#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngy s VAL 2 N 0.00 3.41 -0.07 1.69 1.01 -1.26 -3.97 120.40 121.21 1ngy s VAL 2 Ca 0.00 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 1ngy s VAL 2 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1ngy s VAL 2 CO 0.00 0.10 0.16 -1.10 0.00 0.00 0.00 175.10 174.26 1ngy s GLN 3 N 0.74 0.11 -0.20 2.72 -0.21 0.52 -4.99 119.66 118.35 1ngy s GLN 3 Ca 0.61 0.39 -0.02 0.00 0.02 0.00 0.00 55.36 56.36 1ngy s GLN 3 Cb -0.35 -0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.49 1ngy s GLN 3 CO 0.32 -0.16 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.73 1ngy s LEU 4 N 1.15 2.65 -0.32 2.90 1.43 -1.26 -1.07 118.68 124.15 1ngy s LEU 4 Ca -0.09 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1ngy s LEU 4 Cb -0.11 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.53 1ngy s LEU 4 CO -0.06 -0.01 0.03 -0.22 0.23 0.00 0.00 176.35 176.32 1ngy s LEU 5 N 1.37 4.28 0.63 1.79 2.96 0.41 -4.11 118.68 126.01 1ngy s LEU 5 Ca 0.05 -1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 52.21 1ngy s LEU 5 Cb -0.14 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1ngy s LEU 5 CO -0.06 -0.33 0.98 -1.61 -1.32 0.00 0.00 176.35 174.01 1ngy s GLU 6 N 1.11 2.99 -0.23 1.98 8.01 -1.26 -0.26 118.70 131.05 1ngy s GLU 6 Ca 0.00 0.26 -0.37 0.00 0.01 0.00 0.00 54.97 54.88 1ngy s GLU 6 Cb -0.20 -2.16 0.15 0.00 -4.31 0.00 0.00 34.13 27.60 1ngy s GLU 6 CO -0.04 -0.79 1.28 -1.54 0.01 0.00 0.00 175.26 174.18 1ngy s SER 7 N -4.30 -0.09 0.00 -0.19 1.04 -0.63 -4.93 113.70 104.60 1ngy s SER 7 Ca 0.55 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1ngy s SER 7 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1ngy s SER 7 CO 0.49 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1ngy n GLY 8 N -0.05 2.86 3.64 7.32 0.00 -1.26 -1.25 105.19 116.45 1ngy n GLY 8 Ca 0.02 -1.30 -0.50 0.00 0.00 0.00 0.00 46.02 44.24 1ngy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngy n ALA 9 N -1.42 0.14 0.70 4.61 0.00 -1.26 -4.88 120.51 118.39 1ngy n ALA 9 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 53.44 54.00 1ngy n ALA 9 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.16 1ngy n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ngy n GLU 10 N 3.65 0.20 -4.37 0.00 1.02 -1.26 -4.78 120.64 115.10 1ngy n GLU 10 Ca 0.19 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 57.01 1ngy n GLU 10 Cb 0.23 -1.53 -0.17 0.00 -0.02 0.00 0.00 31.44 29.95 1ngy n GLU 10 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ngy s LEU 11 N -3.54 1.69 -0.02 -4.62 2.96 -1.26 -0.19 118.68 113.70 1ngy s LEU 11 Ca 0.04 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1ngy s LEU 11 Cb 0.15 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1ngy s LEU 11 CO 0.84 -0.00 0.09 -0.69 -1.32 0.00 0.00 176.35 175.27 1ngy s VAL 12 N 1.08 0.04 0.46 1.68 1.01 -0.56 -4.97 120.40 119.15 1ngy s VAL 12 Ca -0.05 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1ngy s VAL 12 Cb -0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 1ngy s VAL 12 CO -0.03 -0.18 1.00 -0.54 0.00 0.00 0.00 175.10 175.35 1ngy s LYS 13 N -0.56 3.99 0.52 2.72 3.01 -1.24 -0.55 119.74 127.62 1ngy s LYS 13 Ca -0.06 1.28 -0.22 0.00 -1.01 0.00 0.00 55.97 55.95 1ngy s LYS 13 Cb -0.04 -2.16 -0.06 0.00 -1.01 0.00 0.00 37.83 34.57 1ngy s LYS 13 CO 0.00 -0.25 1.32 -2.14 0.51 0.00 0.00 175.35 174.78 1ngy s PRO 14 N -3.16 3.34 0.00 -1.68 0.02 -1.26 -2.00 135.00 130.26 1ngy s PRO 14 Ca 0.65 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1ngy s PRO 14 Cb -0.14 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1ngy s PRO 14 CO 0.18 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1ngy n GLY 15 N 0.65 2.74 0.61 0.52 0.00 0.93 -4.88 105.19 105.76 1ngy n GLY 15 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1ngy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngy n ALA 16 N 0.09 -0.08 -2.68 4.61 0.00 -0.85 -4.23 120.51 117.37 1ngy n ALA 16 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 1ngy n ALA 16 Cb 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 1ngy n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ngy s SER 17 N -1.69 1.61 0.00 0.00 0.15 -1.26 -2.09 113.70 110.42 1ngy s SER 17 Ca 0.11 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.25 1ngy s SER 17 Cb -0.00 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1ngy s SER 17 CO 0.07 -0.02 -0.03 0.54 1.20 0.00 0.00 173.24 175.01 1ngy s VAL 18 N -1.03 0.22 -0.24 4.45 0.11 -0.82 -5.00 120.40 118.10 1ngy s VAL 18 Ca -0.00 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1ngy s VAL 18 Cb -0.09 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1ngy s VAL 18 CO 0.02 0.01 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.98 1ngy s LYS 19 N -0.20 3.00 0.24 1.54 2.20 -1.26 -1.10 119.74 124.16 1ngy s LYS 19 Ca -0.00 -0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1ngy s LYS 19 Cb -0.02 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1ngy s LYS 19 CO -0.00 -0.33 0.46 -0.51 -0.36 0.00 0.00 175.35 174.61 1ngy s LEU 20 N 1.37 4.16 0.16 5.43 1.43 0.54 -4.62 118.68 127.15 1ngy s LEU 20 Ca 0.02 0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1ngy s LEU 20 Cb -0.16 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1ngy s LEU 20 CO -0.05 -0.10 -0.12 -0.94 0.23 0.00 0.00 176.35 175.36 1ngy s SER 21 N -3.12 2.12 -0.20 2.29 1.04 -0.38 -1.48 113.70 113.96 1ngy s SER 21 Ca 0.41 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 1ngy s SER 21 Cb -0.11 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.02 1ngy s SER 21 CO 0.29 -0.24 0.10 0.00 0.98 0.00 0.00 173.24 174.38 1ngy s LYS 23 N 2.13 3.99 0.03 0.00 2.20 0.65 -0.86 119.74 127.88 1ngy s LYS 23 Ca 0.04 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1ngy s LYS 23 Cb -0.16 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1ngy s LYS 23 CO -0.17 -0.38 0.27 0.00 -0.36 0.00 0.00 175.35 174.71 1ngy s ALA 24 N 2.28 3.86 0.05 3.13 0.00 -0.10 -0.44 121.76 130.53 1ngy s ALA 24 Ca 0.20 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 1ngy s ALA 24 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.97 1ngy s ALA 24 CO 0.10 0.68 0.48 -1.54 0.00 0.00 0.00 175.76 175.48 1ngy s SER 25 N -1.91 -0.39 0.00 0.00 1.04 -0.23 -4.82 113.70 107.39 1ngy s SER 25 Ca 0.30 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1ngy s SER 25 Cb -0.13 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ngy s SER 25 CO 0.19 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1ngy n GLY 26 N 0.44 0.71 3.64 7.32 0.00 -1.25 -0.36 105.19 115.69 1ngy n GLY 26 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1ngy n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ngy s TYR 27 N -2.76 -0.33 -0.61 1.61 1.13 -1.26 -4.41 117.35 110.72 1ngy s TYR 27 Ca 0.00 0.03 -0.27 0.00 -1.41 0.00 0.00 57.07 55.42 1ngy s TYR 27 Cb 0.00 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 1ngy s TYR 27 CO 0.00 -0.94 1.80 0.99 -2.51 0.00 0.00 175.55 174.88 1ngy s THR 28 N -3.66 3.40 0.29 -3.49 2.01 -1.26 -4.85 115.64 108.09 1ngy s THR 28 Ca 0.07 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1ngy s THR 28 Cb -0.03 -4.03 0.30 0.00 0.01 0.00 0.00 72.50 68.75 1ngy s THR 28 CO -0.03 -0.98 1.68 0.15 -0.69 0.00 0.00 174.62 174.74 1ngy h PHE 29 N 14.37 0.59 0.00 4.92 3.57 -1.94 -0.67 116.94 137.77 1ngy h PHE 29 Ca -0.26 