#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic n SER 2 N 0.00 -6.60 -3.65 1.61 7.64 -1.26 -5.02 113.62 106.35 1wic n SER 2 Ca 0.00 0.35 -0.15 0.00 1.01 0.00 0.00 58.87 60.08 1wic n SER 2 Cb 0.00 -2.79 -0.07 0.00 -1.01 0.00 0.00 64.21 60.34 1wic n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 3 N -1.55 -0.40 0.00 6.43 0.01 -1.26 -5.16 113.70 111.77 1wic s SER 3 Ca 0.20 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wic s SER 3 Cb -0.03 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1wic s SER 3 CO 0.59 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wic n GLY 4 N 1.05 4.29 3.90 3.44 0.00 -1.26 -5.14 105.19 111.47 1wic n GLY 4 Ca -0.20 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1wic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 5 N 0.00 6.46 0.45 1.61 0.01 -1.26 -4.95 113.70 116.03 1wic s SER 5 Ca 0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1wic s SER 5 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1wic s SER 5 CO 0.00 -0.17 0.00 -0.24 0.41 0.00 0.00 173.24 173.24 1wic n SER 6 N -0.79 -7.88 0.00 2.44 2.88 -1.26 -5.07 113.62 103.94 1wic n SER 6 Ca -0.02 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1wic n SER 6 Cb 0.54 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 7 N -4.16 3.77 0.76 0.46 0.00 -1.26 -5.16 105.19 99.60 1wic n GLY 7 Ca -0.04 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1wic n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wic n LYS 8 N 0.00 -1.75 -3.81 1.61 5.02 -1.26 -4.96 118.16 113.01 1wic n LYS 8 Ca 0.00 1.41 -0.20 0.00 -2.02 0.00 0.00 58.31 57.50 1wic n LYS 8 Cb 0.00 -2.05 -0.02 0.00 -0.02 0.00 0.00 35.03 32.95 1wic n LYS 8 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wic s LYS 9 N -3.53 3.32 -0.25 1.97 3.01 -1.26 -5.05 119.74 117.95 1wic s LYS 9 Ca 0.00 -0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 53.82 1wic s LYS 9 Cb 0.00 -2.86 -0.01 0.00 -1.01 0.00 0.00 37.83 33.96 1wic s LYS 9 CO 0.00 0.31 1.33 -1.25 0.51 0.00 0.00 175.35 176.25 1wic s PRO 10 N -4.04 4.00 -0.30 -1.68 0.04 -1.26 -4.94 135.00 126.82 1wic s PRO 10 Ca 0.37 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1wic s PRO 10 Cb -0.09 -3.86 0.19 0.00 0.04 0.00 0.00 34.50 30.77 1wic s PRO 10 CO 0.30 -1.02 0.82 -0.51 0.04 0.00 0.00 177.00 176.63 1wic s LEU 11 N 4.21 -0.98 0.05 -3.56 1.43 -1.26 -5.17 118.68 113.41 1wic s LEU 11 Ca 0.57 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1wic s LEU 11 Cb -0.19 1.71 -0.03 0.00 0.03 0.00 0.00 46.19 47.72 1wic s LEU 11 CO 0.21 -0.18 -0.08 -0.44 0.23 0.00 0.00 176.35 176.09 1wic s SER 12 N 2.90 0.94 0.02 2.29 0.01 -1.26 -5.10 113.70 113.50 1wic s SER 12 Ca 0.14 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1wic s SER 12 Cb -0.09 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1wic s SER 12 CO -0.20 -0.23 -0.17 0.68 0.41 0.00 0.00 173.24 173.73 1wic s VAL 13 N -1.65 1.37 -0.77 3.43 -7.23 -1.26 -0.84 120.40 113.45 1wic s VAL 13 Ca -0.07 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 1wic s VAL 13 Cb -0.08 -1.19 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 1wic s VAL 13 CO -0.00 0.20 1.66 0.12 -0.31 0.00 0.00 175.10 176.76 1wic s PHE 14 N -0.67 1.99 -0.42 2.82 5.36 0.47 -4.77 117.98 122.76 1wic s PHE 14 Ca 0.05 0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 56.01 1wic s PHE 14 Cb -0.08 -4.32 -0.08 0.00 -0.34 0.00 0.00 43.02 38.20 1wic s PHE 14 CO 0.01 -2.08 2.34 1.63 -1.46 0.00 0.00 175.22 175.67 1wic n LYS 15 N 9.13 1.26 -3.45 10.12 4.01 -1.26 -2.82 118.16 135.14 1wic n LYS 15 Ca 0.22 0.21 -0.27 0.00 -0.51 0.00 0.00 58.31 57.96 1wic n LYS 15 Cb 0.50 -3.07 -0.03 0.00 -0.51 0.00 0.00 35.03 31.93 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 9.94 1.75 0.46 0.72 0.00 -1.26 -4.99 107.32 113.95 1wic s GLY 16 Ca 1.04 -0.70 0.28 0.00 0.00 0.00 0.00 44.72 45.34 1wic s GLY 16 CO 0.35 -0.62 1.79 -0.56 0.00 0.00 0.00 173.10 174.06 1wic h PRO 17 N 1.63 0.00 0.00 2.90 0.13 -1.99 -3.41 132.00 131.26 1wic h PRO 17 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.66 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.71 1wic n LEU 18 N -2.98 0.00 -4.54 1.56 4.77 -1.26 -4.68 117.00 109.87 1wic n LEU 18 Ca 0.02 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 41.38 1wic n LEU 18 CO 0.30 -0.20 -0.37 -0.22 -1.33 0.00 0.00 177.39 175.57 1wic s LEU 19 N -3.18 3.20 0.56 2.23 1.98 -1.26 -2.51 118.68 119.70 1wic s LEU 19 Ca 0.00 -0.07 -0.15 0.00 -2.89 0.00 0.00 54.13 51.02 1wic s LEU 19 Cb 0.00 -1.73 -0.06 0.00 0.66 0.00 0.00 46.19 45.06 1wic s LEU 19 CO 0.00 0.27 1.01 -1.00 -1.89 0.00 0.00 176.35 174.74 1wic s HIS 20 N -0.25 3.45 -0.06 5.38 3.76 0.11 -4.14 115.29 123.55 1wic s HIS 20 Ca 0.04 1.42 0.02 0.00 -0.15 0.00 0.00 55.06 56.39 1wic s HIS 20 Cb -0.13 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.78 