39.69 1wic s ASP 94 CO 0.35 -0.19 -0.17 -0.60 0.70 0.00 0.00 175.17 175.27 1wic s ARG 95 N -3.48 1.26 0.15 2.11 6.06 -1.26 -4.63 118.95 119.15 1wic s ARG 95 Ca 0.44 -0.70 0.05 0.00 -2.50 0.00 0.00 55.73 53.02 1wic s ARG 95 Cb -0.11 -1.26 -0.04 0.00 0.06 0.00 0.00 34.95 33.60 1wic s ARG 95 CO 0.29 0.33 0.13 -0.06 -2.50 0.00 0.00 175.30 173.50 1wic s PHE 96 N -0.57 3.17 0.03 5.12 0.08 -1.00 -0.91 117.98 123.89 1wic s PHE 96 Ca 0.06 0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.14 1wic s PHE 96 Cb -0.07 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1wic s PHE 96 CO 0.00 0.52 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.39 1wic s LEU 97 N -2.97 2.15 -0.04 -0.37 1.98 0.50 -0.96 118.68 118.97 1wic s LEU 97 Ca 0.31 -0.38 -0.00 0.00 -2.89 0.00 0.00 54.13 51.17 1wic s LEU 97 Cb -0.10 -0.32 0.03 0.00 0.66 0.00 0.00 46.19 46.45 1wic s LEU 97 CO 0.23 -0.05 -0.00 -0.63 -1.89 0.00 0.00 176.35 174.01 1wic s ILE 98 N -0.82 0.26 0.17 6.68 1.01 0.38 0.75 121.20 129.64 1wic s ILE 98 Ca -0.03 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1wic s ILE 98 Cb -0.07 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1wic s ILE 98 CO 0.00 0.19 0.10 -0.04 0.00 0.00 0.00 174.94 175.19 1wic s MET 99 N 1.30 2.75 -0.30 2.79 -1.94 0.15 0.15 119.30 124.19 1wic s MET 99 Ca -0.06 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 52.86 1wic s MET 99 Cb -0.13 -2.55 0.14 0.00 2.01 0.00 0.00 34.83 34.30 1wic s MET 99 CO -0.02 0.47 0.73 0.00 -0.01 0.00 0.00 175.02 176.19 1wic s ALA 100 N -1.78 -2.25 -0.02 3.03 0.00 0.12 -1.80 121.76 119.06 1wic s ALA 100 Ca 0.30 2.22 0.02 0.00 0.00 0.00 0.00 51.96 54.51 1wic s ALA 100 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1wic s ALA 100 CO 0.22 -0.98 -0.07 0.00 0.00 0.00 0.00 175.76 174.93 1wic s ALA 101 N 2.79 0.70 -0.02 0.00 0.00 -0.63 0.19 121.76 124.79 1wic s ALA 101 Ca -0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1wic s ALA 101 Cb -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1wic s ALA 101 CO -0.19 0.11 1.41 -2.00 0.00 0.00 0.00 175.76 175.09 1wic s GLU 102 N 0.21 4.27 0.56 0.00 -6.30 -1.26 -1.36 118.70 114.81 1wic s GLU 102 Ca -0.03 1.95 0.03 0.00 -2.50 0.00 0.00 54.97 54.42 1wic s GLU 102 Cb -0.08 -3.63 0.05 0.00 0.00 0.00 0.00 34.13 30.47 1wic s GLU 102 CO 0.00 -0.61 0.78 -1.64 0.02 0.00 0.00 175.26 173.81 1wic s MET 103 N 2.65 2.43 0.00 4.30 -1.94 0.21 -4.94 119.30 122.00 1wic s MET 103 Ca 0.64 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 1wic s MET 103 Cb -0.31 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.01 1wic s MET 103 CO 0.26 -0.77 0.00 0.39 -0.01 0.00 0.00 175.02 174.88 1wic n GLU 104 N -2.33 1.23 0.00 2.03 -0.58 -1.26 -4.39 120.64 115.33 1wic n GLU 104 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1wic n GLU 104 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1wic n GLN 105 N 0.00 0.00 -2.89 3.49 1.13 -1.26 -4.12 117.38 113.73 1wic n GLN 105 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1wic n GLN 105 Cb 0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wic