#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 2.75 0.15 1.61 0.15 -1.26 -5.12 113.70 111.98 1wic s SER 2 Ca 0.00 -1.60 -0.21 0.00 0.70 0.00 0.00 55.95 54.84 1wic s SER 2 Cb 0.00 -0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.24 1wic s SER 2 CO 0.00 -0.36 0.54 -0.94 1.20 0.00 0.00 173.24 173.68 1wic s SER 3 N 1.65 -0.46 -0.20 5.45 1.04 -1.26 -5.18 113.70 114.73 1wic s SER 3 Ca 0.14 -0.10 -0.36 0.00 0.48 0.00 0.00 55.95 56.11 1wic s SER 3 Cb -0.18 0.56 0.15 0.00 0.10 0.00 0.00 66.02 66.65 1wic s SER 3 CO -0.17 -0.93 1.37 -0.83 0.98 0.00 0.00 173.24 173.66 1wic s GLY 4 N -2.76 -0.32 0.17 7.32 0.00 -1.26 -5.18 107.32 105.29 1wic s GLY 4 Ca 0.02 1.51 0.09 0.00 0.00 0.00 0.00 44.72 46.34 1wic s GLY 4 CO -0.13 0.45 -0.20 -0.56 0.00 0.00 0.00 173.10 172.67 1wic s SER 5 N -2.40 2.87 -0.03 1.64 0.01 -1.26 -5.00 113.70 109.54 1wic s SER 5 Ca 0.13 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 1wic s SER 5 Cb 0.02 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1wic s SER 5 CO -0.04 0.01 0.05 -0.55 0.41 0.00 0.00 173.24 173.13 1wic s SER 6 N -2.62 -0.01 0.00 2.44 0.15 -1.26 -4.81 113.70 107.59 1wic s SER 6 Ca 0.16 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wic s SER 6 Cb -0.07 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1wic s SER 6 CO 0.07 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wic n GLY 7 N 3.68 1.26 3.58 9.45 0.00 -1.26 -4.95 105.19 116.94 1wic n GLY 7 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1wic n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wic s LYS 8 N 3.91 0.48 0.05 1.61 2.20 -1.26 -5.00 119.74 121.73 1wic s LYS 8 Ca 0.00 -0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1wic s LYS 8 Cb 0.00 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1wic s LYS 8 CO 0.00 -0.18 0.01 -1.59 -0.36 0.00 0.00 175.35 173.23 1wic s LYS 9 N -1.82 0.57 0.89 4.03 -2.85 -1.26 -5.17 119.74 114.13 1wic s LYS 9 Ca 0.04 -1.02 -0.15 0.00 -1.00 0.00 0.00 55.97 53.84 1wic s LYS 9 Cb -0.01 0.21 0.21 0.00 -2.06 0.00 0.00 37.83 36.18 1wic s LYS 9 CO -0.04 -0.12 0.97 -0.35 0.10 0.00 0.00 175.35 175.92 1wic n PRO 10 N 0.46 -1.88 -1.56 1.78 -0.04 -1.26 -4.89 135.00 127.61 1wic n PRO 10 Ca -0.17 -1.53 -0.56 0.00 -0.04 0.00 0.00 63.50 61.20 1wic n PRO 10 Cb 0.60 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 1wic n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wic n LEU 11 N 0.00 0.85 -3.62 1.53 7.99 -1.26 -4.94 117.00 117.55 1wic n LEU 11 Ca 0.13 1.14 -0.14 0.00 -0.01 0.00 0.00 56.01 57.13 1wic n LEU 11 Cb 0.47 -1.05 -0.06 0.00 -0.11 0.00 0.00 43.42 42.67 1wic n LEU 11 CO 0.33 -1.44 0.22 -0.44 -1.51 0.00 0.00 177.39 174.56 1wic s SER 12 N 0.45 -0.38 0.02 -1.43 0.01 -1.26 -5.09 113.70 106.02 1wic s SER 12 Ca 0.89 0.16 0.07 0.00 1.31 0.00 0.00 55.95 58.38 1wic s SER 12 Cb -1.13 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 1wic s SER 12 CO 0.54 -0.66 -0.19 0.68 0.41 0.00 0.00 173.24 174.02 1wic s VAL 13 N -2.19 1.55 -0.77 3.43 -7.23 -1.26 -0.23 120.40 113.70 1wic s VAL 13 Ca -0.07 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 1wic s VAL 13 Cb -0.01 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 1wic s VAL 13 CO 0.00 0.27 1.70 0.12 -0.31 0.00 0.00 175.10 176.88 1wic s PHE 14 N -0.67 1.95 -0.72 2.82 5.36 0.81 -4.77 117.98 122.75 1wic s PHE 14 Ca 0.07 0.33 -0.25 0.00 -0.96 0.00 0.00 56.93 56.13 1wic s PHE 14 Cb -0.08 -4.28 -0.14 0.00 -0.34 0.00 0.00 43.02 38.18 1wic s PHE 14 CO 0.01 -2.06 2.41 1.63 -1.46 0.00 0.00 175.22 175.75 1wic n LYS 15 N 9.10 0.63 -2.69 10.12 4.01 -1.26 -2.84 118.16 135.23 1wic n LYS 15 Ca 0.24 -0.47 -0.30 0.00 -0.51 0.00 0.00 58.31 57.26 1wic n LYS 15 Cb 0.50 -3.28 -0.03 0.00 -0.51 0.00 0.00 35.03 31.72 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 10.30 1.91 0.45 0.72 0.00 -1.26 -4.97 107.32 114.47 1wic s GLY 16 Ca 1.00 -0.15 0.28 0.00 0.00 0.00 0.00 44.72 45.85 1wic s GLY 16 CO 0.20 0.06 1.79 -0.56 0.00 0.00 0.00 173.10 174.59 1wic h PRO 17 N 1.00 0.00 0.00 2.90 0.13 -1.99 -3.41 132.00 130.63 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 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 -2.93 0.00 -4.50 1.56 4.77 -1.26 -4.64 117.00 110.00 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 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 1wic n LEU 18 CO 0.29 -0.18 -0.38 -0.22 -1.33 0.00 0.00 177.39 175.58 1wic s LEU 19 N -3.07 3.11 0.55 2.23 1.98 -1.26 -2.39 118.68 119.84 1wic s LEU 19 Ca 0.00 -0.14 -0.15 0.00 -2.89 0.00 0.00 54.13 50.96 1wic s LEU 19 Cb 0.00 -1.72 -0.06 0.00 0.66 0.00 0.00 46.19 45.07 1wic s LEU 19 CO 0.00 0.23 1.00 -1.00 -1.89 0.00 0.00 176.35 174.69 1wic s HIS 20 N 0.00 3.48 -0.08 5.38 3.76 0.13 -4.18 115.29 123.78 1wic s HIS 20 Ca -0.01 1.41 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 1wic s HIS 20 Cb -0.14 -2.78 0.01 0.00 1.11 0.00 0.00 32.58 30.79 1wic s HIS 20 CO 0.03 -0.51 -0.13 0.42 -0.85 0.00 0.00 174.74 173.70 1wic s ILE 21 N -2.80 1.27 -0.03 0.60 -1.09 -1.13 -2.89 121.20 115.12 1wic s ILE 21 Ca 0.58 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1wic s ILE 21 Cb -0.11 -1.17 0.03 0.00 -1.58 0.00 0.00 42.46 39.64 1wic s ILE 21 CO 0.39 0.39 0.01 -0.55 -1.23 0.00 0.00 174.94 173.95 1wic s SER 22 N 0.85 0.44 1.10 3.58 0.15 0.38 -0.14 113.70 120.05 1wic s SER 22 Ca -0.11 -0.00 -0.18 0.00 0.70 0.00 0.00 55.95 56.36 1wic s SER 22 Cb -0.15 -0.18 0.25 0.00 -1.71 0.00 0.00 66.02 64.23 1wic s SER 22 CO 0.01 -0.13 1.23 -2.16 1.20 0.00 0.00 173.24 173.40 1wic s PRO 23 N 1.17 -0.40 0.00 5.44 0.04 -1.26 0.04 135.00 140.03 1wic s PRO 23 Ca -0.08 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1wic s PRO 23 Cb -0.13 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wic s PRO 23 CO -0.02 -3.13 0.24 0.00 0.04 0.00 0.00 177.00 174.13 1wic n ALA 24 N -4.30 0.00 -3.15 8.56 0.00 0.68 -4.61 120.51 117.70 1wic n ALA 24 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 1wic n ALA 24 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.30 0.88 -3.15 0.00 1.02 -1.26 -4.69 120.64 113.14 1wic n GLU 25 Ca 0.00 -3.18 0.04 0.00 -0.02 0.00 0.00 57.16 54.00 1wic n GLU 25 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.76 0.49 -0.22 3.49 -1.05 -1.07 -4.20 118.70 114.39 1wic s GLU 26 Ca 0.37 0.62 -0.09 0.00 -0.15 0.00 0.00 54.97 55.72 1wic s GLU 26 Cb 0.29 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 34.24 1wic s GLU 26 CO -0.09 -0.78 0.12 -0.51 0.95 0.00 0.00 175.26 174.94 1wic s LEU 27 N 2.86 4.00 -0.65 1.83 1.43 0.49 -4.71 118.68 123.94 1wic s LEU 27 Ca 0.14 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1wic s LEU 27 Cb -0.10 -2.05 0.17 0.00 0.03 0.00 0.00 46.19 44.23 1wic s LEU 27 CO -0.23 0.11 0.54 -0.31 0.23 0.00 0.00 176.35 176.69 1wic s TYR 28 N 0.76 3.53 -0.82 0.29 1.51 -1.26 0.19 117.35 121.54 1wic s TYR 28 Ca 0.06 -2.15 -0.24 0.00 -1.01 0.00 0.00 57.07 53.73 1wic s TYR 28 Cb -0.13 -3.54 0.05 0.00 -0.11 0.00 0.00 41.96 38.23 1wic s TYR 28 CO 0.02 -0.95 1.26 -0.06 -1.11 0.00 0.00 175.55 174.71 1wic s PHE 29 N 0.50 2.49 0.00 2.71 0.08 -1.26 -4.63 117.98 117.87 1wic s PHE 29 Ca 0.13 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1wic s PHE 29 Cb -0.19 -4.56 0.00 0.00 -0.57 0.00 0.00 43.02 37.70 1wic s PHE 29 CO -0.04 -1.91 0.00 0.41 -0.10 0.00 0.00 175.22 173.57 1wic n GLY 30 N 5.81 0.37 3.65 4.36 0.00 -1.26 -4.96 105.19 113.16 1wic n GLY 30 Ca 0.12 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 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 4.46 -0.01 1.61 0.01 -1.25 -5.00 113.70 113.52 1wic s SER 31 Ca 0.00 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.44 1wic s SER 31 Cb 0.00 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.47 1wic s SER 31 CO 0.00 -0.11 -0.12 -0.38 0.41 0.00 0.00 173.24 173.04 1wic n ILE 32 N -0.95 1.22 -0.23 1.44 5.41 -1.26 -3.85 119.36 121.14 1wic n ILE 32 Ca -0.05 0.25 0.03 0.00 1.00 0.00 0.00 62.75 63.98 1wic n ILE 32 Cb 0.60 -1.82 0.14 0.00 -0.71 0.00 0.00 39.64 37.85 1wic n ILE 32 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wic h GLU 33 N -0.34 0.21 0.00 0.38 4.39 -1.97 0.28 114.58 117.53 1wic h GLU 33 Ca -0.03 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1wic h GLU 33 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1wic h GLU 33 CO -0.02 0.14 -0.53 0.66 -1.16 0.00 0.00 179.01 178.10 1wic h SER 34 N 0.22 0.00 0.00 1.42 4.64 -1.99 -3.48 113.55 114.35 1wic h SER 34 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1wic h SER 34 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1wic h SER 34 CO -0.50 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1wic n GLY 35 N 1.06 1.23 3.41 -0.77 0.00 0.97 -4.98 105.19 106.12 1wic n GLY 35 Ca 0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 0.41 -1.59 1.61 1.02 -1.26 -4.13 120.64 116.70 1wic n GLU 36 Ca 0.00 0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.92 1wic n GLU 36 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.77 3.90 -4.61 3.49 5.02 -1.26 -3.95 118.16 121.52 1wic n LYS 37 Ca 0.12 -2.67 -0.31 0.00 -2.02 0.00 0.00 58.31 53.43 1wic n LYS 37 Cb 0.40 -2.64 -0.12 0.00 -0.02 0.00 0.00 35.03 32.65 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 0.45 2.12 0.03 1.97 0.00 -1.26 -4.21 119.74 118.83 1wic s LYS 38 Ca 0.62 -0.96 0.02 0.00 0.00 0.00 0.00 55.97 55.65 1wic s LYS 38 Cb 0.20 -2.22 -0.04 0.00 0.00 0.00 0.00 37.83 35.77 1wic s LYS 38 CO -0.08 0.54 0.02 -0.08 0.00 0.00 0.00 175.35 175.76 1wic s THR 39 N -0.95 4.27 -0.21 3.79 -1.32 -0.04 -4.79 115.64 116.40 1wic s THR 39 Ca 0.15 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 1wic s THR 39 Cb -0.11 -2.96 0.02 0.00 -1.51 0.00 0.00 72.50 67.95 1wic s THR 39 CO 0.06 0.28 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.39 1wic s LEU 40 N -1.87 2.63 0.23 9.08 2.96 -1.26 0.15 118.68 130.60 1wic s LEU 40 Ca 0.23 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 1wic s LEU 40 Cb -0.12 -1.