1wic s HIS 20 CO 0.02 -0.55 -0.13 0.42 -0.85 0.00 0.00 174.74 173.66 1wic s ILE 21 N -2.78 1.18 -0.08 0.60 -1.09 -1.13 -3.02 121.20 114.88 1wic s ILE 21 Ca 0.58 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1wic s ILE 21 Cb -0.11 -1.07 0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1wic s ILE 21 CO 0.39 0.36 0.20 -0.55 -1.23 0.00 0.00 174.94 174.11 1wic s SER 22 N 0.60 -0.20 0.87 3.58 0.15 0.36 -0.40 113.70 118.68 1wic s SER 22 Ca -0.14 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.81 1wic s SER 22 Cb -0.15 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 64.60 1wic s SER 22 CO 0.04 -0.14 1.12 -2.16 1.20 0.00 0.00 173.24 173.31 1wic s PRO 23 N 0.95 1.45 0.00 5.44 0.04 -1.26 0.61 135.00 142.23 1wic s PRO 23 Ca -0.07 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1wic s PRO 23 Cb -0.09 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1wic s PRO 23 CO -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 177.00 174.97 1wic n ALA 24 N -3.66 0.00 -3.13 8.56 0.00 -0.02 -4.52 120.51 117.75 1wic n ALA 24 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 1wic n ALA 24 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 1.92 -3.15 0.00 1.02 -1.26 -4.71 120.64 114.47 1wic n GLU 25 Ca 0.00 -4.03 0.04 0.00 -0.02 0.00 0.00 57.16 53.15 1wic n GLU 25 Cb 0.00 -1.90 -0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 -2.65 0.45 0.11 3.49 4.04 -1.21 -4.29 118.70 118.64 1wic s GLU 26 Ca 0.43 0.56 -0.14 0.00 0.04 0.00 0.00 54.97 55.85 1wic s GLU 26 Cb 0.28 0.28 -0.07 0.00 0.02 0.00 0.00 34.13 34.64 1wic s GLU 26 CO -0.10 -0.73 0.51 -0.51 -1.84 0.00 0.00 175.26 172.60 1wic s LEU 27 N 2.87 4.38 -0.35 1.83 2.01 0.36 -4.69 118.68 125.10 1wic s LEU 27 Ca 0.15 1.04 -0.00 0.00 0.01 0.00 0.00 54.13 55.32 1wic s LEU 27 Cb -0.10 -3.09 0.11 0.00 0.01 0.00 0.00 46.19 43.13 1wic s LEU 27 CO -0.23 0.16 0.15 -0.31 1.01 0.00 0.00 176.35 177.13 1wic s TYR 28 N -1.36 1.64 -0.75 0.29 2.02 -1.26 -0.46 117.35 117.46 1wic s TYR 28 Ca 0.34 -1.89 -0.21 0.00 -0.37 0.00 0.00 57.07 54.95 1wic s TYR 28 Cb -0.16 -1.66 0.10 0.00 -0.40 0.00 0.00 41.96 39.85 1wic s TYR 28 CO 0.18 -0.85 0.98 -0.06 -1.57 0.00 0.00 175.55 174.24 1wic s PHE 29 N 1.24 2.90 -0.38 2.71 0.40 -1.26 -4.58 117.98 119.00 1wic s PHE 29 Ca 0.13 -0.94 0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1wic s PHE 29 Cb -0.20 -4.24 0.40 0.00 0.51 0.00 0.00 43.02 39.49 1wic s PHE 29 CO -0.16 -1.53 1.36 0.41 0.70 0.00 0.00 175.22 176.00 1wic n GLY 30 N 5.37 1.48 3.93 4.36 0.00 -1.26 -4.72 105.19 114.36 1wic n GLY 30 Ca 0.06 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.36 6.38 0.07 1.61 0.15 -1.26 -4.83 113.70 114.46 1wic s SER 31 Ca 0.20 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1wic s SER 31 Cb 0.41 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1wic s SER 31 CO -0.09 0.02 -0.06 -0.63 1.20 0.00 0.00 173.24 173.68 1wic s ILE 32 N -1.77 0.54 0.00 6.45 1.09 -0.61 -0.80 121.20 126.11 1wic s ILE 32 Ca 0.37 -1.60 0.00 0.00 -1.10 0.00 0.00 60.65 58.32 1wic s ILE 32 Cb -0.11 -1.25 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 1wic s ILE 32 CO 0.28 -0.72 0.00 -0.62 -0.10 0.00 0.00 174.94 173.78 1wic n GLU 33 N 0.53 0.00 -0.66 2.79 1.02 -1.26 -4.03 120.64 119.03 1wic n GLU 33 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.85 1wic n GLU 33 Cb 0.59 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.09 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 1.63 3.81 0.00 1.62 7.64 -1.26 -4.85 113.62 122.22 1wic n SER 34 Ca 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1wic n SER 34 Cb 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.25 4.14 3.43 0.23 0.00 -1.26 -4.95 105.19 106.54 1wic n GLY 35 Ca 0.30 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 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 -5.00 3.27 -0.63 1.61 0.41 -1.25 -1.57 118.70 115.54 1wic s GLU 36 Ca 0.00 -1.27 -0.03 0.00 -0.41 0.00 0.00 54.97 53.26 1wic s GLU 36 Cb 0.00 -4.47 -0.04 0.00 -1.78 0.00 0.00 34.13 27.85 1wic s GLU 36 CO 0.00 -1.74 0.55 1.63 -0.49 0.00 0.00 175.26 175.21 1wic n LYS 37 N 6.97 -1.56 -4.63 1.61 5.02 0.02 -4.89 118.16 120.71 1wic n LYS 37 Ca 0.04 0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 56.61 1wic n LYS 37 Cb 0.46 -4.10 -0.14 0.00 -0.02 0.00 0.00 35.03 31.23 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 -3.91 1.23 0.24 1.97 2.36 -1.26 -4.48 119.74 115.89 1wic s LYS 38 Ca 0.25 -0.71 0.09 0.00 -2.55 0.00 0.00 55.97 53.04 1wic s LYS 38 Cb -0.03 -1.24 -0.04 0.00 -1.05 0.00 0.00 37.83 35.46 1wic s LYS 38 CO 0.44 0.33 0.02 -0.08 1.55 0.00 0.00 175.35 177.61 1wic s THR 39 N -0.60 3.67 -0.13 3.43 -1.32 -0.70 -4.05 115.64 115.93 1wic s THR 39 Ca 0.05 -1.69 -0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1wic s THR 39 Cb -0.07 -2.93 0.03 0.00 -1.51 0.00 