s SER 106 N -1.26 6.34 -0.06 1.08 0.01 -1.26 -4.58 113.70 113.97 1wic s SER 106 Ca 0.00 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 1wic s SER 106 Cb 0.00 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1wic s SER 106 CO 0.00 -1.13 0.14 -0.44 0.41 0.00 0.00 173.24 172.22 1wic s SER 107 N 2.70 -0.12 0.47 2.44 0.01 -1.26 -5.14 113.70 112.79 1wic s SER 107 Ca 0.29 0.29 -0.24 0.00 1.31 0.00 0.00 55.95 57.60 1wic s SER 107 Cb -0.13 0.21 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 1wic s SER 107 CO 0.19 -0.12 1.28 -0.83 0.41 0.00 0.00 173.24 174.17 1wic s GLY 108 N 0.89 2.87 -0.30 3.44 0.00 -1.26 -4.91 107.32 108.04 1wic s GLY 108 Ca -0.07 1.17 0.04 0.00 0.00 0.00 0.00 44.72 45.87 1wic s GLY 108 CO -0.04 1.70 1.63 -1.30 0.00 0.00 0.00 173.10 175.09 1wic n THR 109 N -0.42 2.53 -1.23 0.90 -2.24 -1.26 -4.25 114.28 108.30 1wic n THR 109 Ca 0.07 -1.35 -0.30 0.00 -2.27 0.00 0.00 64.05 60.20 1wic n THR 109 Cb 0.45 -0.56 0.24 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.51 -2.52 0.07 3.38 0.00 -1.26 -4.80 105.19 99.55 1wic n GLY 110 Ca 0.40 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 45.00 1wic n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wic n PRO 111 N -4.65 0.14 0.00 1.61 -0.04 -1.26 -2.66 135.00 128.14 1wic n PRO 111 Ca 0.16 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1wic n PRO 111 Cb 0.59 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1wic n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 112 N -1.67 0.00 -0.32 0.55 0.00 -1.26 -3.23 120.51 114.58 1wic n ALA 112 Ca 0.04 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1wic n ALA 112 Cb 0.30 0.00 0.28 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 -2.19 -0.07 0.37 0.00 -0.58 -1.25 0.26 120.64 117.17 1wic n GLU 113 Ca 0.00 1.38 -0.14 0.00 -0.42 0.00 0.00 57.16 57.98 1wic n GLU 113 Cb 0.00 -2.20 -0.07 0.00 -0.57 0.00 0.00 31.44 28.61 1wic n GLU 113 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wic h LEU 114 N 0.00 -0.79 -1.01 -4.62 3.38 -1.68 0.14 115.31 110.73 1wic h LEU 114 Ca 0.56 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.88 1wic h LEU 114 Cb 1.17 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.97 1wic h LEU 114 CO -0.86 -0.56 0.57 0.28 0.09 0.00 0.00 178.44 177.96 1wic h SER 115 N -0.95 0.52 -0.10 -0.43 0.02 -0.48 2.04 113.55 114.16 1wic h SER 115 Ca -0.10 0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1wic h SER 115 Cb 0.72 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1wic h SER 115 CO 0.16 -0.14 -0.29 1.56 -1.14 0.00 0.00 176.83 176.98 1wic h GLN 116 N 0.32 0.57 0.00 3.45 4.20 0.18 0.70 115.11 124.54 1wic h GLN 116 Ca 0.74 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 59.12 1wic h GLN 116 Cb 1.68 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1wic h GLN 116 CO -0.60 0.80 -0.62 0.35 -0.67 0.00 0.00 178.83 178.09 1wic h PHE 117 N 0.49 0.00 0.00 2.96 3.57 0.51 -2.10 116.94 122.38 1wic h PHE 117 Ca 0.06 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 1wic h PHE 117 Cb 0.75 