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 1wic s LEU 40 CO 0.14 -0.06 0.54 -0.63 -1.32 0.00 0.00 176.35 175.03 1wic s ILE 41 N 1.29 4.94 -0.04 6.68 1.01 0.32 -4.73 121.20 130.66 1wic s ILE 41 Ca 0.02 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1wic s ILE 41 Cb -0.15 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1wic s ILE 41 CO -0.09 -0.06 -0.19 -0.69 0.00 0.00 0.00 174.94 173.90 1wic s VAL 42 N -1.81 1.60 -0.27 2.92 1.01 0.11 0.55 120.40 124.52 1wic s VAL 42 Ca 0.47 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1wic s VAL 42 Cb -0.11 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1wic s VAL 42 CO 0.21 0.46 -0.08 -0.76 0.00 0.00 0.00 175.10 174.93 1wic s LEU 43 N -0.09 3.57 -0.40 3.92 1.43 -1.04 -0.47 118.68 125.60 1wic s LEU 43 Ca -0.02 -1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 51.40 1wic s LEU 43 Cb -0.11 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1wic s LEU 43 CO 0.02 -0.22 0.53 -0.89 0.23 0.00 0.00 176.35 176.02 1wic s THR 44 N 1.10 4.98 -0.50 5.49 2.01 -1.14 -1.68 115.64 125.89 1wic s THR 44 Ca -0.06 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1wic s THR 44 Cb -0.20 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1wic s THR 44 CO -0.06 -0.39 1.17 0.21 -0.69 0.00 0.00 174.62 174.86 1wic s ASN 45 N 1.85 6.56 -0.06 3.53 3.84 -0.42 0.18 114.94 130.43 1wic s ASN 45 Ca 0.18 0.38 -0.10 0.00 0.21 0.00 0.00 52.86 53.53 1wic s ASN 45 Cb -0.15 -2.55 -0.30 0.00 -0.55 0.00 0.00 41.25 37.70 1wic s ASN 45 CO 0.15 -1.33 0.63 -0.37 -2.79 0.00 0.00 177.10 173.39 1wic h VAL 46 N 6.23 0.90 -3.27 -5.21 -1.51 -1.79 -0.83 116.25 110.77 1wic h VAL 46 Ca -0.24 -2.51 -0.54 0.00 -1.23 0.00 0.00 66.70 62.19 1wic h VAL 46 Cb 1.06 2.72 0.21 0.00 -2.13 0.00 0.00 31.29 33.15 1wic h VAL 46 CO 1.14 0.86 -0.64 0.35 -1.23 0.00 0.00 177.57 178.05 1wic n THR 47 N -3.56 0.31 -0.84 7.19 -2.24 -1.20 -4.66 114.28 109.28 1wic n THR 47 Ca -0.25 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1wic n THR 47 Cb 1.07 -0.59 0.24 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.21 3.07 -3.76 -0.78 4.76 -1.26 -4.04 118.16 114.94 1wic n LYS 48 Ca 0.07 -2.71 -0.13 0.00 -2.87 0.00 0.00 58.31 52.67 1wic n LYS 48 Cb 0.53 -2.10 -0.11 0.00 -1.84 0.00 0.00 35.03 31.51 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 -0.88 -0.34 0.46 4.39 0.01 -1.26 -4.93 114.94 112.39 1wic s ASN 49 Ca 0.49 0.65 -0.18 0.00 -0.71 0.00 0.00 52.86 53.11 1wic s ASN 49 Cb 0.40 0.63 -0.15 0.00 0.41 0.00 0.00 41.25 42.54 1wic s ASN 49 CO 0.11 -0.12 -0.07 -0.38 -1.51 0.00 0.00 177.10 175.13 1wic n ILE 50 N 3.16 0.14 -3.89 0.60 5.41 -1.26 -4.49 119.36 119.04 1wic n ILE 50 Ca -0.15 -0.48 -0.18 0.00 1.00 0.00 0.00 62.75 62.94 1wic n ILE 50 Cb 0.57 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.34 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 -1.86 0.17 -0.16 1.39 1.01 -1.09 0.48 120.40 120.34 1wic s VAL 51 Ca 0.56 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1wic s VAL 51 Cb -0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1wic s VAL 51 CO 0.63 0.16 0.55 0.00 0.00 0.00 0.00 175.10 176.44 1wic s ALA 52 N 1.21 3.50 0.29 5.51 0.00 -0.06 -0.30 121.76 131.91 1wic s ALA 52 Ca -0.07 -0.25 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1wic s ALA 52 Cb -0.13 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1wic s ALA 52 CO -0.02 -0.30 -0.15 -0.59 0.00 0.00 0.00 175.76 174.70 1wic s PHE 53 N 1.31 2.22 -0.02 0.00 -0.71 0.17 -0.81 117.98 120.14 1wic s PHE 53 Ca 0.27 -0.45 -0.16 0.00 -1.04 0.00 0.00 56.93 55.55 1wic s PHE 53 Cb -0.16 -1.10 0.03 0.00 -1.21 0.00 0.00 43.02 40.58 1wic s PHE 53 CO 0.11 0.59 0.34 0.15 -1.34 0.00 0.00 175.22 175.07 1wic s LYS 54 N -3.58 0.70 -0.26 1.99 1.02 -0.52 -1.97 119.74 117.13 1wic s LYS 54 Ca 0.30 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 56.11 1wic s LYS 54 Cb -0.01 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1wic s LYS 54 CO 0.14 -0.20 -0.04 0.08 -0.92 0.00 0.00 175.35 174.42 1wic s VAL 55 N -1.31 3.08 -0.04 3.17 1.01 0.14 0.17 120.40 126.62 1wic s VAL 55 Ca -0.13 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1wic s VAL 55 Cb -0.05 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1wic s VAL 55 CO 0.05 0.19 -0.22 -0.60 0.00 0.00 0.00 175.10 174.51 1wic s ARG 56 N 1.36 2.08 0.26 2.72 3.00 0.56 -4.89 118.95 124.04 1wic s ARG 56 Ca 0.01 -0.78 0.01 0.00 -1.00 0.00 0.00 55.73 53.97 1wic s ARG 56 Cb -0.17 -1.85 -0.05 0.00 0.00 0.00 0.00 34.95 32.89 1wic s ARG 56 CO -0.03 0.37 0.09 -0.08 0.00 0.00 0.00 175.30 175.65 1wic s THR 57 N -0.22 0.61 -0.56 4.11 -1.32 -1.26 0.20 115.64 117.20 1wic s THR 57 Ca 0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 1wic s THR 57 Cb -0.11 -2.60 0.34 0.00 -1.51 0.00 0.00 72.50 68.61 1wic s THR 57 CO 