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1ngy h PHE 29 Cb 1.15 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1ngy h PHE 29 CO 1.05 -0.11 0.00 0.25 -2.23 0.00 0.00 178.31 177.27 1ngy n THR 30 N -5.10 0.19 1.19 4.41 -2.24 -1.26 -3.56 114.28 107.91 1ngy n THR 30 Ca 0.23 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 1ngy n THR 30 Cb 0.69 -0.63 0.31 0.00 -2.10 0.00 0.00 70.33 68.61 1ngy n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ngy n SER 31 N -1.31 1.09 -3.98 3.42 7.64 -0.26 -3.98 113.62 116.24 1ngy n SER 31 Ca 0.11 -0.90 -0.15 0.00 1.01 0.00 0.00 58.87 58.94 1ngy n SER 31 Cb 0.21 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 1ngy n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ngy s TYR 32 N -2.56 0.48 0.73 1.43 2.02 -1.23 -5.10 117.35 113.11 1ngy s TYR 32 Ca 0.22 -0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 56.62 1ngy s TYR 32 Cb 0.19 -0.30 0.03 0.00 -0.40 0.00 0.00 41.96 41.48 1ngy s TYR 32 CO 0.55 -0.03 1.08 -1.58 -1.57 0.00 0.00 175.55 174.00 1ngy s TRP 33 N -0.43 2.76 -0.06 2.71 0.52 -1.26 -4.31 118.94 118.87 1ngy s TRP 33 Ca -0.01 1.51 0.05 0.00 0.02 0.00 0.00 56.10 57.67 1ngy s TRP 33 Cb -0.04 -3.01 -0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1ngy s TRP 33 CO -0.00 -1.58 -0.21 -1.64 0.02 0.00 0.00 176.95 173.53 1ngy s MET 34 N -4.80 2.31 0.23 4.98 -1.94 0.11 -0.96 119.30 119.23 1ngy s MET 34 Ca 0.61 -0.76 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 1ngy s MET 34 Cb -0.17 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1ngy s MET 34 CO 0.53 0.27 0.08 -1.01 -0.01 0.00 0.00 175.02 174.88 1ngy s HIS 35 N 0.06 2.92 -0.09 -0.03 3.76 0.21 -0.96 115.29 121.16 1ngy s HIS 35 Ca -0.07 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 1ngy s HIS 35 Cb -0.14 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 32.23 1ngy s HIS 35 CO 0.04 0.55 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.79 1ngy s TRP 36 N -2.06 1.58 0.06 1.40 0.52 -0.67 -1.69 118.94 118.08 1ngy s TRP 36 Ca 0.31 -0.70 0.09 0.00 0.02 0.00 0.00 56.10 55.82 1ngy s TRP 36 Cb -0.08 -1.21 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1ngy s TRP 36 CO 0.22 -0.40 -0.26 0.08 0.02 0.00 0.00 176.95 176.60 1ngy s VAL 37 N 1.09 2.10 0.05 4.03 1.01 -0.06 -0.39 120.40 128.23 1ngy s VAL 37 Ca -0.06 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.54 1ngy s VAL 37 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1ngy s VAL 37 CO -0.02 0.31 -0.03 -0.75 0.00 0.00 0.00 175.10 174.61 1ngy s LYS 38 N -1.34 2.53 -0.19 2.72 2.20 0.16 -1.04 119.74 124.79 1ngy s LYS 38 Ca 0.12 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.85 1ngy s LYS 38 Cb -0.10 -2.52 0.08 0.00 -1.51 0.00 0.00 37.83 33.78 1ngy s LYS 38 CO 0.03 0.57 0.43 -1.14 -0.36 0.00 0.00 175.35 174.87 1ngy s GLN 39 N -1.93 0.36 -0.24 4.03 0.74 -0.48 -0.44 119.66 121.70 1ngy s GLN 39 Ca 0.22 0.98 -0.14 0.00 0.05 0.00 0.00 55.36 56.47 1ngy s GLN 39 Cb -0.11 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1ngy s GLN 39 CO 0.13 -0.22 0.34 1.03 -0.55 0.00 0.00 175.29 176.02 1ngy s ARG 40 N 2.27 4.09 -0.14 1.67 0.52 -1.25 -0.54 118.95 125.55 1ngy s ARG 40 Ca -0.04 0.04 -0.35 0.00 -0.52 0.00 0.00 55.73 54.86 1ngy s ARG 40 Cb -0.11 -3.59 -0.16 0.00 0.52 0.00 0.00 34.95 31.61 1ngy s ARG 40 CO -0.13 -0.12 1.03 -2.30 0.02 0.00 0.00 175.30 173.80 1ngy n PRO 41 N 4.81 0.00 -0.20 3.54 -0.02 -1.26 0.39 135.00 142.26 1ngy n PRO 41 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1ngy n PRO 41 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1ngy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngy n GLY 42 N 1.95 2.28 1.54 -1.23 0.00 -1.26 -4.98 105.19 103.50 1ngy n GLY 42 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1ngy n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngy n ARG 43 N -2.00 1.13 -1.74 1.61 5.12 0.16 -5.14 116.66 115.80 1ngy n ARG 43 Ca 0.00 -1.38 -0.30 0.00 -1.93 0.00 0.00 57.85 54.24 1ngy n ARG 43 Cb 0.00 0.12 0.20 0.00 -1.16 0.00 0.00 32.46 31.63 1ngy n ARG 43 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ngy s GLY 44 N -2.66 1.75 0.00 -0.13 0.00 -1.26 -4.64 107.32 100.37 1ngy s GLY 44 Ca 0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 1ngy s GLY 44 CO 0.09 -0.37 0.21 1.08 0.00 0.00 0.00 173.10 174.11 1ngy s LEU 45 N -6.15 4.37 -0.02 0.66 1.43 -1.26 -3.93 118.68 113.77 1ngy s LEU 45 Ca 0.74 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1ngy s LEU 45 Cb -0.05 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1ngy s LEU 45 CO 0.54 0.25 -0.08 -1.61 0.23 0.00 0.00 176.35 175.68 1ngy s GLU 46 N -1.95 0.79 -0.22 1.70 2.02 0.42 -4.97 118.70 116.49 1ngy s GLU 46 Ca 0.28 -0.25 -0.23 0.00 0.02 0.00 0.00 54.97 54.79 1ngy s GLU 46 Cb -0.13 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 1ngy s GLU 46 CO 0.19 0.10 0.73 -0.46 0.02 0.00 0.00 175.26 175.84 1ngy s TRP 47 N 0.17 3.34 -0.19 1.61 -0.00 -1.26 0.40 118.94 123.01 1ngy s TRP 47 Ca -0.02 1.03 -0.23 0.00 -0.00 0.00 0.00 56.10 56.88 1ngy s TRP 47 Cb -0.07 -2.93 -0.20 0.00 -0.00 0.00 0.00 33.47 30.27 1ngy s TRP 47 CO 0.00 -0.30 0.32 0.82 -0.00 0.00 0.00 176.95 177.79 1ngy h ILE 48 N 5.32 1.07 0.00 5.86 2.04 -1.08 -3.43 117.51 127.30 1ngy h ILE 48 Ca -0.27 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1ngy h ILE 48 Cb 1.12 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1ngy h ILE 48 CO 0.82 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.94 1ngy n GLY 49 N 1.47 -1.32 3.48 5.37 0.00 -1.21 -0.91 105.19 112.07 1ngy n GLY 49 Ca -0.27 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1ngy n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ngy s MET 50 N -0.75 1.35 0.03 1.61 0.23 -0.51 -1.67 119.30 119.58 1ngy s MET 50 Ca 0.00 -1.08 -0.13 0.00 -1.03 0.00 0.00 55.69 53.45 1ngy s MET 50 Cb 0.00 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.77 1ngy s MET 50 CO 0.00 -0.55 0.27 0.96 -2.03 0.00 0.00 175.02 173.67 1ngy s ILE 51 N -3.95 0.08 -0.49 3.16 -4.36 -0.14 -1.96 121.20 113.55 1ngy s ILE 51 Ca 0.16 -0.68 -0.15 0.00 -0.26 0.00 0.00 60.65 59.72 1ngy s ILE 51 Cb 0.01 -0.82 0.10 0.00 1.25 0.00 0.00 42.46 42.99 1ngy s ILE 51 CO 0.02 -0.37 0.42 -0.62 0.24 0.00 0.00 174.94 174.62 1ngy s ASP 52 N -1.85 6.08 0.00 4.36 3.68 -0.63 -0.71 116.67 127.59 1ngy s ASP 52 Ca -0.08 -1.57 0.00 0.00 2.13 0.00 0.00 52.55 53.04 1ngy s ASP 52 Cb -0.02 -2.16 0.00 0.00 -1.45 0.00 0.00 42.92 39.29 1ngy s ASP 52 CO -0.01 -0.72 0.33 -2.65 0.13 0.00 0.00 175.17 172.25 1ngy n PRO 53 N 5.17 0.00 -0.11 4.34 -0.02 -1.26 -0.66 135.00 142.46 1ngy n PRO 53 Ca -0.12 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.13 1ngy n PRO 53 Cb 0.42 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.44 1ngy n PRO 53 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ngy n ASN 54 N -0.82 1.60 -0.10 2.55 4.05 -1.26 -4.58 115.26 116.71 1ngy n ASN 54 Ca 0.00 0.28 -0.23 0.00 0.45 0.00 0.00 54.58 55.07 1ngy n ASN 54 Cb 0.00 -0.66 -0.12 0.00 1.23 0.00 0.00 39.78 40.23 1ngy n ASN 54 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1ngy n SER 55 N -4.03 1.98 0.00 1.20 3.41 -0.96 -5.00 113.62 110.22 1ngy n SER 55 Ca -0.40 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1ngy n SER 55 Cb 0.77 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1ngy n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngy n GLY 56 N 1.73 0.92 3.77 5.00 0.00 0.17 -5.05 