0.00 72.50 68.02 1wic s THR 39 CO 0.00 -0.29 -0.08 -0.22 -2.21 0.00 0.00 174.62 171.83 1wic s LEU 40 N -3.47 1.38 0.27 9.08 2.96 -1.26 0.74 118.68 128.38 1wic s LEU 40 Ca 0.30 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1wic s LEU 40 Cb -0.07 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.64 1wic s LEU 40 CO 0.20 -0.13 0.57 -0.63 -1.32 0.00 0.00 176.35 175.04 1wic s ILE 41 N 1.66 4.94 -0.03 6.68 1.01 0.31 -4.67 121.20 131.10 1wic s ILE 41 Ca 0.04 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1wic s ILE 41 Cb -0.13 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1wic s ILE 41 CO -0.08 -0.19 -0.18 -0.69 0.00 0.00 0.00 174.94 173.80 1wic s VAL 42 N -1.96 1.42 -0.24 2.92 1.01 0.20 0.23 120.40 123.99 1wic s VAL 42 Ca 0.47 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1wic s VAL 42 Cb -0.11 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.13 1wic s VAL 42 CO 0.25 0.41 -0.07 -0.76 0.00 0.00 0.00 175.10 174.93 1wic s LEU 43 N -0.18 2.77 -0.41 3.92 1.43 -1.10 -0.48 118.68 124.63 1wic s LEU 43 Ca 0.01 -1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 51.73 1wic s LEU 43 Cb -0.09 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1wic s LEU 43 CO 0.01 -0.22 0.37 -0.89 0.23 0.00 0.00 176.35 175.85 1wic s THR 44 N 1.33 5.16 -0.55 5.49 2.01 -1.17 -1.63 115.64 126.28 1wic s THR 44 Ca -0.06 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 1wic s THR 44 Cb -0.19 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1wic s THR 44 CO -0.06 -0.34 1.25 0.21 -0.69 0.00 0.00 174.62 174.99 1wic s ASN 45 N 1.75 6.40 -0.00 3.53 3.84 -0.73 0.06 114.94 129.80 1wic s ASN 45 Ca 0.09 0.25 -0.11 0.00 0.21 0.00 0.00 52.86 53.30 1wic s ASN 45 Cb -0.18 -2.55 -0.32 0.00 -0.55 0.00 0.00 41.25 37.65 1wic s ASN 45 CO 0.12 -1.49 0.85 -0.37 -2.79 0.00 0.00 177.10 173.42 1wic h VAL 46 N 6.24 1.14 -3.22 -5.21 -1.51 -1.81 0.25 116.25 112.12 1wic h VAL 46 Ca -0.25 -2.66 -0.57 0.00 -1.23 0.00 0.00 66.70 61.99 1wic h VAL 46 Cb 1.07 2.89 0.18 0.00 -2.13 0.00 0.00 31.29 33.29 1wic h VAL 46 CO 1.17 0.84 -0.32 0.35 -1.23 0.00 0.00 177.57 178.38 1wic n THR 47 N -3.62 2.16 -0.42 7.19 -2.24 -1.20 -4.60 114.28 111.55 1wic n THR 47 Ca -0.20 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 1wic n THR 47 Cb 1.08 -0.78 0.12 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.65 1.87 -3.72 -0.78 4.01 -1.26 -4.00 118.16 113.63 1wic n LYS 48 Ca 0.11 -1.93 -0.12 0.00 -0.51 0.00 0.00 58.31 55.85 1wic n LYS 48 Cb 0.49 -1.77 -0.10 0.00 -0.51 0.00 0.00 35.03 33.14 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 -0.48 -0.44 0.35 4.39 0.01 -1.26 -4.96 114.94 112.55 1wic s ASN 49 Ca 0.36 0.82 -0.22 0.00 -0.71 0.00 0.00 52.86 53.12 1wic s ASN 49 Cb 0.31 0.79 -0.15 0.00 0.41 0.00 0.00 41.25 42.60 1wic s ASN 49 CO 0.07 -0.16 0.16 -0.38 -1.51 0.00 0.00 177.10 175.29 1wic n ILE 50 N 3.34 0.87 -3.80 0.60 5.41 -1.26 -4.57 119.36 119.96 1wic n ILE 50 Ca -0.17 -0.48 -0.20 0.00 1.00 0.00 0.00 62.75 62.90 1wic n ILE 50 Cb 0.56 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.32 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 -1.48 0.15 -0.21 1.39 1.01 -1.05 -0.17 120.40 120.04 1wic s VAL 51 Ca 0.58 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 1wic s VAL 51 Cb -0.67 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1wic s VAL 51 CO 0.59 0.19 0.96 0.00 0.00 0.00 0.00 175.10 176.85 1wic s ALA 52 N 1.69 3.62 0.31 5.51 0.00 -0.33 -0.74 121.76 131.82 1wic s ALA 52 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1wic s ALA 52 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1wic s ALA 52 CO -0.03 -0.91 0.14 -0.59 0.00 0.00 0.00 175.76 174.37 1wic s PHE 53 N 2.82 2.79 0.04 0.00 -0.12 0.02 -1.31 117.98 122.22 1wic s PHE 53 Ca 0.42 -0.29 -0.25 0.00 -0.05 0.00 0.00 56.93 56.76 1wic s PHE 53 Cb -0.16 -1.52 0.06 0.00 -0.63 0.00 0.00 43.02 40.77 1wic s PHE 53 CO 0.09 0.41 0.57 0.15 -0.05 0.00 0.00 175.22 176.40 1wic s LYS 54 N -3.82 1.07 -0.06 1.99 1.02 -0.07 -3.15 119.74 116.72 1wic s LYS 54 Ca 0.36 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.22 1wic s LYS 54 Cb -0.05 0.50 0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1wic s LYS 54 CO 0.23 -0.39 -0.03 0.08 -0.92 0.00 0.00 175.35 174.32 1wic s VAL 55 N -2.27 0.53 0.24 3.17 1.01 -1.26 0.15 120.40 121.98 1wic s VAL 55 Ca -0.06 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wic s VAL 55 Cb -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1wic s VAL 55 CO -0.00 0.26 0.01 0.00 0.00 0.00 0.00 175.10 175.36 1wic s ARG 56 N 1.42 1.38 0.32 2.72 1.04 0.65 -4.88 118.95 121.60 1wic s ARG 56 Ca -0.03 -1.71 -0.08 0.00 -1.04 0.00 0.00 55.73 52.87 1wic s ARG 56 Cb -0.13 -0.63 0.01 0.00 -2.04 0.00 0.00 34.95 32.15 1wic s ARG 56 CO -0.03 -0.11 0.54 -0.08 -0.04 0.00 0.00 175.30 175.58 1wic s THR 57 N -3.42 0.00 -0.59 