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1wic h PHE 117 CO 0.03 0.39 -1.33 -1.49 -2.23 0.00 0.00 178.31 173.69 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.28 0.25 115.95 120.95 1wic h TRP 118 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1wic h TRP 118 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 1wic h TRP 118 CO 0.00 0.90 -0.21 1.57 -3.56 0.00 0.00 178.44 177.14 1wic h LYS 119 N 0.00 0.00 0.00 0.49 5.09 0.40 -3.33 116.57 119.21 1wic h LYS 119 Ca -0.15 0.00 -0.42 0.00 0.09 0.00 0.00 60.65 60.17 1wic h LYS 119 Cb 1.82 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 34.08 1wic h LYS 119 CO 0.09 0.00 -2.49 0.39 -2.09 0.00 0.00 179.45 175.35 1wic n GLU 120 N -2.53 0.62 -2.14 0.07 1.02 -0.79 -4.91 120.64 111.98 1wic n GLU 120 Ca 0.04 0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 1wic n GLU 120 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 3.80 0.85 2.62 0.11 0.88 -4.99 120.40 121.16 1wic s VAL 121 Ca -0.36 0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 59.54 1wic s VAL 121 Cb 0.11 -3.63 0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1wic s VAL 121 CO 0.55 -0.09 1.12 -2.16 -3.33 0.00 0.00 175.10 171.19 1wic s PRO 122 N 3.85 1.64 0.00 1.54 0.04 -1.26 -4.76 135.00 136.05 1wic s PRO 122 Ca 0.67 0.48 0.24 0.00 0.04 0.00 0.00 61.00 62.43 1wic s PRO 122 Cb -0.30 -1.88 1.43 0.00 0.04 0.00 0.00 34.50 33.80 1wic s PRO 122 CO 0.25 -1.89 1.84 2.89 0.04 0.00 0.00 177.00 180.12 1wic n ARG 123 N -3.59 0.85 -0.00 4.56 0.00 -1.26 -1.84 116.66 115.38 1wic n ARG 123 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.00 1wic n ARG 123 Cb 0.58 -1.44 -0.10 0.00 -0.00 0.00 0.00 32.46 31.49 1wic n ARG 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wic n ASN 124 N -0.94 0.87 -0.06 2.89 2.85 -1.26 -4.33 115.26 115.27 1wic n ASN 124 Ca 0.18 -0.93 -0.06 0.00 -0.11 0.00 0.00 54.58 53.66 1wic n ASN 124 Cb 0.08 1.00 -0.10 0.00 1.24 0.00 0.00 39.78 42.00 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wic n LYS 125 N -1.44 1.81 -3.16 1.20 4.76 -0.87 -4.96 118.16 115.50 1wic n LYS 125 Ca 0.03 -0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.07 1wic n LYS 125 Cb 0.29 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.34 4.79 0.45 -0.18 0.11 -0.76 -4.69 120.40 117.78 1wic s VAL 126 Ca -0.06 1.35 -0.18 0.00 -2.93 0.00 0.00 61.98 60.16 1wic s VAL 126 Cb 0.04 -3.98 -0.09 0.00 -1.53 0.00 0.00 36.38 30.82 1wic s VAL 126 CO 0.54 0.45 0.93 -0.32 -3.33 0.00 0.00 175.10 173.37 1wic s MET 127 N -0.46 4.05 -0.04 1.54 1.75 0.50 -4.84 119.30 121.81 1wic s MET 127 Ca 0.32 0.95 0.01 0.00 -1.25 0.00 0.00 55.69 55.73 1wic s MET 127 Cb -0.19 -2.20 0.02 0.00 2.84 0.00 0.00 34.83 35.29 1wic s MET 127 CO 0.19 -0.11 -0.05 -1.21 -0.65 0.00 0.00 175.02 173.19 1wic s GLU 128 N -3.58 0.84 -0.12 4.11 2.02 -1.25 -0.70 118.70 120.02 1wic s GLU 128 Ca 0.59 -0.14 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1wic s GLU 128 Cb -0.10 -0.83 0.04 0.00 0.10 0.00 0.00 34.13 33.34 1wic s GLU 128 CO 0.22 -0.04 -0.02 -1.58 0.02 0.00 0.00 175.26 173.86 1wic s HIS 129 N 0.75 