105.19 111.73 1ngy n GLY 56 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1ngy n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ngy s GLY 57 N -0.67 2.76 0.02 -0.02 0.00 -1.26 -4.72 107.32 103.43 1ngy s GLY 57 Ca 0.00 1.54 0.05 0.00 0.00 0.00 0.00 44.72 46.31 1ngy s GLY 57 CO 0.00 2.29 -0.15 -0.51 0.00 0.00 0.00 173.10 174.73 1ngy s THR 58 N -0.85 1.19 -0.23 0.90 -4.23 -1.26 -1.61 115.64 109.55 1ngy s THR 58 Ca 0.55 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1ngy s THR 58 Cb -0.46 -1.04 0.07 0.00 1.34 0.00 0.00 72.50 72.41 1ngy s THR 58 CO 0.58 0.15 0.03 -0.75 -0.54 0.00 0.00 174.62 174.10 1ngy s LYS 59 N -0.83 0.88 0.33 3.99 2.36 -0.83 -5.00 119.74 120.63 1ngy s LYS 59 Ca 0.04 -0.68 0.07 0.00 -2.55 0.00 0.00 55.97 52.84 1ngy s LYS 59 Cb -0.07 -2.19 -0.01 0.00 -1.05 0.00 0.00 37.83 34.50 1ngy s LYS 59 CO 0.01 -0.70 0.44 0.71 1.55 0.00 0.00 175.35 177.35 1ngy s TYR 60 N 1.71 3.10 -0.13 4.03 1.51 -1.26 -1.43 117.35 124.88 1ngy s TYR 60 Ca 0.00 -0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1ngy s TYR 60 Cb -0.18 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1ngy s TYR 60 CO -0.11 0.04 0.56 1.21 -1.11 0.00 0.00 175.55 176.14 1ngy s ASN 61 N -4.14 6.73 0.43 2.29 3.84 -0.09 -4.94 114.94 119.06 1ngy s ASN 61 Ca 0.44 0.88 0.28 0.00 0.21 0.00 0.00 52.86 54.67 1ngy s ASN 61 Cb -0.09 -2.33 1.39 0.00 -0.55 0.00 0.00 41.25 39.67 1ngy s ASN 61 CO 0.30 -0.10 1.63 -0.08 -2.79 0.00 0.00 177.10 176.06 1ngy h GLU 62 N 6.98 0.10 -0.89 0.43 4.57 -1.95 0.14 114.58 123.97 1ngy h GLU 62 Ca -0.38 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1ngy h GLU 62 Cb 1.17 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.69 1ngy h GLU 62 CO 0.76 0.07 0.59 -0.22 -1.18 0.00 0.00 179.01 179.02 1ngy h LYS 63 N 0.11 1.15 -0.36 1.92 1.63 -1.94 -2.83 116.57 116.25 1ngy h LYS 63 Ca 0.81 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.54 1ngy h LYS 63 Cb 2.46 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 33.83 1ngy h LYS 63 CO -0.44 0.76 0.00 1.19 -3.45 0.00 0.00 179.45 177.51 1ngy n PHE 64 N -4.48 1.25 -0.32 1.91 3.01 0.41 -4.66 117.46 114.59 1ngy n PHE 64 Ca 0.10 -0.81 0.06 0.00 1.01 0.00 0.00 57.45 57.81 1ngy n PHE 64 Cb 0.03 -0.35 0.21 0.00 -0.01 0.00 0.00 39.48 39.36 1ngy n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1ngy h LYS 65 N 2.50 0.79 -0.01 -1.08 1.63 -1.07 -1.60 116.57 117.73 1ngy h LYS 65 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1ngy h LYS 65 Cb 1.55 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 1ngy h LYS 65 CO 0.28 0.52 -0.56 -1.13 -3.45 0.00 0.00 179.45 175.12 1ngy n SER 66 N -4.74 1.83 -0.04 4.20 3.41 -1.26 -4.46 113.62 112.56 1ngy n SER 66 Ca 0.16 -1.41 -0.20 0.00 -0.26 0.00 0.00 58.87 57.17 1ngy n SER 66 Cb 0.35 0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 64.72 1ngy n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ngy n LYS 67 N -0.29 0.72 -4.26 4.33 3.00 -0.93 -4.77 118.16 115.96 1ngy n LYS 67 Ca 0.08 0.22 -0.28 0.00 -0.00 0.00 0.00 58.31 58.34 1ngy n LYS 67 Cb 0.44 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 1ngy n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ngy s ALA 68 N -2.55 2.98 -0.20 3.14 0.00 -0.65 -1.54 121.76 122.95 1ngy s ALA 68 Ca -0.26 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1ngy s ALA 68 Cb 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 23.12 22.45 1ngy s ALA 68 CO 0.72 0.53 0.15 0.99 0.00 0.00 0.00 175.76 178.15 1ngy s THR 69 N -1.53 -0.19 0.20 0.00 2.01 -0.50 -4.81 115.64 110.82 1ngy s THR 69 Ca 0.24 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 1ngy s THR 69 Cb -0.10 -0.66 -0.07 0.00 0.01 0.00 0.00 72.50 71.68 1ngy s THR 69 CO 0.15 -0.29 0.58 -0.76 -0.69 0.00 0.00 174.62 173.61 1ngy s LEU 70 N 2.22 4.24 0.21 4.42 1.43 -1.26 -1.56 118.68 128.37 1ngy s LEU 70 Ca 0.05 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.04 1ngy s LEU 70 Cb -0.16 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1ngy s LEU 70 CO -0.13 -0.00 0.50 0.42 0.23 0.00 0.00 176.35 177.37 1ngy s THR 71 N -1.66 0.02 0.19 5.49 -4.23 -0.36 -4.99 115.64 110.10 1ngy s THR 71 Ca 0.43 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1ngy s THR 71 Cb -0.13 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 1ngy s THR 71 CO 0.20 -0.11 0.05 0.68 -0.54 0.00 0.00 174.62 174.90 1ngy s VAL 72 N -3.91 0.45 -0.39 2.29 -7.23 -1.26 0.60 120.40 110.95 1ngy s VAL 72 Ca 0.12 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1ngy s VAL 72 Cb -0.01 -2.26 0.14 0.00 0.56 0.00 0.00 36.38 34.81 1ngy s VAL 72 CO 0.00 -0.32 0.22 -0.62 -0.31 0.00 0.00 175.10 174.08 1ngy s ASP 73 N -3.18 3.22 0.19 4.85 3.68 0.34 -4.95 116.67 120.82 1ngy s ASP 73 Ca 0.29 -2.37 -0.19 0.00 2.13 0.00 0.00 52.55 52.40 1ngy s ASP 73 Cb 0.07 -0.65 0.15 0.00 -1.45 0.00 0.00 42.92 41.04 1ngy s ASP 73 CO 0.06 -0.29 1.59 0.11 0.13 0.00 0.00 175.17 176.77 1ngy h LYS 74 N 6.89 -0.13 -0.80 4.34 6.56 -1.88 -0.94 116.57 130.60 1ngy h LYS 74 Ca 0.03 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.82 1ngy h LYS 74 Cb 0.95 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.52 1ngy h LYS 74 CO 0.35 -0.08 0.22 -1.35 -2.06 0.00 0.00 179.45 176.52 1ngy h PRO 75 N -0.13 0.26 -0.04 3.15 0.11 -1.97 -1.34 132.00 132.04 1ngy h PRO 75 Ca 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ngy h PRO 75 Cb 0.55 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1ngy h PRO 75 CO -0.70 0.17 0.00 0.45 -0.21 0.00 0.00 178.00 177.71 1ngy n SER 76 N -5.17 2.16 -3.65 -2.05 2.88 -0.81 -4.97 113.62 102.00 1ngy n SER 76 Ca 0.17 -1.72 -0.23 0.00 -1.33 0.00 0.00 58.87 55.76 1ngy n SER 76 Cb 0.55 -0.01 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 1ngy n SER 76 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ngy n ASN 77 N 0.69 -2.64 -3.89 -3.46 4.13 -0.42 -4.76 115.26 104.90 1ngy n ASN 77 Ca 0.17 -0.86 -0.12 0.00 1.68 0.00 0.00 54.58 55.46 1ngy n ASN 77 Cb 0.46 -4.01 -0.13 0.00 -1.54 0.00 0.00 39.78 34.55 1ngy n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ngy s THR 78 N -3.61 0.02 0.10 3.41 -4.23 -1.15 -0.93 115.64 109.26 1ngy s THR 78 Ca 0.16 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 1ngy s THR 78 Cb -0.04 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 1ngy s THR 78 CO 0.82 -0.09 0.09 0.00 -0.54 0.00 0.00 174.62 174.90 1ngy s ALA 79 N -0.25 3.55 0.12 3.99 0.00 -0.04 -0.51 121.76 128.61 1ngy s ALA 79 Ca -0.03 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1ngy s ALA 79 Cb -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1ngy s ALA 79 CO -0.00 0.69 -0.13 0.71 0.00 0.00 0.00 175.76 177.04 1ngy s TYR 80 N -1.46 1.30 -0.06 0.00 2.02 0.20 -0.48 117.35 118.86 1ngy s TYR 80 Ca 0.29 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1ngy s TYR 80 Cb -0.12 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 1ngy s TYR 80 CO 0.22 0.10 0.11 1.41 -1.57 0.00 0.00 175.55 175.83 1ngy s MET 81 N -2.82 0.01 -0.11 -0.62 -2.45 -0.55 -1.23 119.30 111.53 1ngy s MET 81 Ca 0.09 0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 54.94 1ngy s MET 81 Cb -0.04 -0.31 -0.03 0.00 1.25 0.00 0.00 34.83 35.71 1ngy s MET 81 CO 0.02 -0.26 -0.05 -1.14 1.05 0.00 0.00 175.02 174.63 1ngy s GLN 82 N 1.84 3.16 -0.10 4.11 0.74 -0.60 -0.34 119.66 128.47 1ngy s GLN 82 Ca -0.01 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1ngy s GLN 82 Cb -0.12 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 1ngy s GLN 82 CO -0.05 0.48 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.56 1ngy s LEU 83 N -0.30 2.90 0.33 3.68 1.43 -0.26 -1.41 118.68 125.06 1ngy s LEU 83 Ca 0.05 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1ngy s LEU 83 Cb -0.13 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1ngy s LEU 83 CO 0.02 0.26 -0.00 -0.94 0.23 0.00 0.00 176.35 175.92 1ngy s SER 84 N -0.19 4.14 -1.41 2.29 1.04 -0.59 -1.94 113.70 117.04 1ngy s SER 84 Ca 0.01 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.34 1ngy s SER 84 Cb -0.13 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.48 1ngy s SER 84 CO 0.03 -0.21 0.31 -1.20 0.98 0.00 0.00 173.24 173.14 1ngy n SER 85 N -0.93 -1.02 -4.70 7.02 7.64 -1.04 -4.82 113.62 115.78 1ngy n SER 85 Ca -0.04 -1.22 -0.42 0.00 1.01 0.00 0.00 58.87 58.19 1ngy n SER 85 Cb 0.62 -1.97 -0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1ngy n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngy n LEU 86 N -4.67 3.64 -4.23 -3.43 4.77 -0.89 -4.56 117.00 107.64 1ngy n LEU 86 Ca -0.25 1.