0.02 -0.04 1.12 0.35 -2.21 0.00 0.00 174.62 173.86 1wic n THR 58 N -0.46 1.37 -2.68 5.08 -2.24 -1.22 -4.26 114.28 109.87 1wic n THR 58 Ca -0.01 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 61.08 1wic n THR 58 Cb 0.66 -0.50 0.06 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.15 -3.42 0.36 6.98 0.00 -1.26 -5.00 120.51 118.32 1wic n ALA 59 Ca 0.15 -0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1wic n ALA 59 Cb 0.74 -3.05 0.44 0.00 0.00 0.00 0.00 19.45 17.58 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 3.59 0.00 -0.77 0.00 0.13 -1.83 -2.29 132.00 130.83 1wic h PRO 60 Ca -0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1wic h PRO 60 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1wic h PRO 60 CO -0.12 0.00 0.05 -0.85 -0.23 0.00 0.00 178.00 176.85 1wic n GLU 61 N -2.75 3.23 0.00 0.86 0.28 -1.26 -4.08 120.64 116.92 1wic n GLU 61 Ca 0.03 -1.95 0.00 0.00 -0.16 0.00 0.00 57.16 55.08 1wic n GLU 61 Cb 0.38 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.30 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 0.27 0.00 -3.95 3.44 5.02 -1.06 -5.05 118.16 116.82 1wic n LYS 62 Ca 0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1wic n LYS 62 Cb 0.89 -0.28 -0.08 0.00 -0.02 0.00 0.00 35.03 35.54 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 -1.71 3.37 -0.39 2.13 2.02 -0.88 -1.33 117.35 120.55 1wic s TYR 63 Ca 0.00 0.27 -0.19 0.00 -0.37 0.00 0.00 57.07 56.78 1wic s TYR 63 Cb 0.00 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1wic s TYR 63 CO 0.00 0.38 0.57 0.50 -1.57 0.00 0.00 175.55 175.43 1wic s ARG 64 N -0.16 3.46 -0.23 -0.62 3.00 0.83 -4.67 118.95 120.56 1wic s ARG 64 Ca 0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 55.73 54.55 1wic s ARG 64 Cb -0.12 -3.87 0.03 0.00 0.00 0.00 0.00 34.95 30.98 1wic s ARG 64 CO 0.01 -0.81 -0.10 0.14 0.00 0.00 0.00 175.30 174.54 1wic s VAL 65 N 2.58 2.66 -0.18 7.11 -7.23 -1.26 -1.38 120.40 122.69 1wic s VAL 65 Ca 0.20 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1wic s VAL 65 Cb -0.15 -2.31 0.07 0.00 0.56 0.00 0.00 36.38 34.55 1wic s VAL 65 CO 0.16 0.27 0.42 -0.75 -0.31 0.00 0.00 175.10 174.89 1wic s LYS 66 N 1.31 0.38 0.60 4.82 2.36 -0.88 -3.47 119.74 124.86 1wic s LYS 66 Ca 0.01 0.87 -0.15 0.00 -2.55 0.00 0.00 55.97 54.15 1wic s LYS 66 Cb -0.16 0.08 -0.03 0.00 -1.05 0.00 0.00 37.83 36.67 1wic s LYS 66 CO -0.06 -0.18 1.05 -1.25 1.55 0.00 0.00 175.35 176.45 1wic s PRO 67 N 1.75 3.32 -0.01 4.03 0.04 -1.26 -1.57 135.00 141.30 1wic s PRO 67 Ca -0.07 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.17 1wic s PRO 67 Cb -0.09 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1wic s PRO 67 CO -0.13 -0.81 0.18 -1.13 0.04 0.00 0.00 177.00 175.15 1wic n SER 68 N -2.19 2.91 -3.47 6.66 3.41 -1.23 -4.75 113.62 114.97 1wic n SER 68 Ca 0.08 -0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.37 1wic n SER 68 Cb 0.53 1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 65.64 1wic n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wic s ASN 69 N -2.67 2.60 0.27 4.04 4.22 -1.26 0.23 114.94 122.37 1wic s ASN 69 Ca -0.02 -1.06 -0.13 0.00 -2.14 0.00 0.00 52.86 49.52 1wic s ASN 69 Cb 0.05 0.08 0.05 0.00 1.28 0.00 0.00 41.25 42.70 1wic s ASN 69 CO 0.30 -0.41 0.66 -1.20 -2.04 0.00 0.00 177.10 174.41 1wic n SER 70 N 5.24 -1.68 -4.37 3.54 7.64 -0.83 -5.01 113.62 118.15 1wic n SER 70 Ca -0.03 -2.11 -0.21 0.00 1.01 0.00 0.00 58.87 57.53 1wic n SER 70 Cb 0.44 2.79 -0.10 0.00 -1.01 0.00 0.00 64.21 66.33 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 71 N -2.67 2.81 -0.17 6.43 0.15 -1.26 0.45 113.70 119.44 1wic s SER 71 Ca 0.14 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.83 1wic s SER 71 Cb -0.03 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1wic s SER 71 CO 0.08 -0.08 -0.14 0.00 1.20 0.00 0.00 173.24 174.30 1wic n ASP 73 N 4.70 -1.25 -4.73 0.00 9.92 -1.26 -2.67 116.55 121.27 1wic n ASP 73 Ca -0.17 0.30 -0.41 0.00 -0.53 0.00 0.00 54.79 53.97 1wic n ASP 73 Cb 0.49 -1.29 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 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 -4.02 4.53 -0.42 -0.24 0.04 -1.26 -3.18 135.00 130.46 1wic s PRO 74 Ca 0.61 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 1wic s PRO 74 Cb -0.21 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1wic s PRO 74 CO 0.64 -0.04 0.06 0.41 0.04 0.00 0.00 177.00 178.11 1wic n GLY 75 N 2.41 0.25 3.28 0.56 0.00 -0.32 -4.99 105.19 106.39 1wic n GLY 75 Ca 0.05 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.44 1.71 -0.01 4.61 0.00 -1.19 -5.00 121.76 119.44 1wic s ALA 76 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1wic s ALA 76 Cb -0.01 1.45 0.01 0.00 0.00 0.00 0.00 23.12 24.57 1wic s ALA 76 CO 0.04 -0.66 -0.01 -1.54 0.00 0.00 0.00 175.76 173.59 1wic s SER 77 N -3.33 0.20 0.40 0.00 1.04 -1.26 -1.30 113.70 109.44 1wic s SER 77 Ca 0.40 