1.15 -0.23 1.61 2.46 0.40 -4.92 115.29 116.50 1wic s HIS 129 Ca -0.10 -0.63 -0.14 0.00 0.47 0.00 0.00 55.06 54.66 1wic s HIS 129 Cb -0.13 -1.06 -0.04 0.00 -0.13 0.00 0.00 32.58 31.22 1wic s HIS 129 CO 0.00 -0.49 0.32 1.03 -2.47 0.00 0.00 174.74 173.14 1wic s ARG 130 N 1.82 4.11 0.29 2.88 3.00 -1.26 0.14 118.95 129.93 1wic s ARG 130 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 55.73 55.74 1wic s ARG 130 Cb -0.14 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.20 1wic s ARG 130 CO -0.07 -0.05 0.54 -0.51 0.00 0.00 0.00 175.30 175.21 1wic s LEU 131 N 1.37 4.06 0.03 2.53 2.01 -0.13 -4.80 118.68 123.75 1wic s LEU 131 Ca 0.15 0.67 0.06 0.00 0.01 0.00 0.00 54.13 55.02 1wic s LEU 131 Cb -0.15 -3.49 -0.02 0.00 0.01 0.00 0.00 46.19 42.55 1wic s LEU 131 CO 0.07 -0.20 -0.18 0.00 1.01 0.00 0.00 176.35 177.05 1wic s ARG 132 N -3.63 1.26 -0.12 1.70 1.70 -1.26 -2.38 118.95 116.22 1wic s ARG 132 Ca 0.43 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.65 1wic s ARG 132 Cb -0.11 -1.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.92 1wic s ARG 132 CO 0.31 0.34 0.55 0.00 -1.08 0.00 0.00 175.30 175.42 1wic s HIS 134 N 0.85 3.36 -0.11 0.00 2.46 0.04 -4.58 115.29 117.31 1wic s HIS 134 Ca 0.29 0.44 0.01 0.00 0.47 0.00 0.00 55.06 56.27 1wic s HIS 134 Cb -0.16 -2.40 -0.02 0.00 -0.13 0.00 0.00 32.58 29.88 1wic s HIS 134 CO 0.12 0.04 -0.14 0.95 -2.47 0.00 0.00 174.74 173.25 1wic s THR 135 N 1.13 2.98 -0.30 0.89 -4.23 -1.26 -4.82 115.64 110.03 1wic s THR 135 Ca 0.14 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 1wic s THR 135 Cb -0.14 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.65 1wic s THR 135 CO 0.06 0.54 0.87 0.54 -0.54 0.00 0.00 174.62 176.09 1wic s VAL 136 N 0.13 -0.62 0.00 2.29 0.11 -1.26 -5.13 120.40 115.92 1wic s VAL 136 Ca -0.07 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 1wic s VAL 136 Cb -0.15 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1wic s VAL 136 CO 0.05 0.00 0.33 -0.70 -3.33 0.00 0.00 175.10 171.44 1wic s GLU 137 N 2.77 0.73 0.43 1.54 -6.30 -1.26 -5.16 118.70 111.46 1wic s GLU 137 Ca 0.04 -0.27 -0.07 0.00 -2.50 0.00 0.00 54.97 52.17 1wic s GLU 137 Cb -0.10 0.32 0.10 0.00 0.00 0.00 0.00 34.13 34.45 1wic s GLU 137 CO -0.16 -0.22 0.23 0.43 0.02 0.00 0.00 175.26 175.56 1wic n SER 138 N 1.03 -2.27 -0.01 -1.70 7.64 -1.26 -5.02 113.62 112.03 1wic n SER 138 Ca -0.21 -0.23 -0.03 0.00 1.01 0.00 0.00 58.87 59.41 1wic n SER 138 Cb 0.57 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 1wic n SER 138 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wic n SER 139 N -2.79 1.24 -4.18 6.43 2.88 -1.26 -5.08 113.62 110.86 1wic n SER 139 Ca 0.04 0.19 -0.17 0.00 -1.33 0.00 0.00 58.87 57.60 1wic n SER 139 Cb 0.16 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.03 1wic n SER 139 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wic s LYS 140 N -2.18 0.86 0.09 -1.46 1.02 -1.26 -5.05 119.74 111.75 1wic s LYS 140 Ca -0.11 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 54.68 1wic s LYS 140 Cb 0.02 -0.75 -0.20 0.00 -0.52 0.00 0.00 