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.77 1ngy n LEU 86 Cb 0.65 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 1ngy n LEU 86 CO 0.79 -0.56 -0.29 0.42 -1.33 0.00 0.00 177.39 176.43 1ngy s THR 87 N -1.13 0.37 0.59 -5.08 -4.23 -1.26 -0.05 115.64 104.85 1ngy s THR 87 Ca 0.57 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1ngy s THR 87 Cb -0.55 -2.30 0.39 0.00 1.34 0.00 0.00 72.50 71.38 1ngy s THR 87 CO 0.61 -0.27 1.85 0.77 -0.54 0.00 0.00 174.62 177.05 1ngy h SER 88 N 2.65 0.00 0.50 3.99 4.64 -1.96 0.40 113.55 123.77 1ngy h SER 88 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ngy h SER 88 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ngy h SER 88 CO 0.59 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.93 1ngy n GLU 89 N -3.71 0.29 0.00 4.77 1.02 -1.26 -2.01 120.64 119.75 1ngy n GLU 89 Ca 0.10 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1ngy n GLU 89 Cb 0.76 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.82 1ngy n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ngy n ASP 90 N -1.31 0.77 -4.67 1.62 8.00 0.14 -4.83 116.55 116.27 1ngy n ASP 90 Ca 0.11 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 1ngy n ASP 90 Cb 0.20 0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 1ngy n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ngy s SER 91 N -2.92 6.80 -0.02 -2.24 0.01 -0.85 -4.86 113.70 109.63 1ngy s SER 91 Ca 0.12 2.04 -0.08 0.00 1.31 0.00 0.00 55.95 59.34 1ngy s SER 91 Cb 0.17 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.89 1ngy s SER 91 CO 0.73 -0.82 0.35 0.00 0.41 0.00 0.00 173.24 173.91 1ngy n ALA 92 N 6.45 -1.01 -2.82 1.44 0.00 -0.86 -4.87 120.51 118.85 1ngy n ALA 92 Ca 0.15 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1ngy n ALA 92 Cb 0.44 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 1ngy n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngy s VAL 93 N -2.06 4.18 -0.10 0.00 1.01 0.29 -0.90 120.40 122.83 1ngy s VAL 93 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ngy s VAL 93 Cb -0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1ngy s VAL 93 CO -0.00 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.14 1ngy s TYR 94 N -0.11 2.68 0.18 5.22 1.51 0.74 -1.39 117.35 126.20 1ngy s TYR 94 Ca 0.04 -0.65 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1ngy s TYR 94 Cb -0.13 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1ngy s TYR 94 CO 0.02 -0.18 -0.17 0.71 -1.11 0.00 0.00 175.55 174.82 1ngy s TYR 95 N 0.08 2.48 -0.06 2.71 2.02 -0.20 -0.61 117.35 123.77 1ngy s TYR 95 Ca -0.08 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1ngy s TYR 95 Cb -0.15 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1ngy s TYR 95 CO 0.05 0.50 -0.22 0.00 -1.57 0.00 0.00 175.55 174.31 1ngy s THR 97 N 0.01 0.06 1.11 0.00 -1.32 -0.68 -1.49 115.64 113.34 1ngy s THR 97 Ca -0.07 -0.52 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 1ngy s THR 97 Cb -0.14 -0.20 0.18 0.00 -1.51 0.00 0.00 72.50 70.83 1ngy s THR 97 CO 0.04 -0.29 0.58 -1.14 -2.21 0.00 0.00 174.62 171.60 1ngy n ARG 98 N 2.16 -1.73 -0.27 7.08 3.00 -0.59 -0.62 116.66 125.70 1ngy n ARG 98 Ca -0.19 -0.47 0.07 0.00 -0.00 0.00 0.00 57.85 57.25 1ngy n ARG 98 Cb 0.57 -1.98 0.21 0.00 0.00 0.00 0.00 32.46 31.26 1ngy n ARG 98 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1ngy h ARG 99 N -2.27 0.43 -0.56 -0.14 0.11 -1.37 0.87 114.38 111.46 1ngy h ARG 99 Ca -0.55 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.50 1ngy h ARG 99 Cb 1.33 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1ngy h ARG 99 CO 0.43 0.29 0.00 -0.25 0.10 0.00 0.00 179.97 180.53 1ngy n ASP 100 N -5.00 2.58 -3.30 0.08 8.00 -1.26 -4.90 116.55 112.74 1ngy n ASP 100 Ca 0.16 -2.21 -0.17 0.00 0.71 0.00 0.00 54.79 53.28 1ngy n ASP 100 Cb 0.46 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1ngy n ASP 100 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ngy n MET 101 N 0.45 -2.16 0.08 -1.24 2.81 0.30 -4.74 117.12 112.63 1ngy n MET 101 Ca 0.13 0.08 0.06 0.00 -1.81 0.00 0.00 57.70 56.16 1ngy n MET 101 Cb 0.49 -4.62 -0.03 0.00 -0.71 0.00 0.00 33.22 28.35 1ngy n MET 101 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1ngy h ASP 102 N -0.37 0.00 -3.38 7.83 -0.00 -1.91 -3.45 116.42 115.14 1ngy h ASP 102 Ca -0.25 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.20 1ngy h ASP 102 Cb 1.16 0.00 -0.33 0.00 -0.00 0.00 0.00 39.33 40.16 1ngy h ASP 102 CO 0.36 0.29 -0.84 -0.31 -0.00 0.00 0.00 179.24 178.74 1ngy s TYR 103 N -3.14 1.90 0.13 4.15 2.02 -1.26 -5.04 117.35 116.11 1ngy s TYR 103 Ca -0.01 -0.75 0.07 0.00 -0.37 0.00 0.00 57.07 56.01 1ngy s TYR 103 Cb 0.09 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1ngy s TYR 103 CO 0.79 -0.34 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.68 1ngy s TRP 104 N 0.56 1.62 0.39 2.71 0.52 -1.26 -1.54 118.94 121.94 1ngy s TRP 104 Ca -0.16 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.42 1ngy s TRP 104 Cb -0.17 -0.84 0.09 0.00 -1.15 0.00 0.00 33.47 31.40 1ngy s TRP 104 CO 0.05 0.22 0.53 0.41 0.02 0.00 0.00 176.95 178.19 1ngy n GLY 105 N 0.56 -0.51 0.15 0.98 0.00 -0.56 -4.62 105.19 101.20 1ngy n GLY 105 Ca -0.15 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.11 1ngy n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngy h ALA 106 N -1.36 0.72 0.00 4.61 0.00 -1.91 -3.46 119.26 117.86 1ngy h ALA 106 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ngy h ALA 106 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ngy h ALA 106 CO 0.14 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1ngy n GLY 107 N 1.22 1.90 3.25 0.00 0.00 -1.26 -5.01 105.19 105.29 1ngy n GLY 107 Ca 0.01 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 1ngy n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngy s THR 108 N -2.07 2.05 -0.10 2.61 2.01 0.22 -4.89 115.64 115.47 1ngy s THR 108 Ca 0.00 -1.05 -0.15 0.00 0.31 0.00 0.00 61.69 60.79 1ngy s THR 108 Cb 0.00 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1ngy s THR 108 CO 0.00 0.57 0.39 -0.89 -0.69 0.00 0.00 174.62 174.00 1ngy s THR 109 N -0.01 5.19 -0.09 -0.82 2.01 -1.26 -0.18 115.64 120.47 1ngy s THR 109 Ca -0.08 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1ngy s THR 109 Cb -0.15 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1ngy