4.99 -1.32 -1.26 0.24 115.64 114.28 1wic s THR 57 Ca 0.30 -1.42 0.05 0.00 -1.21 0.00 0.00 61.69 59.41 1wic s THR 57 Cb 0.06 -2.56 0.34 0.00 -1.51 0.00 0.00 72.50 68.83 1wic s THR 57 CO 0.10 0.00 1.10 0.35 -2.21 0.00 0.00 174.62 173.96 1wic n THR 58 N -0.50 1.32 -2.73 5.08 -2.24 -1.21 -4.26 114.28 109.74 1wic n THR 58 Ca -0.02 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 1wic n THR 58 Cb 0.61 -0.47 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.18 -2.24 1.50 6.98 0.00 -1.26 -4.98 120.51 120.69 1wic n ALA 59 Ca 0.14 -0.90 0.03 0.00 0.00 0.00 0.00 53.44 52.71 1wic n ALA 59 Cb 0.72 -1.97 0.19 0.00 0.00 0.00 0.00 19.45 18.39 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 2.15 0.75 -0.24 0.00 -0.04 -1.26 -2.14 135.00 134.22 1wic n PRO 60 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1wic n PRO 60 Cb 0.62 -1.13 0.11 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.63 0.95 0.00 0.54 0.28 -1.26 -4.75 120.64 115.77 1wic n GLU 61 Ca 0.05 -2.22 0.00 0.00 -0.16 0.00 0.00 57.16 54.83 1wic n GLU 61 Cb 0.02 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 31.67 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 -1.02 0.00 -3.76 3.44 5.02 -0.91 -5.01 118.16 115.92 1wic n LYS 62 Ca 0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1wic n LYS 62 Cb 0.67 -0.26 -0.13 0.00 -0.02 0.00 0.00 35.03 35.29 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 -1.82 3.09 -0.24 2.13 2.02 -0.98 -0.73 117.35 120.82 1wic s TYR 63 Ca 0.00 -0.59 -0.25 0.00 -0.37 0.00 0.00 57.07 55.86 1wic s TYR 63 Cb 0.00 -2.24 -0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1wic s TYR 63 CO 0.00 -0.43 0.83 0.50 -1.57 0.00 0.00 175.55 174.88 1wic s ARG 64 N 1.58 4.18 -0.11 -0.62 3.52 0.02 -4.73 118.95 122.79 1wic s ARG 64 Ca 0.05 0.94 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 1wic s ARG 64 Cb -0.16 -3.65 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1wic s ARG 64 CO 0.03 -0.53 -0.16 0.08 -0.81 0.00 0.00 175.30 173.91 1wic s VAL 65 N 2.86 2.81 -0.28 7.11 1.01 -1.26 -1.90 120.40 130.75 1wic s VAL 65 Ca 0.35 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1wic s VAL 65 Cb -0.15 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.18 1wic s VAL 65 CO 0.07 0.55 0.77 -0.75 0.00 0.00 0.00 175.10 175.74 1wic s LYS 66 N 0.12 0.69 0.12 2.72 2.20 -0.92 -3.39 119.74 121.29 1wic s LYS 66 Ca -0.08 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 1wic s LYS 66 Cb -0.15 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1wic s LYS 66 CO 0.05 -0.12 1.14 -1.25 -0.36 0.00 0.00 175.35 174.81 1wic s PRO 67 N 1.04 4.52 -0.46 4.03 0.04 -1.25 -0.09 135.00 142.83 1wic s PRO 67 Ca -0.05 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1wic s PRO 67 Cb -0.05 -3.31 0.44 0.00 0.04 0.00 0.00 34.50 31.62 1wic s PRO 67 CO -0.11 -0.08 1.47 -1.13 0.04 0.00 0.00 177.00 177.20 1wic n SER 68 N 3.07 5.86 0.00 6.66 3.41 -1.22 -4.74 113.62 126.66 1wic n SER 68 Ca 0.05 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 1wic n SER 68 Cb 0.46 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.71 0.00 -0.93 4.04 6.94 -1.26 -4.58 115.26 118.75 1wic n ASN 69 Ca 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 1wic n ASN 69 Cb 0.77 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1wic n SER 70 N 0.00 0.00 -4.22 0.53 2.88 -1.19 -5.06 113.62 106.56 1wic n SER 70 Ca 0.00 -0.93 -0.14 0.00 -1.33 0.00 0.00 58.87 56.46 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 -0.94 -1.23 0.00 0.00 175.04 172.87 1wic s SER 71 N -0.80 1.66 -0.14 -3.46 1.04 -1.26 -0.80 113.70 109.94 1wic s SER 71 Ca 0.00 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.50 1wic s SER 71 Cb 0.00 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1wic s SER 71 CO 0.00 -0.32 -0.21 0.00 0.98 0.00 0.00 173.24 173.70 1wic s ASP 73 N 0.81 2.32 0.25 0.00 1.11 -1.26 -2.53 116.67 117.38 1wic s ASP 73 Ca -0.07 2.00 -0.30 0.00 0.18 0.00 0.00 52.55 54.37 1wic s ASP 73 Cb -0.15 -2.50 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 1wic s ASP 73 CO -0.02 -3.45 1.09 -2.16 1.18 0.00 0.00 175.17 171.82 1wic s PRO 74 N -4.59 4.65 -0.96 8.23 0.04 -1.26 -3.31 135.00 137.79 1wic s PRO 74 Ca 0.67 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 1wic s PRO 74 Cb -0.23 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wic s PRO 74 CO 0.60 0.21 0.40 0.41 0.04 0.00 0.00 177.00 178.66 1wic n GLY 75 N 1.41 -0.06 2.84 0.56 0.00 0.87 -4.99 105.19 105.81 1wic n GLY 75 Ca -0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.96 0.62 -3.39 4.61 0.00 -1.21 -4.99 120.51 113.19 1wic n ALA 76 Ca -0.07 -1.73 -0.13 0.00 0.00 0.00 0.00 53.44 51.51 1wic n ALA 76 Cb 0.57 1.37 -0.14 0.00 0.00 0.00 0.00 19.45 21.26 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 -3.07 -0.08 0.40 0.00 1.04 -1.26 -1.76 113.70 108.98 1wic