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.89 1wic s SER 77 Cb 0.03 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1wic s SER 77 CO 0.25 -0.02 0.41 -0.51 0.98 0.00 0.00 173.24 174.35 1wic s ILE 78 N 0.26 2.95 -0.11 -1.02 2.07 -0.68 -4.90 121.20 119.76 1wic s ILE 78 Ca -0.02 -1.26 0.01 0.00 -1.41 0.00 0.00 60.65 57.96 1wic s ILE 78 Cb -0.04 -3.05 0.02 0.00 0.13 0.00 0.00 42.46 39.52 1wic s ILE 78 CO -0.01 -0.04 -0.12 1.51 -1.91 0.00 0.00 174.94 174.38 1wic s ASP 79 N -4.15 2.28 -0.31 4.50 -4.77 -1.26 -2.50 116.67 110.46 1wic s ASP 79 Ca 0.48 -0.37 0.02 0.00 -3.30 0.00 0.00 52.55 49.38 1wic s ASP 79 Cb -0.05 -0.97 0.08 0.00 -1.09 0.00 0.00 42.92 40.88 1wic s ASP 79 CO 0.29 -0.04 -0.01 -0.63 0.70 0.00 0.00 175.17 175.47 1wic s ILE 80 N 1.29 2.45 0.28 2.11 -1.09 0.19 -4.07 121.20 122.36 1wic s ILE 80 Ca -0.02 -1.86 -0.28 0.00 -2.23 0.00 0.00 60.65 56.26 1wic s ILE 80 Cb -0.14 -2.58 -0.09 0.00 -1.58 0.00 0.00 42.46 38.07 1wic s ILE 80 CO -0.05 -0.29 0.97 -0.63 -1.23 0.00 0.00 174.94 173.71 1wic s ILE 81 N 1.07 4.03 -0.31 2.92 1.09 -0.61 0.12 121.20 129.50 1wic s ILE 81 Ca -0.00 1.89 -0.02 0.00 -1.10 0.00 0.00 60.65 61.41 1wic s ILE 81 Cb -0.20 -4.14 0.10 0.00 -1.06 0.00 0.00 42.46 37.16 1wic s ILE 81 CO -0.05 0.34 0.13 -0.69 -0.10 0.00 0.00 174.94 174.56 1wic s VAL 82 N -1.35 0.33 -0.22 2.92 1.01 0.39 -2.07 120.40 121.41 1wic s VAL 82 Ca 0.45 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1wic s VAL 82 Cb -0.24 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1wic s VAL 82 CO 0.30 -0.74 -0.04 -0.55 0.00 0.00 0.00 175.10 174.08 1wic s SER 83 N 1.79 4.35 0.76 3.32 0.15 -0.48 -0.86 113.70 122.73 1wic s SER 83 Ca 0.10 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.27 1wic s SER 83 Cb -0.17 -1.75 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 1wic s SER 83 CO -0.29 -0.02 1.08 -2.16 1.20 0.00 0.00 173.24 173.06 1wic s PRO 84 N 1.47 2.42 1.02 5.44 0.04 -1.26 -0.12 135.00 144.00 1wic s PRO 84 Ca 0.06 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 1wic s PRO 84 Cb -0.14 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.56 1wic s PRO 84 CO -0.03 -1.42 0.55 1.58 0.04 0.00 0.00 177.00 177.72 1wic n HIS 85 N -3.32 -0.96 -3.16 0.56 -0.00 -0.44 -4.86 115.22 103.05 1wic n HIS 85 Ca 0.07 0.19 -0.44 0.00 0.46 0.00 0.00 57.72 57.99 1wic n HIS 85 Cb 0.55 -1.76 0.00 0.00 -0.12 0.00 0.00 29.99 28.66 1wic n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wic n GLY 86 N 1.31 4.06 0.00 1.57 0.00 -1.26 -3.58 105.19 107.29 1wic n GLY 86 Ca 0.06 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 2.99 -0.01 0.23 -0.02 0.00 -1.26 -4.91 105.19 102.20 1wic n GLY 87 Ca 0.29 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.55 1wic n GLY 87 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1wic h LEU 88 N 0.00 0.00 0.00 0.99 8.10 -1.98 -3.48 115.31 118.94 1wic h LEU 88 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.07 1wic h LEU 88 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1wic h LEU 88 CO 0.00 0.19 -0.11 1.07 -4.11 0.00 0.00 178.44 175.48 1wic n THR 89 N -4.13 0.00 -2.45 0.15 5.66 -1.23 -4.43 114.28 107.84 1wic n THR 89 Ca -0.02 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 1wic n THR 89 Cb 0.26 -0.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.91 1wic n THR 89 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wic s VAL 90 N -0.89 4.28 0.00 1.08 0.11 -1.26 -4.81 120.40 118.90 1wic s VAL 90 Ca 0.00 1.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 1wic s VAL 90 Cb 0.00 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1wic s VAL 90 CO 0.00 -0.06 0.13 -1.20 -3.33 0.00 0.00 175.10 170.64 1wic n SER 91 N 5.77 0.00 0.00 3.54 7.64 -1.26 -5.01 113.62 124.29 1wic n SER 91 Ca 0.12 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wic n SER 91 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.08 0.00 1.13 -0.43 0.00 -1.26 -4.92 120.51 112.94 1wic n ALA 92 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1wic n ALA 92 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.16 -1.67 0.00 6.02 -1.26 -4.61 117.38 116.03 1wic n GLN 93 Ca 0.00 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 1wic n GLN 93 Cb 0.00 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.76 1wic n GLN 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wic n ASP 94 N -1.39 2.25 -4.05 1.08 8.00 -1.26 -4.99 116.55 116.18 1wic n ASP 94 Ca 0.09 1.16 -0.21 0.00 0.71 0.00 0.00 54.79 56.53 1wic n ASP 94 Cb 0.31 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 39.83 1wic n ASP 94 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wic s ARG 95 N -1.91 1.07 -0.34 -1.24 6.06 -1.26 -4.33 118.95 117.00 1wic s ARG 95 Ca 0.58 -0.41 -0.01 0.00 -2.50 0.00 0.00 55.73 53.39 1wic s ARG 95 Cb -0.58 -1.01 0.08 0.00 0.06 0.00 0.00 34.95 33.51 1wic s ARG 95 CO 0.60 0.20 0.08 -0.06 -2.50 0.00 0.00 175.30 173.63 1wic s PHE 