37.83 36.38 1wic s LYS 140 CO 0.17 0.15 1.23 -1.00 -0.92 0.00 0.00 175.35 174.98 1wic h PRO 141 N 3.94 0.74 -4.90 -1.68 0.13 -2.05 -3.49 132.00 124.68 1wic h PRO 141 Ca -0.39 -0.72 0.01 0.00 -0.87 0.00 0.00 66.00 64.02 1wic h PRO 141 Cb 1.19 0.19 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 1wic h PRO 141 CO 0.46 1.30 -1.42 -1.71 -0.23 0.00 0.00 178.00 176.40 1wic n ASN 142 N -3.88 -1.78 -1.47 1.44 2.85 -1.26 -4.87 115.26 106.28 1wic n ASN 142 Ca -0.10 1.29 0.18 0.00 -0.11 0.00 0.00 54.58 55.85 1wic n ASN 142 Cb 0.84 -5.06 -0.09 0.00 1.24 0.00 0.00 39.78 36.71 1wic n ASN 142 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wic n SER 143 N 1.43 -8.32 -4.48 1.20 7.64 -1.26 -4.95 113.62 104.88 1wic n SER 143 Ca -0.33 1.32 -0.27 0.00 1.01 0.00 0.00 58.87 60.60 1wic n SER 143 Cb 0.51 -4.95 -0.11 0.00 -1.01 0.00 0.00 64.21 58.65 1wic n SER 143 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wic s LEU 144 N -7.31 2.65 0.07 -3.43 1.02 -1.26 -5.14 118.68 105.27 1wic s LEU 144 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 54.13 53.34 1wic s LEU 144 Cb 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1wic s LEU 144 CO 0.00 0.13 0.22 0.00 0.02 0.00 0.00 176.35 176.72 1wic s MET 145 N -2.59 0.82 -0.15 1.70 0.23 -1.26 -5.08 119.30 112.97 1wic s MET 145 Ca 0.21 -0.81 -0.11 0.00 -1.03 0.00 0.00 55.69 53.95 1wic s MET 145 Cb -0.09 0.34 -0.06 0.00 -1.53 0.00 0.00 34.83 33.49 1wic s MET 145 CO 0.11 -0.26 -0.25 1.47 -2.03 0.00 0.00 175.02 174.06 1wic n LEU 146 N 0.19 1.56 -1.86 0.18 -0.00 -1.26 -5.12 117.00 110.69 1wic n LEU 146 Ca -0.16 0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1wic n LEU 146 Cb 0.61 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1wic n LEU 146 CO 0.22 0.00 -0.44 -0.24 -0.00 0.00 0.00 177.39 176.93 1wic n SER 147 N -4.04 -8.61 -4.43 1.45 2.88 -1.26 -4.60 113.62 95.01 1wic n SER 147 Ca -0.25 1.26 -0.48 0.00 -1.33 0.00 0.00 58.87 58.08 1wic n SER 147 Cb 0.58 -4.69 -0.10 0.00 -0.75 0.00 0.00 64.21 59.25 1wic n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 148 N 1.24 -0.05 3.58 0.46 0.00 -1.26 -4.81 105.19 104.34 1wic n GLY 148 Ca 0.00 1.02 -0.41 0.00 0.00 0.00 0.00 46.02 46.62 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 7.42 3.24 0.64 1.61 0.04 -1.26 -4.99 135.00 141.71 1wic s PRO 149 Ca 1.20 0.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1wic s PRO 149 Cb -1.06 -4.15 -0.01 0.00 0.04 0.00 0.00 34.50 29.32 1wic s PRO 149 CO 0.50 -2.00 1.09 0.45 0.04 0.00 0.00 177.00 177.07 1wic s SER 150 N 4.91 5.33 0.20 6.66 0.15 -1.26 -4.88 113.70 124.82 1wic s SER 150 Ca 0.56 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1wic s SER 150 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1wic s SER 150 CO 0.25 -1.48 0.00 -0.24 1.20 0.00 0.00 173.24 172.98 1wic n SER 151 N -2.36 -1.83 0.00 5.45 2.88 -1.26 -5.30 113.62 111.20 1wic n SER 151 Ca 0.10 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1wic n SER 151 Cb 0.52 1.92 0.00 0.00 -0.75 0.00 0.00 64.21 65.90 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42