s THR 109 CO 0.05 0.42 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 1ngy s VAL 110 N 0.06 1.67 -0.23 3.82 1.01 -0.08 -4.26 120.40 122.39 1ngy s VAL 110 Ca 0.22 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1ngy s VAL 110 Cb -0.15 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1ngy s VAL 110 CO 0.09 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.65 1ngy s THR 111 N 0.53 2.05 -0.40 3.92 2.01 0.74 -2.02 115.64 122.46 1ngy s THR 111 Ca -0.16 -1.39 -0.23 0.00 0.31 0.00 0.00 61.69 60.23 1ngy s THR 111 Cb -0.17 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1ngy s THR 111 CO 0.06 0.12 0.77 -0.69 -0.69 0.00 0.00 174.62 174.18 1ngy s VAL 112 N 1.19 4.71 -0.04 3.82 1.01 -1.26 -1.49 120.40 128.35 1ngy s VAL 112 Ca -0.05 0.64 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1ngy s VAL 112 Cb -0.18 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1ngy s VAL 112 CO -0.07 -0.55 0.62 -0.55 0.00 0.00 0.00 175.10 174.55 1ngy s SER 113 N 1.97 -0.58 0.01 3.32 0.15 0.28 -4.67 113.70 114.19 1ngy s SER 113 Ca 0.30 0.60 0.24 0.00 0.70 0.00 0.00 55.95 57.78 1ngy s SER 113 Cb -0.13 0.50 0.23 0.00 -1.71 0.00 0.00 66.02 64.92 1ngy s SER 113 CO 0.19 -0.59 1.21 -1.54 1.20 0.00 0.00 173.24 173.72 1ngy n SER 114 N 0.94 0.66 -4.76 5.45 3.41 -1.26 -3.66 113.62 114.40 1ngy n SER 114 Ca -0.19 -0.44 -0.37 0.00 -0.26 0.00 0.00 58.87 57.61 1ngy n SER 114 Cb 0.57 0.53 0.02 0.00 -0.26 0.00 0.00 64.21 65.08 1ngy n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngy s ALA 115 N -3.03 2.76 0.43 7.33 0.00 -1.26 -4.99 121.76 123.00 1ngy s ALA 115 Ca 0.09 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1ngy s ALA 115 Cb 0.17 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1ngy s ALA 115 CO 0.76 -1.07 0.86 -1.54 0.00 0.00 0.00 175.76 174.77 1ngy s SER 116 N -1.32 6.64 0.69 0.00 1.04 -1.26 -5.03 113.70 114.45 1ngy s SER 116 Ca 0.71 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 58.38 1ngy s SER 116 Cb -0.33 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.39 1ngy s SER 116 CO 0.38 -0.43 1.09 0.28 0.98 0.00 0.00 173.24 175.54 1ngy s THR 117 N -2.38 3.40 -0.08 2.02 -1.32 -1.26 -4.88 115.64 111.14 1ngy s THR 117 Ca 0.56 0.57 -0.04 0.00 -1.21 0.00 0.00 61.69 61.57 1ngy s THR 117 Cb -0.10 -3.10 0.04 0.00 -1.51 0.00 0.00 72.50 67.83 1ngy s THR 117 CO 0.27 -0.48 0.18 -0.75 -2.21 0.00 0.00 174.62 171.63 1ngy s LYS 118 N -4.42 0.11 0.45 7.08 2.20 -0.34 -4.92 119.74 119.89 1ngy s LYS 118 Ca 0.64 0.46 -0.21 0.00 -0.36 0.00 0.00 55.97 56.51 1ngy s LYS 118 Cb -0.18 -0.18 -0.10 0.00 -1.51 0.00 0.00 37.83 35.86 1ngy s LYS 118 CO 0.47 -0.20 0.97 0.20 -0.36 0.00 0.00 175.35 176.42 1ngy s GLY 119 N 1.49 2.38 0.54 5.54 0.00 -1.26 -1.25 107.32 114.75 1ngy s GLY 119 Ca -0.06 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 1ngy s GLY 119 CO -0.07 0.70 0.94 2.56 0.00 0.00 0.00 173.10 177.24 1ngy s PRO 120 N -3.26 3.72 -0.06 2.90 0.04 -1.26 -4.55 135.00 132.54 1ngy s PRO 120 Ca 0.63 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1ngy s PRO 120 Cb -0.10 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1ngy s PRO 120 CO 0.16 -0.35 0.16 -1.12 0.04 0.00 0.00 177.00 175.89 1ngy s SER 121 N -3.68 6.36 -0.24 6.66 0.01 -0.72 -4.93 113.70 117.17 1ngy s SER 121 Ca 0.55 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.22 1ngy s SER 121 Cb -0.10 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.14 1ngy s SER 121 CO 0.42 0.33 -0.12 -0.69 0.41 0.00 0.00 173.24 173.59 1ngy s VAL 122 N -1.19 2.31 0.03 3.43 1.01 -1.26 -1.91 120.40 122.82 1ngy s VAL 122 Ca 0.22 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1ngy s VAL 122 Cb -0.12 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ngy s VAL 122 CO 0.12 0.16 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 1ngy s PHE 123 N 1.20 2.80 0.36 5.22 0.08 -0.46 -4.95 117.98 122.23 1ngy s PHE 123 Ca -0.03 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.69 1ngy s PHE 123 Cb -0.17 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.62 1ngy s PHE 123 CO -0.07 0.36 0.91 -1.25 -0.10 0.00 0.00 175.22 175.07 1ngy s PRO 124 N -1.56 4.34 -0.67 0.24 0.04 -1.26 -0.12 135.00 136.01 1ngy s PRO 124 Ca 0.17 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1ngy s PRO 124 Cb -0.11 -2.49 0.17 0.00 0.04 0.00 0.00 34.50 32.11 1ngy s PRO 124 CO 0.08 0.14 0.50 -0.51 0.04 0.00 0.00 177.00 177.24 1ngy s LEU 125 N -2.65 5.33 0.33 -3.56 1.43 0.12 -4.81 118.68 114.89 1ngy s LEU 125 Ca 0.55 -2.97 -0.29 0.00 -1.03 0.00 0.00 54.13 50.39 1ngy s LEU 125 Cb -0.13 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.11 1ngy s LEU 125 CO 0.18 -0.35 1.30 0.00 0.23 0.00 0.00 176.35 177.71 1ngy s ALA 126 N -0.24 3.49 0.43 4.21 0.00 -1.26 -1.49 121.76 126.90 1ngy s ALA 126 Ca 0.18 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 1ngy s ALA 126 Cb -0.18 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 1ngy s ALA 126 CO -0.05 -0.64 1.15 -1.25 0.00 0.00 0.00 175.76 174.97 1ngy s PRO 127 N -1.80 3.94 0.34 0.00 0.04 -1.26 -4.75 135.00 131.50 1ngy s PRO 127 Ca 0.49 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1ngy s PRO 127 Cb -0.40 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.68 1ngy s PRO 127 CO 0.53 -0.40 0.86 -1.54 0.04 0.00 0.00 177.00 176.49 1ngy s SER 128 N -1.31 0.02 0.61 6.66 1.04 -1.26 -1.93 113.70 117.53 1ngy s SER 128 Ca 0.60 -1.05 0.32 0.00 0.48 0.00 0.00 55.95 56.31 1ngy s SER 128 Cb -0.28 0.77 1.88 0.00 0.10 0.00 0.00 66.02 68.48 1ngy s SER 128 CO 0.35 -1.53 2.20 0.77 0.98 0.00 0.00 173.24 176.02 1ngy h SER 129 N 2.00 0.00 0.28 7.02 4.64 -1.95 -0.31 113.55 125.23 1ngy h SER 129 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ngy h SER 129 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ngy h SER 129 CO 0.40 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 176.53 1ngy n LYS 130 N -3.61 0.82 -1.24 4.77 4.01 -1.26 -3.57 118.16 118.08 1ngy n LYS 130 Ca -0.01 -0.33 -0.03 0.00 -0.51 0.00 0.00 58.31 57.42 1ngy n LYS 130 Cb 0.19 -1.49 0.12 0.00 -0.51 0.00 0.00 35.03 33.34 1ngy n LYS 130 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ngy n SER 131 N -0.80 2.55 -4.64 4.39 3.41 -0.13 -5.04 113.62 113.36 1ngy n SER 131 Ca 0.15 -3.54 -0.28 0.00 -0.26 0.00 0.00 58.87 54.94 1ngy n SER 131 Cb 0.29 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1ngy n SER 131 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ngy s THR 132 N -3.31 3.66 0.00 6.66 -1.32 -1.20 -0.47 115.64 119.67 1ngy s THR 132 Ca 0.41 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 1ngy s THR 132 Cb 0.38 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1ngy s THR 132 CO -0.05 -0.03 0.00 -0.24 -2.21 0.00 0.00 174.62 172.09 1ngy n SER 133 N 0.16 0.00 -3.51 8.08 2.88 -0.34 -5.00 113.62 115.89 1ngy n SER 133 Ca -0.11 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.03 1ngy n SER 133 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1ngy n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ngy n GLY 134 N 0.89 4.45 2.08 0.46 0.00 -1.26 -4.30 105.19 107.50 1ngy n GLY 134 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1ngy n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngy n GLY 135 N 3.49 1.12 3.72 -0.02 0.00 -1.26 -5.03 105.19 107.21 1ngy n GLY 135 Ca 0.65 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.45 1ngy n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngy s THR 136 N -3.23 3.62 -0.03 2.61 -4.23 -1.26 -1.32 115.64 111.79 1ngy s THR 136 Ca 0.00 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1ngy s THR 136 Cb 0.00 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.82 1ngy s THR 136 CO 0.00 -0.32 -0.05 0.00 -0.54 0.00 0.00 174.62 173.71 1ngy s ALA 137 N -2.30 0.65 -0.04 3.99 0.00 0.63 -1.20 121.76 123.49 1ngy s ALA 137 Ca 0.34 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1ngy s ALA 137 Cb -0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1ngy s ALA 137 CO 0.22 0.04 0.34 0.00 0.00 0.00 0.00 175.76 176.36 1ngy s ALA 138 N 0.63 3.73 0.23 0.00 0.00 0.38 -0.49 121.76 126.24 1ngy s ALA 138 Ca -0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 1ngy s ALA 138 Cb -0.12 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 1ngy s ALA 138 CO 0.00 0.49 0.35 -0.48 0.00 0.00 0.00 175.76 176.12 1ngy s LEU 139 N -0.97 0.63 0.00 0.00 0.05 -0.05 -4.21 118.68 114.13 1ngy s LEU 139 Ca 0.21 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 53.29 1ngy s LEU 139 Cb -0.15 1.26 0.00 0.00 -2.05 0.00 0.00 46.19 45.25 1ngy s LEU 139 CO 0.11 -1.03 0.00 0.61 -0.55 0.00 0.00 176.35 175.48 1ngy n GLY 140 N -0.34 -0.86 3.03 -3.48 0.00 -0.55 -0.09 105.19 102.89 1ngy n GLY 140 Ca -0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1ngy n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngy s LEU 142 N -0.47 3.72 -0.45 0.00 2.96 0.83 -1.34 118.68 123.94 1ngy s LEU 142 Ca 0.01 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1ngy s LEU 142 Cb -0.04 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.76 1ngy s LEU 142 CO -0.00 -0.06 0.30 -0.69 -1.32 0.00 0.00 176.35 174.57 1ngy s VAL 143 N 1.66 4.01 0.17 1.68 1.01 0.79 -1.36 120.40 128.37 1ngy s VAL 143 Ca 0.06 -1.76 0.09 0.00 0.00 0.00 0.00 61.98 60.37 1ngy s VAL 143 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1ngy s VAL 143 CO 0.06 -0.70 -0.19 -1.59 0.00 0.00 0.00 175.10 172.68 1ngy s LYS 144 N 1.33 1.30 -0.68 2.72 0.00 -0.80 0.05 119.74 123.66 1ngy s LYS 144 Ca 0.06 -1.42 -0.02 0.00 0.00 0.00 0.00 55.97 54.58 1ngy s LYS 144 Cb -0.25 -1.38 -0.03 0.00 0.00 0.00 0.00 37.83 36.17 1ngy s LYS 144 CO -0.01 0.28 0.61 -0.25 0.00 0.00 0.00 175.35 175.99 1ngy n ASP 145 N 0.29 -5.88 -4.15 0.03 10.43 0.10 -1.75 116.55 115.62 1ngy n ASP 145 Ca -0.13 -0.31 -0.13 0.00 2.57 0.00 0.00 54.79 56.78 1ngy n ASP 145 Cb 0.57 -4.13 -0.11 0.00 1.84 0.00 0.00 41.12 39.29 1ngy n ASP 145 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1ngy s TYR 146 N -3.16 0.92 -0.17 1.24 -0.85 -0.60 -4.09 117.35 110.65 1ngy s TYR 146 Ca 0.19 -0.68 -0.13 0.00 -0.52 0.00 0.00 57.07 55.93 1ngy s TYR 146 Cb -0.02 -0.52 0.05 0.00 0.38 0.00 0.00 41.96 41.84 1ngy s TYR 146 CO 0.56 -0.06 0.43 0.12 -1.52 0.00 0.00 175.55 175.08 1ngy s PHE 147 N -2.48 -0.54 0.06 -3.49 5.36 -0.38 -0.44 117.98 116.07 1ngy s PHE 147 Ca 0.03 1.22 0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1ngy s PHE 147 Cb -0.03 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.88 1ngy s PHE 147 CO -0.01 -0.28 0.08 -0.35 -1.46 0.00 0.00 175.22 173.20 1ngy n PRO 148 N 3.43 0.83 -1.82 10.12 -0.04 -1.26 -1.20 135.00 145.06 1ngy n PRO 148 Ca -0.17 -0.28 -0.31 0.00 -0.04 0.00 0.00 63.50 62.70 1ngy n PRO 148 Cb 0.56 -0.04 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1ngy n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ngy s GLU 149 N -2.37 3.14 0.47 0.54 2.02 -1.26 -4.74 118.70 116.50 1ngy s GLU 149 Ca 0.06 0.65 0.08 0.00 0.02 0.00 0.00 54.97 55.78 1ngy s GLU 149 Cb -0.00 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1ngy s GLU 149 CO 0.04 -0.87 0.48 -1.25 0.02 0.00 0.00 175.26 173.67 1ngy s PRO 150 N -5.23 2.49 -0.08 0.39 0.04 -1.26 -4.85 135.00 126.50 1ngy s PRO 150 Ca 0.57 -1.60 0.01 0.00 0.04 0.00 0.00 61.00 60.02 1ngy s PRO 150 Cb -0.12 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.02 1ngy s PRO 150 CO 0.53 -0.39 -0.08 0.54 0.04 0.00 0.00 177.00 177.65 1ngy s VAL 151 N -2.54 0.90 0.01 -0.36 0.11 -1.26 -4.64 120.40 112.61 1ngy s VAL 151 Ca 0.49 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 59.09 1ngy s VAL 151 Cb -0.04 -0.89 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 1ngy s VAL 151 CO 0.29 0.32 0.46 0.42 -3.33 0.00 0.00 175.10 173.27 1ngy s THR 152 N 1.19 4.96 -0.08 5.04 -4.23 -0.37 -4.92 115.64 117.22 1ngy s THR 152 Ca -0.06 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1ngy s THR 152 Cb -0.14 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.94 1ngy s THR 152 CO -0.02 0.55 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.82 1ngy s VAL 153 N -0.92 1.06 0.17 2.29 1.01 -1.26 -1.21 120.40 121.54 1ngy s VAL 153 Ca 0.26 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1ngy s VAL 153 Cb -0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ngy s VAL 153 CO 0.15 0.35 -0.14 -0.94 0.00 0.00 0.00 175.10 174.52 1ngy s SER 154 N 1.01 2.25 -0.09 3.32 1.04 -0.45 -4.96 113.70 115.82 1ngy s SER 154 Ca -0.08 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.43 1ngy s SER 154 Cb -0.15 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1ngy s SER 154 CO -0.00 -0.19 -0.19 0.26 0.98 0.00 0.00 173.24 174.10 1ngy s TRP 155 N -2.78 2.63 -1.51 5.02 0.52 -1.26 0.36 118.94 121.93 1ngy s TRP 155 Ca 0.17 -0.64 -0.07 0.00 0.02 0.00 0.00 56.10 55.58 1ngy s TRP 155 Cb -0.01 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.66 1ngy s TRP 155 CO 0.04 -0.17 0.61 0.09 0.02 0.00 0.00 176.95 177.54 1ngy n ASN 156 N 3.11 -1.79 -2.27 2.95 3.02 0.67 -0.59 115.26 120.36 1ngy n ASN 156 Ca -0.18 -0.97 -0.19 0.00 -0.03 0.00 0.00 54.58 53.21 1ngy n ASN 156 Cb 0.52 -3.12 -0.02 0.00 -0.61 0.00 0.00 39.78 36.55 1ngy n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ngy n SER 157 N -2.87 -5.53 0.00 6.41 7.64 -1.26 -1.62 113.62 116.39 1ngy n SER 157 Ca -0.15 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ngy n SER 157 Cb 0.61 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 1ngy n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngy n GLY 158 N -0.88 0.73 0.10 0.23 0.00 0.24 -4.92 105.19 100.70 1ngy n GLY 158 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ngy n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngy n ALA 159 N -1.15 2.25 -4.03 4.61 0.00 -0.64 -4.52 120.51 117.02 1ngy n ALA 159 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 1ngy n ALA 159 Cb 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 1ngy n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ngy s LEU 160 N -4.46 4.01 0.00 0.00 0.20 -1.03 -4.92 118.68 112.49 1ngy s LEU 160 Ca 0.10 -1.70 0.00 0.00 0.69 0.00 0.00 54.13 53.22 1ngy s LEU 160 Cb 0.12 -1.