96 N -0.06 3.45 0.32 5.12 0.08 -0.08 -3.44 117.98 123.37 1wic s PHE 96 Ca 0.01 -2.22 -0.18 0.00 0.12 0.00 0.00 56.93 54.65 1wic s PHE 96 Cb -0.07 -2.62 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 1wic s PHE 96 CO 0.00 -0.89 0.80 -1.17 -0.10 0.00 0.00 175.22 173.86 1wic s LEU 97 N 1.17 4.13 -0.11 -0.37 2.96 0.55 0.16 118.68 127.16 1wic s LEU 97 Ca 0.02 1.45 -0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1wic s LEU 97 Cb -0.21 -4.06 0.04 0.00 0.50 0.00 0.00 46.19 42.46 1wic s LEU 97 CO -0.03 -0.17 0.04 -0.63 -1.32 0.00 0.00 176.35 174.24 1wic s ILE 98 N -1.89 0.16 0.33 6.68 1.01 0.17 -0.32 121.20 127.34 1wic s ILE 98 Ca 0.53 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 1wic s ILE 98 Cb -0.12 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 1wic s ILE 98 CO 0.18 0.03 0.67 -0.04 0.00 0.00 0.00 174.94 175.78 1wic s MET 99 N 2.05 3.81 -0.30 2.79 -1.94 0.45 -1.05 119.30 125.11 1wic s MET 99 Ca 0.03 0.39 -0.09 0.00 -1.71 0.00 0.00 55.69 54.32 1wic s MET 99 Cb -0.14 -2.50 0.15 0.00 2.01 0.00 0.00 34.83 34.35 1wic s MET 99 CO -0.06 0.13 0.68 0.00 -0.01 0.00 0.00 175.02 175.77 1wic s ALA 100 N -2.10 -2.19 -0.03 3.03 0.00 -0.13 -1.43 121.76 118.91 1wic s ALA 100 Ca 0.50 2.20 0.02 0.00 0.00 0.00 0.00 51.96 54.67 1wic s ALA 100 Cb -0.11 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1wic s ALA 100 CO 0.25 -1.03 -0.08 0.00 0.00 0.00 0.00 175.76 174.91 1wic s ALA 101 N 2.85 0.77 -0.01 0.00 0.00 0.01 -1.21 121.76 124.17 1wic s ALA 101 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1wic s ALA 101 Cb -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1wic s ALA 101 CO -0.19 0.11 1.43 -2.00 0.00 0.00 0.00 175.76 175.11 1wic s GLU 102 N 0.27 4.26 0.65 0.00 2.12 -1.26 -0.88 118.70 123.86 1wic s GLU 102 Ca -0.04 1.99 -0.02 0.00 0.36 0.00 0.00 54.97 57.26 1wic s GLU 102 Cb -0.09 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.75 1wic s GLU 102 CO 0.00 -0.62 0.92 -1.64 -0.54 0.00 0.00 175.26 173.38 1wic s MET 103 N 2.63 2.16 0.00 4.30 -1.94 0.18 -4.91 119.30 121.72 1wic s MET 103 Ca 0.65 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1wic s MET 103 Cb -0.32 -2.33 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1wic s MET 103 CO 0.26 -1.11 0.00 0.39 -0.01 0.00 0.00 175.02 174.55 1wic n GLU 104 N -2.69 3.23 0.00 2.03 1.02 -1.26 -4.51 120.64 118.46 1wic n GLU 104 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 0.55 -1.51 3.49 10.64 -1.26 -4.24 117.38 125.04 1wic n GLN 105 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 1wic n GLN 105 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 1wic n GLN 105 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1wic n SER 106 N -0.70 1.93 -4.29 2.61 7.64 -1.26 -4.76 113.62 114.80 1wic n SER 106 Ca 0.00 -0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.66 1wic n SER 106 Cb 0.00 -1.35 -0.11 0.00 -1.01 0.00 0.00 64.21 61.74 1wic n SER 106 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 107 N 9.72 2.34 0.26 6.43 0.01 -1.26 -5.13 113.70 126.07 1wic s SER 107 Ca 1.10 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 1wic s SER 107 Cb -0.62 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 65.41 1wic s SER 107 CO 0.39 -0.09 1.03 -0.83 0.41 0.00 0.00 173.24 174.15 1wic s GLY 108 N -2.53 3.09 -0.36 3.44 0.00 -1.26 -4.94 107.32 104.76 1wic s GLY 108 Ca 0.12 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1wic s GLY 108 CO 0.05 1.35 1.74 -1.30 0.00 0.00 0.00 173.10 174.94 1wic n THR 109 N 1.31 2.73 -1.35 0.90 -2.24 -1.26 -4.28 114.28 110.09 1wic n THR 109 Ca -0.01 -1.57 -0.24 0.00 -2.27 0.00 0.00 64.05 59.95 1wic n THR 109 Cb 0.46 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.63 -2.09 0.11 3.38 0.00 -1.26 -4.64 105.19 100.05 1wic n GLY 110 Ca 0.44 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.79 0.21 0.00 1.61 -0.04 -1.26 -2.70 135.00 129.02 1wic n PRO 111 Ca 0.13 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1wic n PRO 111 Cb 0.48 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.75 0.00 -0.29 0.55 0.00 -1.26 -3.14 120.51 114.61 1wic n ALA 112 Ca 0.04 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1wic n ALA 112 Cb 0.32 0.00 0.25 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 -1.89 -0.07 0.31 0.00 -0.58 -1.26 0.09 120.64 117.25 1wic n GLU 113 Ca 0.00 1.25 -0.12 0.00 -0.42 0.00 0.00 57.16 57.87 1wic n GLU 113 Cb 0.00 -1.99 -0.06 0.00 -0.57 0.00 0.00 31.44 28.82 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 -0.67 -1.49 -4.62 3.38 -1.69 0.36 115.31 110.58 1wic h LEU 114 Ca 0.51 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.81 1wic h LEU 114 Cb 1.07 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1wic h LEU 114 CO -0.78 -0.47 1.04 0.28 0.09 0.00 0.00 178.44 178.60 1wic h SER 115 N -0.81 0.00 0.00 -0.43 0.02 -0.29 0.55 113.55 112.59 1wic h SER 115 Ca -0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1wic h SER 115 Cb 0.