s SER 77 Ca 0.33 0.21 0.08 0.00 0.48 0.00 0.00 55.95 57.05 1wic s SER 77 Cb 0.02 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1wic s SER 77 CO 0.24 -0.09 0.41 -0.51 0.98 0.00 0.00 173.24 174.27 1wic s ILE 78 N 0.64 2.89 -0.12 -1.02 2.07 -0.65 -4.91 121.20 120.10 1wic s ILE 78 Ca -0.05 -1.26 -0.00 0.00 -1.41 0.00 0.00 60.65 57.93 1wic s ILE 78 Cb -0.07 -3.04 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1wic s ILE 78 CO -0.03 -0.03 -0.09 -1.81 -1.91 0.00 0.00 174.94 171.07 1wic s ASP 79 N -4.16 2.34 -0.34 4.50 1.01 -1.26 -2.72 116.67 116.05 1wic s ASP 79 Ca 0.49 -0.37 -0.00 0.00 0.71 0.00 0.00 52.55 53.38 1wic s ASP 79 Cb -0.05 -0.94 0.08 0.00 1.01 0.00 0.00 42.92 43.02 1wic s ASP 79 CO 0.29 -0.10 0.06 -0.63 0.21 0.00 0.00 175.17 175.00 1wic s ILE 80 N 1.64 2.81 0.38 0.77 -1.09 0.14 -3.83 121.20 122.03 1wic s ILE 80 Ca 0.05 -1.85 -0.24 0.00 -2.23 0.00 0.00 60.65 56.38 1wic s ILE 80 Cb -0.13 -2.82 -0.10 0.00 -1.58 0.00 0.00 42.46 37.83 1wic s ILE 80 CO -0.09 -0.39 0.99 -0.63 -1.23 0.00 0.00 174.94 173.59 1wic s ILE 81 N 1.12 4.05 -0.31 2.92 1.09 0.87 0.11 121.20 131.04 1wic s ILE 81 Ca 0.02 1.53 -0.02 0.00 -1.10 0.00 0.00 60.65 61.08 1wic s ILE 81 Cb -0.21 -3.77 0.11 0.00 -1.06 0.00 0.00 42.46 37.53 1wic s ILE 81 CO -0.04 -0.03 0.14 -0.69 -0.10 0.00 0.00 174.94 174.21 1wic s VAL 82 N -1.78 0.34 -0.16 2.92 1.01 0.23 -2.15 120.40 120.81 1wic s VAL 82 Ca 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1wic s VAL 82 Cb -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1wic s VAL 82 CO 0.23 -0.75 -0.16 -0.94 0.00 0.00 0.00 175.10 173.47 1wic s SER 83 N 1.72 3.57 1.04 3.32 1.04 -0.80 -1.72 113.70 121.87 1wic s SER 83 Ca 0.11 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 1wic s SER 83 Cb -0.18 -1.55 0.21 0.00 0.10 0.00 0.00 66.02 64.61 1wic s SER 83 CO -0.26 0.07 1.20 -2.16 0.98 0.00 0.00 173.24 173.06 1wic s PRO 84 N 0.93 0.10 -0.24 4.02 0.04 -1.26 -0.80 135.00 137.78 1wic s PRO 84 Ca -0.03 -0.10 -0.28 0.00 0.04 0.00 0.00 61.00 60.62 1wic s PRO 84 Cb -0.15 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wic s PRO 84 CO -0.02 -2.83 2.03 -1.01 0.04 0.00 0.00 177.00 175.21 1wic s HIS 85 N -3.41 1.44 -0.96 0.56 3.76 0.09 -4.77 115.29 112.00 1wic s HIS 85 Ca 0.70 0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 55.94 1wic s HIS 85 Cb -0.09 -4.02 -0.28 0.00 1.11 0.00 0.00 32.58 29.31 1wic s HIS 85 CO 0.54 -3.75 2.33 0.41 -0.85 0.00 0.00 174.74 173.42 1wic n GLY 86 N 5.50 -0.43 0.00 -2.22 0.00 -1.26 -1.65 105.19 105.12 1wic n GLY 86 Ca 0.26 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 5.91 1.19 0.20 -0.02 0.00 -1.26 -5.12 105.19 106.08 1wic n GLY 87 Ca 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.58 0.99 -0.00 -0.66 -5.07 117.00 107.69 1wic n LEU 88 Ca 0.00 -0.06 -0.27 0.00 -0.00 0.00 0.00 56.01 55.68 1wic n LEU 88 Cb 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.28 1wic n LEU 88 CO 0.00 -1.54 -0.21 0.28 -0.00 0.00 0.00 177.39 175.92 1wic s THR 89 N -1.07 0.80 -2.36 1.47 -1.32 -1.26 -4.82 115.64 107.08 1wic s THR 89 Ca 0.04 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.75 1wic s THR 89 Cb -0.01 -2.33 0.43 0.00 -1.51 0.00 0.00 72.50 69.08 1wic s THR 89 CO 0.03 0.00 1.39 1.33 -2.21 0.00 0.00 174.62 175.17 1wic n VAL 90 N -0.99 0.54 -0.01 5.08 0.24 -1.26 -4.93 118.33 117.00 1wic n VAL 90 Ca -0.09 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1wic n VAL 90 Cb 0.66 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 1wic n VAL 90 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wic n SER 91 N 1.46 -0.00 -0.20 -1.34 7.64 -1.26 -3.88 113.62 116.03 1wic n SER 91 Ca 0.19 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.12 1wic n SER 91 Cb 0.60 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.86 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 1.63 2.05 -0.02 -0.43 0.00 -1.26 -4.67 120.51 117.80 1wic n ALA 92 Ca 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 53.44 51.71 1wic n ALA 92 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.73 1.29 -1.76 0.00 1.13 -1.26 -4.96 117.38 111.08 1wic n GLN 93 Ca 0.08 -0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 1wic n GLN 93 Cb 0.61 -1.20 -0.00 0.00 0.11 0.00 0.00 30.24 29.75 1wic n GLN 93 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wic n ASP 94 N -2.01 3.74 -4.18 1.08 2.03 -1.25 -5.00 116.55 110.95 1wic n ASP 94 Ca -0.06 1.21 -0.24 0.00 0.52 0.00 0.00 54.79 56.22 1wic n ASP 94 Cb 0.45 -1.61 -0.15 0.00 -0.72 0.00 0.00 41.12 39.10 1wic n ASP 94 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wic s ARG 95 N -1.82 1.31 0.01 -0.67 6.06 -1.26 -4.48 118.95 118.10 1wic s ARG 95 Ca 0.55 -0.74 0.07 0.00 -2.50 0.00 0.00 55.73 53.11 1wic s ARG 95 Cb -0.49 -1.33 -0.03 0.00 0.06 0.00 0.00 34.95 33.17 1wic s ARG 95 CO 0.61 0.35 -0.20 -0.06 -2.50 0.00 0.00 175.30 173.51 1wic s PHE 96 N -0.60 2.52 0.06 5.12 0.08 -0.48 -3.33 117.98 121.35 1wic s PHE 96 Ca 0.06 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.88 1wic s PHE 96 Cb -0.07 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1wic s PHE 96 CO 0.00 0.17 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.96 1wic s LEU 97 N -1.11 2.22 -0.03 -0.37 1.98 0.14 0.20 118.68 121.70 1wic s LEU 97 Ca 0.13 -0.54 0.01 0.00 -2.89 0.00 0.00 54.13 50.83 1wic s LEU 97 Cb -0.10 -0.69 0.02 0.00 0.66 0.00 0.00 46.19 46.07 1wic s LEU 97 CO 0.03 0.03 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.85 1wic s ILE 98 N -0.99 0.43 0.16 6.68 1.01 0.24 -0.25 121.20 128.48 1wic s ILE 98 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1wic s ILE 98 Cb -0.09 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1wic s ILE 98 CO 0.02 0.19 0.08 -0.04 0.00 0.00 0.00 174.94 175.19 1wic s MET 99 N 0.77 2.69 -0.30 2.79 -1.94 0.41 -0.09 119.30 123.64 1wic s MET 99 Ca -0.09 -0.95 -0.09 0.00 -1.71 0.00 0.00 55.69 52.84 1wic s MET 99 Cb -0.13 -2.53 0.15 0.00 2.01 0.00 0.00 34.83 34.33 1wic s MET 99 CO -0.00 0.48 0.69 0.00 -0.01 0.00 0.00 175.02 176.17 1wic s ALA 100 N -1.71 -2.20 -0.05 3.03 0.00 -0.64 -0.89 121.76 119.30 1wic s ALA 100 Ca 0.29 2.19 0.03 0.00 0.00 0.00 0.00 51.96 54.47 1wic s ALA 100 Cb -0.10 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1wic s ALA 100 CO 0.21 -1.03 -0.13 0.00 0.00 0.00 0.00 175.76 174.81 1wic s ALA 101 N 2.84 1.24 -0.06 0.00 0.00 -0.43 0.19 121.76 125.54 1wic s ALA 101 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1wic s ALA 101 Cb -0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1wic s ALA 101 CO -0.19 0.17 1.49 -2.00 0.00 0.00 0.00 175.76 175.23 1wic s GLU 102 N 0.36 4.22 0.73 0.00 2.12 -1.26 -1.18 118.70 123.69 1wic s GLU 102 Ca -0.09 2.00 -0.07 0.00 0.36 0.00 0.00 54.97 57.18 1wic s GLU 102 Cb -0.13 -3.81 0.08 0.00 0.26 0.00 0.00 34.13 30.53 1wic s GLU 102 CO 0.02 -0.74 1.05 -1.64 -0.54 0.00 0.00 175.26 173.41 1wic s MET 103 N 3.43 1.99 0.03 4.30 -1.94 0.75 -4.94 119.30 122.93 1wic s MET 103 Ca 0.66 -0.34 -0.01 0.00 -1.71 0.00 0.00 55.69 54.30 1wic s MET 103 Cb -0.30 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1wic s MET 103 CO 0.25 -1.38 0.04 0.39 -0.01 0.00 0.00 175.02 174.31 1wic n GLU 104 N -3.01 0.01 0.00 2.03 -0.58 -1.26 -4.61 120.64 113.22 1wic n GLU 104 Ca 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1wic n GLU 104 Cb 0.60 -0.04 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 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 -1.09 0.00 -2.58 3.49 1.13 -1.26 -4.40 117.38 112.67 1wic n GLN 105 Ca 0.01 0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 1wic n GLN 105 Cb 0.02 -0.80 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.52 7.09 -0.29 1.08 0.01 -1.26 -4.80 113.70 113.00 1wic s SER 106 Ca 0.00 1.56 0.02 0.00 1.31 0.00 0.00 55.95 58.83 1wic s SER 106 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.77 1wic s SER 106 CO 0.00 -0.63 0.01 -0.44 0.41 0.00 0.00 173.24 172.59 1wic s SER 107 N 1.41 4.26 0.66 2.44 0.01 -1.26 -4.96 113.70 116.25 1wic s SER 107 Ca 0.49 -1.64 0.27 0.00 1.31 0.00 0.00 55.95 56.38 1wic s SER 107 Cb -0.19 -1.29 1.46 0.00 0.21 0.00 0.00 66.02 66.22 1wic s SER 107 CO 0.13 -0.32 1.82 1.23 0.41 0.00 0.00 173.24 176.51 1wic h GLY 108 N 7.85 0.00 -6.90 3.44 0.00 -1.95 -3.44 103.07 102.07 1wic h GLY 108 Ca -0.12 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.65 1wic h GLY 108 CO 0.47 0.00 -0.88 -1.30 0.00 0.00 0.00 176.54 174.83 1wic n THR 109 N -2.84 -1.10 -3.87 4.70 -2.24 -1.26 -4.91 114.28 102.77 1wic n THR 109 Ca -0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1wic n THR 109 Cb 0.44 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.38 4.67 0.14 3.38 0.00 -1.26 -4.93 105.19 104.80 1wic n GLY 110 Ca -0.27 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.97 -2.71 132.00 129.06 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 0.61 -0.09 0.00 -0.23 0.00 0.00 178.00 178.29 1wic h ALA 112 N 1.39 0.00 -0.91 -0.56 0.00 -1.97 -3.09 119.26 114.12 1wic h ALA 112 Ca -0.01 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.91 1wic h ALA 112 Cb 1.22 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1wic h ALA 112 CO 0.08 0.09 -0.03 0.39 0.00 0.00 0.00 179.25 179.77 1wic n GLU 113 N -2.76 -0.07 0.21 0.00 -0.58 -1.26 0.88 120.64 117.06 1wic n GLU 113 Ca -0.01 1.38 -0.08 0.00 -0.42 0.00 0.00 57.16 58.03 1wic n GLU 113 Cb 0.04 -2.17 -0.04 0.00 -0.57 0.00 0.00 31.44 28.71 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 -0.45 -1.63 -4.62 3.38 -1.67 1.52 115.31 111.84 1wic h LEU 114 Ca 0.53 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.89 1wic h LEU 114 Cb 1.04 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 1wic h LEU 114 CO -0.88 -0.32 0.86 -1.28 0.09 0.00 0.00 178.44 176.91 1wic h SER 115 N -0.53 0.21 0.84 -0.43 0.87 -0.70 2.42 113.55 116.23 1wic h SER 115 Ca -0.05 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.33 1wic h SER 115 Cb 0.41 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1wic h SER 115 CO 0.09 -0.03 -1.11 1.56 -0.53 0.00 0.00 176.83 176.81 1wic h GLN 116 N 0.14 0.12 0.00 2.24 4.20 0.99 -0.90 115.11 121.90 1wic h GLN 116 Ca 0.69 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1wic h GLN 116 Cb 2.30 0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.15 1wic h GLN 116 CO -0.22 1.09 -0.39 0.35 -0.67 0.00 0.00 178.83 178.99 1wic h PHE 117 N 0.03 0.00 0.00 2.96 3.57 1.39 -2.04 116.94 122.85 1wic h PHE 117 Ca -0.07 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.23 1wic h PHE 117 Cb 1.86 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.56 1wic h PHE 117 CO 0.03 0.00 -1.64 0.91 -2.23 0.00 0.00 178.31 175.38 1wic n TRP 118 N -2.72 0.77 0.13 0.41 7.02 0.68 -1.61 117.44 122.11 1wic n TRP 118 Ca 0.03 0.26 0.05 0.00 -1.02 0.00 0.00 57.50 56.82 1wic n TRP 118 Cb 0.51 -1.04 0.03 0.00 -2.42 0.00 0.00 31.31 28.38 1wic n TRP 118 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1wic h LYS 119 N 0.00 0.00 0.09 -0.99 5.09 -1.18 -3.34 116.57 116.24 1wic h LYS 119 Ca -0.22 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.16 1wic h LYS 119 Cb 1.69 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.99 1wic h LYS 119 CO 0.04 0.29 -2.00 0.39 -2.09 0.00 0.00 179.45 176.08 1wic n GLU 120 N -3.05 0.71 -2.12 0.07 1.02 -0.77 -4.85 120.64 111.65 1wic n GLU 120 Ca -0.00 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 1wic n GLU 120 Cb 0.69 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.53 3.77 0.91 2.62 0.11 -0.64 -4.99 120.40 119.65 1wic s VAL 121 Ca -0.26 0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 1wic s VAL 121 Cb 0.07 -3.61 0.14 0.00 -1.53 0.00 0.00 36.38 31.44 1wic s VAL 121 CO 0.71 -0.10 1.14 -2.16 -3.33 0.00 0.00 175.10 171.35 1wic s PRO 122 N 3.98 1.15 0.00 1.54 0.04 -1.26 -4.80 135.00 135.65 1wic s PRO 122 Ca 0.69 0.29 0.26 0.00 0.04 0.00 0.00 61.00 62.28 1wic s PRO 122 Cb -0.30 -1.84 1.57 0.00 0.04 0.00 0.00 34.50 33.98 1wic s PRO 122 CO 0.26 -2.19 1.95 2.89 0.04 0.00 0.00 177.00 179.95 1wic n ARG 123 N -3.76 0.88 -0.00 4.56 0.00 -1.26 -1.85 116.66 115.23 1wic n ARG 123 Ca 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.02 1wic n ARG 123 Cb 0.59 -1.47 -0.14 0.00 -0.00 0.00 0.00 32.46 31.45 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 -0.97 0.64 -0.06 2.89 2.85 -1.26 -4.26 115.26 115.09 1wic n ASN 124 Ca 0.20 -0.60 -0.03 0.00 -0.11 0.00 0.00 54.58 54.04 1wic n ASN 124 Cb 0.09 1.38 -0.13 0.00 1.24 0.00 0.00 39.78 42.36 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 -1.78 1.12 -3.63 1.20 4.76 -0.93 -4.95 118.16 113.95 1wic n LYS 125 Ca 0.01 -0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.02 1wic n LYS 125 Cb 0.41 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.64 5.20 0.52 -0.18 0.11 -0.77 -4.50 120.40 118.14 1wic s VAL 126 Ca -0.07 0.61 -0.14 0.00 -2.93 0.00 0.00 61.98 59.45 1wic s VAL 126 Cb 0.07 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.25 1wic s VAL 126 CO 0.67 0.58 0.95 -0.32 -3.33 0.00 0.00 175.10 173.66 1wic s MET 127 N -1.09 3.82 -0.14 1.54 1.75 0.50 -4.79 119.30 120.88 1wic s MET 127 Ca 0.21 0.78 -0.04 0.00 -1.25 0.00 0.00 55.69 55.39 1wic s MET 127 Cb -0.15 -2.18 0.06 0.00 2.84 0.00 0.00 34.83 35.40 1wic s MET 127 CO 0.10 -0.30 0.14 -1.21 -0.65 0.00 0.00 175.02 173.11 1wic s GLU 128 N -4.33 0.08 -0.13 4.11 2.02 -1.26 -1.61 118.70 117.58 1wic s GLU 128 Ca 0.56 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.81 1wic s GLU 128 Cb -0.10 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.05 1wic s GLU 128 CO 0.37 -0.53 -0.23 -1.58 0.02 0.00 0.00 175.26 173.32 1wic s HIS 129 N 2.24 2.64 -0.23 1.61 2.46 0.88 -4.93 115.29 119.96 1wic s HIS 129 Ca 0.04 -1.26 -0.12 0.00 0.47 0.00 0.00 55.06 54.19 1wic s HIS 129 Cb -0.14 -1.78 -0.05 0.00 -0.13 0.00 0.00 32.58 30.48 1wic s HIS 129 CO -0.08 -0.56 0.23 1.03 -2.47 0.00 0.00 174.74 172.89 1wic s ARG 130 N 0.67 4.10 -0.03 2.88 3.00 -1.26 0.82 118.95 129.13 1wic s ARG 130 Ca -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 55.73 55.45 1wic s ARG 130 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 34.95 31.21 1wic s ARG 130 CO 0.01 0.04 0.19 -0.51 0.00 0.00 0.00 175.30 175.03 1wic s LEU 131 N 1.11 4.38 0.19 2.53 1.43 0.54 -4.80 118.68 124.06 1wic s LEU 131 Ca 0.11 0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 1wic s LEU 131 Cb -0.14 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1wic s LEU 131 CO 0.05 0.30 -0.11 0.00 0.23 0.00 0.00 176.35 176.82 1wic s ARG 132 N -1.68 1.99 0.11 1.70 1.70 -1.26 -1.38 118.95 120.12 1wic