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.29 1ngy s LEU 160 CO 0.58 -0.27 0.00 0.35 -0.29 0.00 0.00 176.35 176.72 1ngy n THR 161 N 4.37 0.00 -1.97 3.68 -2.24 -1.26 -4.10 114.28 112.76 1ngy n THR 161 Ca -0.07 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 1ngy n THR 161 Cb 0.42 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1ngy n THR 161 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ngy s SER 162 N -3.07 6.33 -0.12 3.42 0.01 -1.26 -2.40 113.70 116.61 1ngy s SER 162 Ca 0.00 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1ngy s SER 162 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1ngy s SER 162 CO 0.00 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1ngy n GLY 163 N 0.64 0.32 3.76 3.44 0.00 -1.26 -4.71 105.19 107.37 1ngy n GLY 163 Ca 0.03 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1ngy n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngy s VAL 164 N -1.52 5.05 -0.21 1.61 1.01 -1.01 -2.52 120.40 122.81 1ngy s VAL 164 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1ngy s VAL 164 Cb 0.00 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1ngy s VAL 164 CO 0.00 0.42 -0.02 -1.00 0.00 0.00 0.00 175.10 174.51 1ngy s HIS 165 N -0.09 1.75 -0.37 5.22 3.76 0.11 -4.99 115.29 120.69 1ngy s HIS 165 Ca 0.27 -1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 53.78 1ngy s HIS 165 Cb -0.17 -1.32 0.04 0.00 1.11 0.00 0.00 32.58 32.25 1ngy s HIS 165 CO 0.13 -0.69 0.18 0.99 -0.85 0.00 0.00 174.74 174.50 1ngy s THR 166 N 1.61 4.20 0.58 1.30 2.01 -1.26 -0.31 115.64 123.77 1ngy s THR 166 Ca -0.03 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 1ngy s THR 166 Cb -0.18 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1ngy s THR 166 CO -0.07 -0.27 1.08 -0.36 -0.69 0.00 0.00 174.62 174.31 1ngy s PHE 167 N 1.47 2.84 0.51 4.92 0.08 -0.46 -5.00 117.98 122.34 1ngy s PHE 167 Ca 0.01 1.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.37 1ngy s PHE 167 Cb -0.20 -3.11 -0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1ngy s PHE 167 CO 0.04 -1.29 1.35 -2.14 -0.10 0.00 0.00 175.22 173.08 1ngy s PRO 168 N -3.77 3.34 0.59 0.24 0.02 -1.26 -4.57 135.00 129.59 1ngy s PRO 168 Ca 0.67 2.23 -0.17 0.00 0.02 0.00 0.00 61.00 63.75 1ngy s PRO 168 Cb -0.19 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1ngy s PRO 168 CO 0.33 -1.03 1.10 0.00 -0.33 0.00 0.00 177.00 177.08 1ngy s ALA 169 N -1.30 2.63 0.17 -1.55 0.00 -1.26 -4.79 121.76 115.66 1ngy s ALA 169 Ca 0.68 0.64 0.08 0.00 0.00 0.00 0.00 51.96 53.36 1ngy s ALA 169 Cb -0.40 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1ngy s ALA 169 CO 0.48 -0.93 -0.07 0.14 0.00 0.00 0.00 175.76 175.39 1ngy s VAL 170 N -2.11 3.37 -0.24 0.00 -7.23 0.11 -4.94 120.40 109.37 1ngy s VAL 170 Ca 0.69 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 1ngy s VAL 170 Cb -0.21 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1ngy s VAL 170 CO 0.33 -0.10 0.32 -0.22 -0.31 0.00 0.00 175.10 175.12 1ngy s LEU 171 N -2.84 4.10 0.43 1.32 0.20 -1.26 -2.15 118.68 118.48 1ngy s LEU 171 Ca 0.26 0.31 -0.10 0.00 0.69 0.00 0.00 54.13 55.28 1ngy s LEU 171 Cb -0.09 -2.36 -0.06 0.00 -0.43 0.00 0.00 46.19 43.25 1ngy s LEU 171 CO 0.16 -0.07 0.79 -1.10 -0.29 0.00 0.00 176.35 175.84 1ngy s GLN 172 N 1.50 3.75 0.56 1.98 -0.21 0.41 -4.95 119.66 122.70 1ngy s GLN 172 Ca 0.14 0.46 0.27 0.00 0.02 0.00 0.00 55.36 56.26 1ngy s GLN 172 Cb -0.15 -2.37 1.47 0.00 1.00 0.00 0.00 33.01 32.97 1ngy s GLN 172 CO 0.08 -0.09 1.98 0.66 -2.12 0.00 0.00 175.29 175.79 1ngy h SER 173 N 1.04 0.00 0.57 5.90 4.64 -1.98 0.45 113.55 124.17 1ngy h SER 173 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngy h SER 173 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ngy h SER 173 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1ngy n SER 174 N -4.07 0.08 0.00 4.97 3.41 -1.26 -4.85 113.62 111.90 1ngy n SER 174 Ca 0.09 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1ngy n SER 174 Cb 0.61 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1ngy n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngy n GLY 175 N 0.13 0.69 3.92 5.00 0.00 0.16 -5.06 105.19 110.03 1ngy n GLY 175 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1ngy n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngy s LEU 176 N 0.00 4.09 0.24 0.99 1.43 -1.25 -4.82 118.68 119.36 1ngy s LEU 176 Ca 0.00 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 1ngy s LEU 176 Cb 0.00 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1ngy s LEU 176 CO 0.00 -0.19 0.37 -0.31 0.23 0.00 0.00 176.35 176.45 1ngy s TYR 177 N -2.11 3.45 -0.04 0.29 2.02 0.42 -0.45 117.35 120.93 1ngy s TYR 177 Ca 0.41 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.00 1ngy s TYR 177 Cb -0.10 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1ngy s TYR 177 CO 0.32 0.42 0.28 -1.12 -1.57 0.00 0.00 175.55 173.87 1ngy s SER 178 N -3.96 -0.19 0.09 2.29 0.01 -0.91 0.02 113.70 111.04 1ngy s SER 178 Ca 0.34 0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.64 1ngy s SER 178 Cb -0.09 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.56 1ngy s SER 178 CO 0.29 -0.32 0.39 -1.48 0.41 0.00 0.00 173.24 172.53 1ngy s LEU 179 N -0.85 0.46 0.10 2.44 0.05 0.11 -0.71 118.68 120.27 1ngy s LEU 179 Ca -0.09 -0.21 0.09 0.00 0.05 0.00 0.00 54.13 53.97 1ngy s LEU 179 Cb -0.05 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.81 1ngy s LEU 179 CO 0.03 -0.77 -0.22 -0.94 -0.55 0.00 0.00 176.35 173.89 1ngy s SER 180 N -2.48 2.73 -0.10 1.48 1.04 -1.26 -0.15 113.70 114.96 1ngy s SER 180 Ca -0.00 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1ngy s SER 180 Cb 0.01 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1ngy s SER 180 CO -0.08 0.11 -0.06 -0.55 0.98 0.00 0.00 173.24 173.64 1ngy s SER 181 N -1.80 2.06 0.31 7.02 0.15 -0.45 -1.36 113.70 119.63 1ngy s SER 181 Ca 0.08 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.55 1ngy s SER 181 Cb -0.10 -0.76 -0.06 0.00 -1.71 0.00 0.00 66.02 63.39 1ngy s SER 181 CO 0.04 -0.13 -0.07 0.68 1.20 0.00 0.00 173.24 174.96 1ngy s VAL 182 N 1.75 1.88 -0.15 4.45 -7.23 0.57 -0.49 120.40 121.18 1ngy s VAL 182 Ca 0.05 -2.15 -0.19 0.00 -1.81 0.00 0.00 61.98 57.87 1ngy s VAL 182 Cb -0.12 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1ngy s VAL 182 CO -0.08 -0.25 0.51 0.54 -0.31 0.00 0.00 175.10 175.52 1ngy s VAL 183 N -2.85 0.01 -0.21 1.32 0.11 0.87 0.08 120.40 119.73 1ngy s VAL 183 Ca 0.31 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.20 1ngy s VAL 183 Cb 0.03 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1ngy s VAL 183 CO 0.14 -0.04 0.09 0.42 -3.33 0.00 0.00 175.10 172.38 1ngy s THR 184 N -0.19 4.90 0.36 5.04 -4.23 -1.05 -0.87 115.64 119.60 1ngy s THR 184 Ca -0.04 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1ngy s THR 184 Cb -0.03 -3.24 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 1ngy s THR 184 CO 0.03 0.42 0.06 0.68 -0.54 0.00 0.00 174.62 175.27 1ngy s VAL 185 N 0.69 1.17 0.32 2.29 -7.23 0.36 -4.78 120.40 113.21 1ngy s VAL 185 Ca 0.05 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1ngy s VAL 185 Cb -0.13 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.01 1ngy s VAL 185 CO 0.02 0.00 1.26 -2.84 -0.31 0.00 0.00 175.10 173.22 1ngy s PRO 186 N -3.84 4.43 0.25 4.82 0.02 -1.26 -0.27 135.00 139.15 1ngy s PRO 186 Ca 0.32 2.11 0.11 0.00 0.02 0.00 0.00 61.00 63.56 1ngy s PRO 186 Cb 0.07 -3.10 0.27 0.00 0.02 0.00 0.00 34.50 31.76 1ngy s PRO 186 CO 0.15 -0.09 1.56 0.77 -0.33 0.00 0.00 177.00 179.05 1ngy h SER 187 N 3.54 0.00 0.42 2.53 0.02 -1.49 -3.28 113.55 115.29 1ngy h SER 187 Ca -0.48 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1ngy h SER 187 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1ngy h SER 187 CO 0.66 0.67 -0.21 0.77 -1.14 0.00 0.00 176.83 177.58 1ngy h SER 188 N 0.00 0.00 -0.32 3.07 4.64 -1.92 -3.14 113.55 115.88 1ngy h SER 188 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ngy h SER 188 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ngy h SER 188 CO 0.09 0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 