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1wic h SER 115 CO 0.13 0.00 -0.13 -0.61 -1.14 0.00 0.00 176.83 175.08 1wic h GLN 116 N 0.00 0.00 -0.50 3.45 4.15 0.06 -3.05 115.11 119.22 1wic h GLN 116 Ca 0.49 0.00 0.09 0.00 0.77 0.00 0.00 58.65 60.00 1wic h GLN 116 Cb 2.57 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 30.23 1wic h GLN 116 CO -0.01 0.58 0.34 0.35 -1.93 0.00 0.00 178.83 178.16 1wic h PHE 117 N -1.00 0.33 0.00 3.99 3.57 0.40 1.00 116.94 125.23 1wic h PHE 117 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wic h PHE 117 Cb 0.63 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1wic h PHE 117 CO 0.13 0.16 0.00 0.91 -2.23 0.00 0.00 178.31 177.29 1wic n TRP 118 N -4.46 0.41 -0.03 0.41 7.02 0.14 0.60 117.44 121.53 1wic n TRP 118 Ca 0.08 0.13 -0.03 0.00 -1.02 0.00 0.00 57.50 56.66 1wic n TRP 118 Cb 0.34 -0.71 -0.13 0.00 -2.42 0.00 0.00 31.31 28.39 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 -1.85 0.65 -0.04 -0.99 0.00 0.31 -4.39 118.16 111.86 1wic n LYS 119 Ca 0.05 0.07 -0.22 0.00 0.00 0.00 0.00 58.31 58.22 1wic n LYS 119 Cb 0.33 -1.65 -0.13 0.00 0.00 0.00 0.00 35.03 33.57 1wic n LYS 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wic n GLU 120 N -2.74 0.70 -2.14 1.64 0.28 0.65 -4.86 120.64 114.18 1wic n GLU 120 Ca -0.18 0.32 -0.42 0.00 -0.16 0.00 0.00 57.16 56.72 1wic n GLU 120 Cb 0.93 -1.69 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wic s VAL 121 N -2.51 3.72 0.61 3.84 0.11 0.20 -4.98 120.40 121.38 1wic s VAL 121 Ca -0.26 0.95 -0.15 0.00 -2.93 0.00 0.00 61.98 59.60 1wic s VAL 121 Cb 0.07 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1wic s VAL 121 CO 0.70 -0.06 1.05 -2.16 -3.33 0.00 0.00 175.10 171.30 1wic s PRO 122 N 3.45 3.31 0.54 1.54 0.04 -1.26 -4.78 135.00 137.83 1wic s PRO 122 Ca 0.67 1.13 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1wic s PRO 122 Cb -0.31 -2.03 1.41 0.00 0.04 0.00 0.00 34.50 33.60 1wic s PRO 122 CO 0.26 -0.81 2.14 0.07 0.04 0.00 0.00 177.00 178.70 1wic h ARG 123 N 0.26 0.00 -0.00 4.56 -0.00 -1.94 0.23 114.38 117.49 1wic h ARG 123 Ca -0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.45 1wic h ARG 123 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.18 1wic h ARG 123 CO 0.58 0.00 -0.30 -0.97 -0.00 0.00 0.00 179.97 179.27 1wic h ASN 124 N 0.00 0.00 0.95 0.08 -1.24 -2.02 -1.83 115.58 111.52 1wic h ASN 124 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1wic h ASN 124 Cb 0.20 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1wic h ASN 124 CO -0.00 0.31 -1.03 0.29 -1.29 0.00 0.00 177.43 175.71 1wic n LYS 125 N -4.18 0.60 -2.43 6.67 4.76 0.58 -4.84 118.16 119.33 1wic n LYS 125 Ca -0.02 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 1wic n LYS 125 Cb 0.35 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 1wic n LYS 125 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wic s VAL 126 N -3.36 4.23 -0.30 -0.18 1.01 0.18 -4.69 120.40 117.28 1wic s VAL 126 Ca -0.01 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 1wic s VAL 126 Cb 0.10 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1wic s VAL 126 CO 0.79 -0.05 0.48 -0.32 0.00 0.00 0.00 175.10 176.01 1wic s MET 127 N 2.69 3.89 -0.20 2.72 1.75 -0.35 -4.91 119.30 124.90 1wic s MET 127 Ca 0.56 0.08 -0.07 0.00 -1.25 0.00 0.00 55.69 55.01 1wic s MET 127 Cb -0.24 -3.71 -0.04 0.00 2.84 0.00 0.00 34.83 33.68 1wic s MET 127 CO 0.20 -0.44 0.06 -1.21 -0.65 0.00 0.00 175.02 172.97 1wic s GLU 128 N 2.29 3.85 -0.21 4.11 2.02 -1.26 -0.96 118.70 128.54 1wic s GLU 128 Ca 0.19 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1wic s GLU 128 Cb -0.16 -3.22 0.05 0.00 0.10 0.00 0.00 34.13 30.90 1wic s GLU 128 CO 0.11 0.13 -0.06 -1.58 0.02 0.00 0.00 175.26 173.87 1wic s HIS 129 N 0.76 2.24 -0.11 1.61 2.46 -0.22 -4.93 115.29 117.10 1wic s HIS 129 Ca 0.03 -1.57 -0.22 0.00 0.47 0.00 0.00 55.06 53.77 1wic s HIS 129 Cb -0.14 -1.53 -0.03 0.00 -0.13 0.00 0.00 32.58 30.75 1wic s HIS 129 CO 0.02 -0.73 0.67 1.03 -2.47 0.00 0.00 174.74 173.26 1wic s ARG 130 N 1.45 4.36 0.07 2.88 0.52 -1.26 0.44 118.95 127.42 1wic s ARG 130 Ca -0.03 0.79 0.02 0.00 -0.52 0.00 0.00 55.73 55.99 1wic s ARG 130 Cb -0.17 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1wic s ARG 130 CO -0.07 -0.04 0.10 -0.51 0.02 0.00 0.00 175.30 174.81 1wic s LEU 131 N 1.18 3.91 0.14 2.53 1.43 0.41 -4.83 118.68 123.44 1wic s LEU 131 Ca 0.34 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1wic s LEU 131 Cb -0.17 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1wic s LEU 131 CO 0.15 0.17 -0.19 0.00 0.23 0.00 0.00 176.35 176.71 1wic s ARG 132 N -2.40 1.20 0.56 1.70 1.70 -1.26 -0.91 118.95 119.55 1wic s ARG 132 Ca 0.30 -1.31 -0.07 0.00 -0.47 0.00 0.00 55.73 54.17 1wic s ARG 132 Cb -0.12 -1.31 -0.02 0.00 -0.57 0.00 0.00 34.95 32.92 1wic s ARG 132 CO 0.23 0.28 0.90 0.00 -1.08 0.00 