s ARG 132 Ca 0.24 -1.32 -0.13 0.00 -0.47 0.00 0.00 55.73 54.05 1wic s ARG 132 Cb -0.13 -2.11 -0.06 0.00 -0.57 0.00 0.00 34.95 32.08 1wic s ARG 132 CO 0.15 0.42 0.49 0.00 -1.08 0.00 0.00 175.30 175.28 1wic n HIS 134 N 0.92 3.47 -1.88 0.00 8.25 0.39 -4.70 115.22 121.67 1wic n HIS 134 Ca -0.07 -3.98 0.00 0.00 -0.26 0.00 0.00 57.72 53.41 1wic n HIS 134 Cb 0.52 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wic n THR 135 N 1.12 0.00 -3.65 1.59 -2.24 -1.26 -4.81 114.28 105.02 1wic n THR 135 Ca 0.28 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1wic n THR 135 Cb 0.39 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 2.12 -0.80 -0.27 2.28 0.11 -1.26 -5.11 120.40 117.47 1wic s VAL 136 Ca 0.00 0.05 -0.35 0.00 -2.93 0.00 0.00 61.98 58.75 1wic s VAL 136 Cb 0.00 -0.90 0.16 0.00 -1.53 0.00 0.00 36.38 34.11 1wic s VAL 136 CO 0.00 0.02 1.34 -1.83 -3.33 0.00 0.00 175.10 171.30 1wic s GLU 137 N 2.68 0.09 0.06 1.54 4.04 -1.26 -5.11 118.70 120.74 1wic s GLU 137 Ca -0.05 -0.02 -0.27 0.00 0.04 0.00 0.00 54.97 54.67 1wic s GLU 137 Cb -0.11 0.04 0.09 0.00 0.02 0.00 0.00 34.13 34.16 1wic s GLU 137 CO -0.17 -0.04 0.85 -1.54 -1.84 0.00 0.00 175.26 172.53 1wic s SER 138 N -1.74 -0.35 0.00 0.83 1.04 -1.26 -5.04 113.70 107.18 1wic s SER 138 Ca 0.10 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wic s SER 138 Cb -0.01 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1wic s SER 138 CO -0.04 -0.75 0.00 -0.24 0.98 0.00 0.00 173.24 173.19 1wic n SER 139 N -0.32 0.00 -1.74 7.02 2.88 -1.26 -5.15 113.62 115.06 1wic n SER 139 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1wic n SER 139 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1wic n SER 139 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wic n LYS 140 N 0.00 -4.84 -0.37 -1.46 4.76 -1.26 -5.00 118.16 109.99 1wic n LYS 140 Ca 0.00 3.49 -0.07 0.00 -2.87 0.00 0.00 58.31 58.85 1wic n LYS 140 Cb 0.00 -3.82 0.06 0.00 -1.84 0.00 0.00 35.03 29.42 1wic n LYS 140 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1wic n PRO 141 N 0.61 -0.93 -2.28 1.97 -0.04 -1.26 -5.04 135.00 128.03 1wic n PRO 141 Ca 0.00 -0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 62.68 1wic n PRO 141 Cb 0.00 -0.38 -0.01 0.00 -0.04 0.00 0.00 33.50 33.08 1wic n PRO 141 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wic s ASN 142 N -2.23 6.34 -0.28 3.54 -0.87 -1.26 -5.08 114.94 115.09 1wic s ASN 142 Ca 0.18 1.28 -0.28 0.00 -1.57 0.00 0.00 52.86 52.48 1wic s ASN 142 Cb -0.01 -2.40 0.19 0.00 -0.02 0.00 0.00 41.25 39.01 1wic s ASN 142 CO 0.13 -0.69 1.36 -0.55 -2.57 0.00 0.00 177.10 174.78 1wic s SER 143 N -3.86 -0.07 -0.48 -1.22 0.15 -1.26 -5.10 113.70 101.86 1wic s SER 143 Ca 0.53 0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1wic s SER 143 Cb -0.11 0.09 0.18 0.00 -1.71 0.00 0.00 66.02 64.47 1wic s SER 143 CO 0.45 -0.05 0.39 -0.11 1.20 0.00 0.00 173.24 175.12 1wic n LEU 144 N 0.93 0.35 -3.64 3.45 -0.00 -1.26 -5.08 117.00 111.76 1wic n LEU 144 Ca -0.04 -4.58 -0.08 0.00 -0.00 0.00 0.00 56.01 51.30 1wic n LEU 144 Cb 0.58 0.26 -0.07 0.00 -0.00 0.00 0.00 43.42 44.19 1wic n LEU 144 CO 0.05 1.85 0.74 -0.04 -0.00 0.00 0.00 177.39 180.00 1wic s MET 145 N -0.38 0.47 -0.12 1.96 -1.94 -1.26 -5.14 119.30 112.90 1wic s MET 145 Ca 0.32 0.60 -0.26 0.00 -1.71 0.00 0.00 55.69 54.64 1wic s MET 145 Cb 0.03 0.21 -0.02 0.00 2.01 0.00 0.00 34.83 37.06 1wic s MET 145 CO -0.19 -0.06 0.83 -0.51 -0.01 0.00 0.00 175.02 175.08 1wic s LEU 146 N 0.42 4.24 0.00 -0.03 1.02 -1.26 -4.99 118.68 118.09 1wic s LEU 146 Ca 0.01 1.26 0.00 0.00 0.02 0.00 0.00 54.13 55.43 1wic s LEU 146 Cb -0.05 -3.26 0.00 0.00 0.02 0.00 0.00 46.19 42.90 1wic s LEU 146 CO -0.08 -0.31 0.00 -0.24 0.02 0.00 0.00 176.35 175.74 1wic n SER 147 N 4.66 0.00 0.00 2.29 2.88 -1.26 -5.15 113.62 117.04 1wic n SER 147 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wic n SER 147 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 2.86 3.57 0.46 0.00 -1.26 -5.06 105.19 105.76 1wic n GLY 148 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.63 3.23 1.02 1.61 0.04 -1.26 -4.99 135.00 133.03 1wic s PRO 149 Ca 0.00 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 1wic s PRO 149 Cb 0.00 -4.16 0.20 0.00 0.04 0.00 0.00 34.50 30.59 1wic s PRO 149 CO 0.00 -2.01 1.08 0.45 0.04 0.00 0.00 177.00 176.56 1wic s SER 150 N 4.92 2.17 0.53 6.66 0.15 -1.26 -4.78 113.70 122.09 1wic s SER 150 Ca 0.56 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1wic s SER 150 Cb -0.12 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wic s SER 150 CO 0.25 -3.50 0.00 -0.24 1.20 0.00 0.00 173.24 170.95 1wic n SER 151 N -4.47 -8.53 0.00 5.45 2.88 -1.26 -5.31 113.62 102.37 1wic n SER 151 Ca 0.07 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1wic n SER 151 Cb 0.54 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42