174.72 1ngy n SER 189 N -3.80 4.08 0.27 4.97 3.41 -1.24 -4.53 113.62 116.78 1ngy n SER 189 Ca -0.02 -2.90 0.15 0.00 -0.26 0.00 0.00 58.87 55.85 1ngy n SER 189 Cb 0.31 -0.54 0.86 0.00 -0.26 0.00 0.00 64.21 64.58 1ngy n SER 189 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ngy h LEU 190 N 2.20 0.00 -0.11 1.04 4.07 -1.66 -0.90 115.31 119.95 1ngy h LEU 190 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ngy h LEU 190 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1ngy h LEU 190 CO 0.24 0.00 -0.31 0.61 -1.08 0.00 0.00 178.44 177.90 1ngy n GLY 191 N -1.37 -1.15 0.00 0.83 0.00 -1.26 -4.34 105.19 97.90 1ngy n GLY 191 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ngy n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngy n THR 192 N -1.28 0.00 -3.79 2.61 -2.24 -0.47 -5.05 114.28 104.06 1ngy n THR 192 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 1ngy n THR 192 Cb 0.33 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1ngy n THR 192 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ngy s GLN 193 N -1.91 3.52 -0.09 -0.78 -1.52 -0.47 -5.10 119.66 113.32 1ngy s GLN 193 Ca 0.00 -0.30 0.01 0.00 -1.95 0.00 0.00 55.36 53.12 1ngy s GLN 193 Cb 0.00 -2.93 -0.02 0.00 -0.22 0.00 0.00 33.01 29.84 1ngy s GLN 193 CO 0.00 0.51 -0.13 0.99 -0.25 0.00 0.00 175.29 176.41 1ngy s THR 194 N -1.64 3.08 -0.20 -0.19 2.01 -1.26 -4.87 115.64 112.56 1ngy s THR 194 Ca 0.38 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1ngy s THR 194 Cb -0.12 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1ngy s THR 194 CO 0.27 0.56 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.28 1ngy s TYR 195 N -0.15 2.86 -0.08 4.92 2.02 -1.26 -4.94 117.35 120.72 1ngy s TYR 195 Ca -0.01 -1.81 0.03 0.00 -0.37 0.00 0.00 57.07 54.92 1ngy s TYR 195 Cb -0.13 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1ngy s TYR 195 CO 0.03 -0.82 -0.16 0.42 -1.57 0.00 0.00 175.55 173.45 1ngy s ILE 196 N 1.26 1.46 -0.14 2.71 1.01 -1.26 -0.10 121.20 126.13 1ngy s ILE 196 Ca 0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 1ngy s ILE 196 Cb -0.15 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1ngy s ILE 196 CO -0.10 0.43 0.27 0.00 0.00 0.00 0.00 174.94 175.53 1ngy s ASN 198 N 0.10 5.59 -0.11 0.00 -0.87 0.16 -1.42 114.94 118.38 1ngy s ASN 198 Ca 0.16 -0.71 -0.01 0.00 -1.57 0.00 0.00 52.86 50.73 1ngy s ASN 198 Cb -0.13 -2.00 -0.03 0.00 -0.02 0.00 0.00 41.25 39.07 1ngy s ASN 198 CO 0.04 -0.26 -0.05 -0.69 -2.57 0.00 0.00 177.10 173.57 1ngy s VAL 199 N 1.58 3.78 -0.07 1.60 1.01 0.12 -1.34 120.40 127.08 1ngy s VAL 199 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ngy s VAL 199 Cb -0.18 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ngy s VAL 199 CO 0.06 0.55 -0.06 0.21 0.00 0.00 0.00 175.10 175.85 1ngy s ASN 200 N -0.19 1.49 -0.37 3.32 3.84 -0.35 -0.70 114.94 121.98 1ngy s ASN 200 Ca 0.03 -0.20 0.01 0.00 0.21 0.00 0.00 52.86 52.91 1ngy s ASN 200 Cb -0.13 -0.62 0.11 0.00 -0.55 0.00 0.00 41.25 40.06 1ngy s ASN 200 CO 0.03 -0.06 0.15 -2.28 -2.79 0.00 0.00 177.10 172.14 1ngy s HIS 201 N 1.16 2.20 0.18 0.43 5.65 -0.25 -1.24 115.29 123.41 1ngy s HIS 201 Ca -0.07 -2.27 -0.14 0.00 0.25 0.00 0.00 55.06 52.84 1ngy s HIS 201 Cb -0.14 -2.02 0.15 0.00 -1.18 0.00 0.00 32.58 29.39 1ngy s HIS 201 CO -0.01 -0.85 1.71 0.87 -0.65 0.00 0.00 174.74 175.81 1ngy h LYS 202 N 7.42 0.17 -0.48 2.88 1.79 -1.82 -1.18 116.57 125.35 1ngy h LYS 202 Ca -0.07 -0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.53 1ngy h LYS 202 Cb 0.98 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.57 1ngy h LYS 202 CO 0.49 0.11 0.34 -1.35 -1.08 0.00 0.00 179.45 177.97 1ngy h PRO 203 N 0.18 0.01 -0.38 3.15 0.11 -1.93 -1.72 132.00 131.42 1ngy h PRO 203 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1ngy h PRO 203 Cb 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1ngy h PRO 203 CO -0.33 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.34 1ngy n SER 204 N -4.40 3.09 -2.38 -2.05 3.41 -1.08 -4.94 113.62 105.28 1ngy n SER 204 Ca 0.08 -1.91 -0.20 0.00 -0.26 0.00 0.00 58.87 56.58 1ngy n SER 204 Cb 0.55 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1ngy n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ngy n ASN 205 N 0.98 -5.81 -4.70 4.04 3.02 -0.65 -4.87 115.26 107.27 1ngy n ASN 205 Ca 0.15 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 1ngy n ASN 205 Cb 0.48 -4.81 -0.04 0.00 -0.61 0.00 0.00 39.78 34.80 1ngy n ASN 205 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ngy s THR 206 N -3.03 4.98 -0.26 3.41 2.01 -0.48 -4.97 115.64 117.30 1ngy s THR 206 Ca 0.03 1.61 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 1ngy s THR 206 Cb -0.01 -4.12 0.11 0.00 0.01 0.00 0.00 72.50 68.49 1ngy s THR 206 CO 0.04 0.18 0.23 -0.75 -0.69 0.00 0.00 174.62 173.63 1ngy s LYS 207 N 1.13 0.24 0.08 4.92 2.20 -1.26 -1.09 119.74 125.96 1ngy s LYS 207 Ca 0.41 -0.09 0.08 0.00 -0.36 0.00 0.00 55.97 56.01 1ngy s LYS 207 Cb -0.18 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.12 1ngy s LYS 207 CO 0.19 -0.88 -0.23 0.08 -0.36 0.00 0.00 175.35 174.15 1ngy s VAL 208 N 2.29 1.85 -0.25 4.02 1.01 0.12 -4.99 120.40 124.45 1ngy s VAL 208 Ca 0.08 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1ngy s VAL 208 Cb -0.15 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.68 1ngy s VAL 208 CO -0.25 0.13 0.04 -1.81 0.00 0.00 0.00 175.10 173.21 1ngy s ASP 209 N -1.56 3.63 -0.28 3.32 1.01 -1.26 0.14 116.67 121.69 1ngy s ASP 209 Ca 0.09 -1.28 -0.05 0.00 0.71 0.00 0.00 52.55 52.03 1ngy s ASP 209 Cb -0.10 -0.87 0.02 0.00 1.01 0.00 0.00 42.92 42.99 1ngy s ASP 209 CO 0.03 -0.34 0.02 -0.75 0.21 0.00 0.00 175.17 174.35 1ngy s LYS 210 N 1.63 2.95 0.03 8.23 2.47 -0.51 -4.93 119.74 129.60 1ngy s LYS 210 Ca 0.03 -0.93 -0.30 0.00 -1.56 0.00 0.00 55.97 53.21 1ngy s LYS 210 Cb -0.18 -3.22 -0.05 0.00 -1.46 0.00 0.00 37.83 32.93 1ngy s LYS 210 CO -0.15 -0.44 1.17 0.21 0.16 0.00 0.00 175.35 176.31 1ngy s LYS 211 N 1.42 4.43 -0.26 4.03 2.20 -1.26 -1.73 119.74 128.57 1ngy s LYS 211 Ca 0.01 1.71 -0.08 0.00 -0.36 0.00 0.00 55.97 57.24 1ngy s LYS 211 Cb -0.17 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1ngy s LYS 211 CO -0.00 -0.28 0.11 0.08 -0.36 0.00 0.00 175.35 174.89 1ngy s VAL 212 N 1.35 4.61 0.11 4.02 1.01 0.86 -4.95 120.40 127.41 1ngy s VAL 212 Ca 0.57 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.58 1ngy s VAL 212 Cb -0.27 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1ngy s VAL 212 CO 0.27 0.31 -0.24 -1.61 0.00 0.00 0.00 175.10 173.84 1ngy s GLU 213 N 1.64 1.25 0.50 2.72 2.02 -1.26 -4.41 118.70 121.16 1ngy s GLU 213 Ca 0.07 -1.24 -0.20 0.00 0.02 0.00 0.00 54.97 53.62 1ngy s GLU 213 Cb -0.15 -1.61 -0.11 0.00 0.10 0.00 0.00 34.13 32.35 1ngy s GLU 213 CO 0.06 0.38 0.47 -2.30 0.02 0.00 0.00 175.26 173.89 1ngy n PRO 214 N 1.03 0.50 -2.34 0.39 -0.02 -1.26 -4.33 135.00 128.97 1ngy n PRO 214 Ca -0.19 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1ngy n PRO 214 Cb 0.53 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1ngy n PRO 214 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ngy s LYS 215 N -1.75 4.04 0.00 -0.52 2.47 -0.81 -4.90 119.74 118.26 1ngy s LYS 215 Ca 0.65 1.54 0.00 0.00 -1.56 0.00 0.00 55.97 56.60 1ngy s LYS 215 Cb -0.52 -3.87 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 1ngy s LYS 215 CO 0.57 -0.97 0.14 -1.13 0.16 0.00 0.00 175.35 174.12