0.00 175.30 175.63 1wic n HIS 134 N -2.53 2.70 -1.67 0.00 -0.00 0.50 -4.48 115.22 109.75 1wic n HIS 134 Ca 0.03 -4.04 -0.46 0.00 0.46 0.00 0.00 57.72 53.72 1wic n HIS 134 Cb 0.55 -0.50 -0.04 0.00 -0.12 0.00 0.00 29.99 29.89 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wic n THR 135 N 1.19 0.13 -4.02 3.57 -2.24 -1.26 -4.76 114.28 106.89 1wic n THR 135 Ca 0.27 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1wic n THR 135 Cb 0.43 -1.56 -0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1wic n THR 135 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wic s VAL 136 N 0.79 0.26 0.20 2.28 1.01 -1.26 -5.09 120.40 118.59 1wic s VAL 136 Ca 0.77 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1wic s VAL 136 Cb -0.66 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1wic s VAL 136 CO 0.39 -0.14 1.27 -0.70 0.00 0.00 0.00 175.10 175.92 1wic s GLU 137 N -0.66 4.42 0.54 2.72 -6.30 -1.26 -5.00 118.70 113.16 1wic s GLU 137 Ca -0.05 2.00 -0.16 0.00 -2.50 0.00 0.00 54.97 54.26 1wic s GLU 137 Cb -0.05 -3.20 -0.06 0.00 0.00 0.00 0.00 34.13 30.81 1wic s GLU 137 CO -0.00 -0.20 1.01 0.45 0.02 0.00 0.00 175.26 176.54 1wic s SER 138 N 0.25 6.32 -0.86 -1.70 0.15 -1.26 -5.00 113.70 111.59 1wic s SER 138 Ca 0.55 1.67 0.01 0.00 0.70 0.00 0.00 55.95 58.88 1wic s SER 138 Cb -0.35 -2.52 0.28 0.00 -1.71 0.00 0.00 66.02 61.72 1wic s SER 138 CO 0.38 -0.80 1.14 -1.54 1.20 0.00 0.00 173.24 173.62 1wic n SER 139 N -1.72 5.17 -3.76 5.45 3.41 -1.26 -4.99 113.62 115.92 1wic n SER 139 Ca 0.07 -3.45 -0.16 0.00 -0.26 0.00 0.00 58.87 55.08 1wic n SER 139 Cb 0.54 -0.97 -0.16 0.00 -0.26 0.00 0.00 64.21 63.35 1wic n SER 139 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wic s LYS 140 N -2.71 0.01 -1.15 4.33 3.01 -1.26 -5.06 119.74 116.91 1wic s LYS 140 Ca 0.36 0.20 -0.19 0.00 -1.01 0.00 0.00 55.97 55.33 1wic s LYS 140 Cb 0.10 -0.33 -0.04 0.00 -1.01 0.00 0.00 37.83 36.55 1wic s LYS 140 CO 0.04 -0.19 1.99 -0.35 0.51 0.00 0.00 175.35 177.35 1wic n PRO 141 N 4.34 2.24 0.19 -1.68 -0.04 -1.26 -3.63 135.00 135.16 1wic n PRO 141 Ca -0.24 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1wic n PRO 141 Cb 0.50 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 1wic n PRO 141 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wic n ASN 142 N 8.42 -3.12 -5.00 3.54 5.15 -1.26 -5.15 115.26 117.85 1wic n ASN 142 Ca 0.49 0.73 -0.20 0.00 -0.60 0.00 0.00 54.58 55.00 1wic n ASN 142 Cb 0.42 2.99 0.03 0.00 -0.53 0.00 0.00 39.78 42.69 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 -2.27 5.22 -0.28 1.20 0.15 -1.24 -5.13 113.70 111.34 1wic s SER 143 Ca 0.00 -0.74 -0.21 0.00 0.70 0.00 0.00 55.95 55.70 1wic s SER 143 Cb 0.00 -0.08 0.13 0.00 -1.71 0.00 0.00 66.02 64.35 1wic s SER 143 CO 0.00 -1.06 0.98 -1.48 1.20 0.00 0.00 173.24 172.88 1wic s LEU 144 N -4.47 -0.51 -0.40 3.45 0.05 -1.26 -4.84 118.68 110.69 1wic s LEU 144 Ca 0.55 0.90 0.01 0.00 0.05 0.00 0.00 54.13 55.64 1wic s LEU 144 Cb -0.06 1.87 0.19 0.00 -2.05 0.00 0.00 46.19 46.13 1wic s LEU 144 CO 0.34 -0.15 0.83 -0.32 -0.55 0.00 0.00 176.35 176.50 1wic s MET 145 N 0.79 0.61 0.10 1.48 1.75 -1.26 -5.05 119.30 117.73 1wic s MET 145 Ca -0.03 -0.36 -0.27 0.00 -1.25 0.00 0.00 55.69 53.78 1wic s MET 145 Cb -0.04 0.03 -0.10 0.00 2.84 0.00 0.00 34.83 37.56 1wic s MET 145 CO -0.11 -0.84 1.44 -0.07 -0.65 0.00 0.00 175.02 174.80 1wic h LEU 146 N 5.78 -1.47 -2.14 4.11 3.38 -2.02 -3.46 115.31 119.49 1wic h LEU 146 Ca 0.02 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1wic h LEU 146 Cb 1.18 0.59 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 1wic h LEU 146 CO 0.01 -0.36 -1.25 -1.20 0.09 0.00 0.00 178.44 175.73 1wic n SER 147 N -4.87 -1.54 -4.71 -0.43 7.64 -1.26 -4.76 113.62 103.69 1wic n SER 147 Ca -0.04 1.15 -0.64 0.00 1.01 0.00 0.00 58.87 60.36 1wic n SER 147 Cb 0.29 -4.48 -0.09 0.00 -1.01 0.00 0.00 64.21 58.92 1wic n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 148 N 1.41 0.32 3.81 0.23 0.00 -1.26 -4.90 105.19 104.80 1wic n GLY 148 Ca -0.31 0.95 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 2.71 2.20 0.03 1.61 0.04 -1.26 -5.07 135.00 135.26 1wic s PRO 149 Ca 1.01 0.69 0.06 0.00 0.04 0.00 0.00 61.00 62.80 1wic s PRO 149 Cb -1.34 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1wic s PRO 149 CO 0.74 -1.55 -0.15 0.45 0.04 0.00 0.00 177.00 176.53 1wic s SER 150 N -3.89 4.02 -1.12 6.66 0.15 -1.26 -5.06 113.70 113.20 1wic s SER 150 Ca 0.60 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.77 1wic s SER 150 Cb -0.14 -0.73 0.21 0.00 -1.71 0.00 0.00 66.02 63.64 1wic s SER 150 CO 0.54 0.26 1.24 -0.44 1.20 0.00 0.00 173.24 176.05 1wic s SER 151 N -1.46 7.09 0.00 5.45 0.01 -1.26 -4.98 113.70 118.55 1wic s SER 151 Ca 0.15 -3.08 0.05 0.00 1.31 0.00 0.00 55.95 54.39 1wic s SER 151 Cb -0.11 -2.32 0.32 0.00 0.21 0.00 0.00 66.02 64.12 1wic s SER 151 CO 0.06 -0.61 0.79 0.61 0.41 0.00 0.00 173.24 174.50