#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngz s VAL 2 N 0.00 2.39 -0.02 -0.39 1.01 -1.26 -4.12 120.40 118.02 1ngz s VAL 2 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1ngz s VAL 2 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ngz s VAL 2 CO 0.00 0.01 -0.06 -1.10 0.00 0.00 0.00 175.10 173.95 1ngz s GLN 3 N 1.53 0.63 -0.15 2.72 -1.52 -0.04 -4.98 119.66 117.85 1ngz s GLN 3 Ca 0.74 -0.21 -0.00 0.00 -1.95 0.00 0.00 55.36 53.94 1ngz s GLN 3 Cb -0.46 -0.62 0.03 0.00 -0.22 0.00 0.00 33.01 31.74 1ngz s GLN 3 CO 0.32 0.09 -0.08 -0.51 -0.25 0.00 0.00 175.29 174.86 1ngz s LEU 4 N 0.12 1.52 -0.23 2.90 1.43 -1.26 -1.02 118.68 122.14 1ngz s LEU 4 Ca -0.01 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1ngz s LEU 4 Cb -0.06 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1ngz s LEU 4 CO -0.00 -0.14 0.01 -0.22 0.23 0.00 0.00 176.35 176.23 1ngz s LEU 5 N 1.62 3.17 0.53 1.79 2.96 0.48 -4.16 118.68 125.07 1ngz s LEU 5 Ca 0.03 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1ngz s LEU 5 Cb -0.14 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1ngz s LEU 5 CO -0.08 -0.00 0.39 -1.61 -1.32 0.00 0.00 176.35 173.72 1ngz s GLU 6 N 1.41 2.27 0.42 1.98 2.02 -1.26 0.01 118.70 125.55 1ngz s GLU 6 Ca 0.05 -1.98 -0.05 0.00 0.02 0.00 0.00 54.97 53.00 1ngz s GLU 6 Cb -0.15 -2.11 0.09 0.00 0.10 0.00 0.00 34.13 32.07 1ngz s GLU 6 CO 0.00 -0.57 0.58 -1.13 0.02 0.00 0.00 175.26 174.16 1ngz n SER 7 N -1.73 0.24 0.00 -0.19 3.41 -1.26 -4.97 113.62 109.13 1ngz n SER 7 Ca -0.01 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1ngz n SER 7 Cb 0.64 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1ngz n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngz n GLY 8 N 1.06 0.53 3.17 5.00 0.00 -1.26 -4.28 105.19 109.40 1ngz n GLY 8 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1ngz n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngz s ALA 9 N -4.10 1.27 -0.02 4.61 0.00 -1.26 -1.35 121.76 120.91 1ngz s ALA 9 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1ngz s ALA 9 Cb 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ngz s ALA 9 CO 0.00 0.24 0.02 -1.21 0.00 0.00 0.00 175.76 174.81 1ngz s GLU 10 N -1.25 0.03 -0.15 0.00 2.02 -0.09 -4.96 118.70 114.31 1ngz s GLU 10 Ca 0.02 0.14 -0.06 0.00 0.02 0.00 0.00 54.97 55.09 1ngz s GLU 10 Cb -0.08 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 1ngz s GLU 10 CO 0.02 -0.14 0.08 -0.51 0.02 0.00 0.00 175.26 174.72 1ngz s LEU 11 N 0.90 3.95 0.01 1.80 1.43 -1.26 -1.02 118.68 124.49 1ngz s LEU 11 Ca -0.08 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1ngz s LEU 11 Cb -0.11 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1ngz s LEU 11 CO -0.02 0.28 0.11 -0.69 0.23 0.00 0.00 176.35 176.26 1ngz s VAL 12 N -0.28 0.09 0.34 -1.59 1.01 -0.38 -4.96 120.40 114.64 1ngz s VAL 12 Ca 0.09 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1ngz s VAL 12 Cb -0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 1ngz s VAL 12 CO 0.01 -0.41 0.70 -0.54 0.00 0.00 0.00 175.10 174.86 1ngz s LYS 13 N -1.44 3.80 0.51 2.72 1.02 -1.25 -0.90 119.74 124.20 1ngz s LYS 13 Ca -0.15 0.41 -0.23 0.00 0.02 0.00 0.00 55.97 56.02 1ngz s LYS 13 Cb -0.08 -2.48 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1ngz s LYS 13 CO 0.01 0.09 1.30 -2.30 -0.92 0.00 0.00 175.35 173.54 1ngz n PRO 14 N -0.89 1.73 0.00 -1.68 -0.02 -1.26 -1.87 135.00 131.01 1ngz n PRO 14 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ngz n PRO 14 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1ngz n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngz n GLY 15 N 0.81 3.20 1.86 -1.23 0.00 0.59 -4.88 105.19 105.53 1ngz n GLY 15 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1ngz n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngz n ALA 16 N -0.81 -0.52 -2.31 4.61 0.00 -0.78 -4.21 120.51 116.48 1ngz n ALA 16 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1ngz n ALA 16 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1ngz n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ngz s SER 17 N -3.24 1.37 0.02 0.00 0.01 -1.26 -1.22 113.70 109.38 1ngz s SER 17 Ca 0.35 -0.93 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1ngz s SER 17 Cb -0.01 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ngz s SER 17 CO 0.24 -0.36 -0.04 0.54 0.41 0.00 0.00 173.24 174.03 1ngz s VAL 18 N -3.11 0.30 -0.28 3.43 0.11 -0.66 -4.99 120.40 115.19 1ngz s VAL 18 Ca 0.10 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1ngz s VAL 18 Cb 0.02 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.60 1ngz s VAL 18 CO -0.02 -0.20 -0.05 -0.75 -3.33 0.00 0.00 175.10 170.76 1ngz s LYS 19 N -0.84 1.87 0.09 1.54 2.20 -1.26 -0.89 119.74 122.45 1ngz s LYS 19 Ca -0.06 -1.45 -0.20 0.00 -0.36 0.00 0.00 55.97 53.90 1ngz s LYS 19 Cb -0.06 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 1ngz s LYS 19 CO -0.00 -0.70 0.60 -0.51 -0.36 0.00 0.00 175.35 174.37 1ngz s LEU 20 N 1.10 4.52 0.15 5.43 1.02 -0.19 -4.89 118.68 125.82 1ngz s LEU 20 Ca -0.02 1.30 0.06 0.00 0.02 0.00 0.00 54.13 55.49 1ngz s LEU 20 Cb -0.19 -2.98 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 1ngz s LEU 20 CO -0.07 0.25 0.05 -0.94 0.02 0.00 0.00 176.35 175.67 1ngz s SER 21 N -1.16 5.13 -0.30 2.29 1.04 -1.26 -1.07 113.70 118.37 1ngz s SER 21 Ca 0.31 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1ngz s SER 21 Cb -0.20 -1.23 0.12 0.00 0.10 0.00 0.00 66.02 64.82 1ngz s SER 21 CO 0.20 0.10 0.24 0.00 0.98 0.00 0.00 173.24 174.76 1ngz s LYS 23 N 2.14 3.95 0.17 0.00 1.02 0.10 -0.99 119.74 126.13 1ngz s LYS 23 Ca 0.10 0.58 -0.03 0.00 0.02 0.00 0.00 55.97 56.64 1ngz s LYS 23 Cb -0.15 -3.74 -0.05 0.00 -0.52 0.00 0.00 37.83 33.37 1ngz s LYS 23 CO -0.31 -0.70 0.38 0.00 -0.92 0.00 0.00 175.35 173.80 1ngz s ALA 24 N 2.99 3.81 0.19 5.17 0.00 -0.66 -0.39 121.76 132.87 1ngz s ALA 24 Ca 0.33 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 1ngz s ALA 24 Cb -0.14 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.95 1ngz s ALA 24 CO 0.13 0.58 0.57 -1.54 0.00 0.00 0.00 175.76 175.50 1ngz s SER 25 N -2.72 -0.37 0.00 0.00 1.04 -0.19 -4.90 113.70 106.57 1ngz s SER 25 Ca 0.40 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1ngz s SER 25 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1ngz s SER 25 CO 0.27 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1ngz n GLY 26 N -0.36 0.76 3.79 7.32 0.00 -1.26 -0.86 105.19 114.58 1ngz n GLY 26 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1ngz n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ngz s TYR 27 N -2.77 -0.16 -0.72 1.61 -0.85 -1.26 -4.26 117.35 108.94 1ngz s TYR 27 Ca 0.00 -0.20 -0.27 0.00 -0.52 0.00 0.00 57.07 56.08 1ngz s TYR 27 Cb 0.00 0.66 0.02 0.00 0.38 0.00 0.00 41.96 43.02 1ngz s TYR 27 CO 0.00 -0.98 1.42 0.99 -1.52 0.00 0.00 175.55 175.47 1ngz s THR 28 N -3.52 3.64 0.26 -3.49 2.01 -1.26 -4.88 115.64 108.39 1ngz s THR 28 Ca 0.12 0.33 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 1ngz s THR 28 Cb -0.03 -4.69 0.39 0.00 0.01 0.00 0.00 72.50 68.18 1ngz s THR 28 CO 0.04 -1.63 1.58 0.15 -0.69 0.00 0.00 174.62 174.06 1ngz h PHE 29 N 11.19 -0.48 0.00 4.92 3.04 -1.95 0.30 116.94 133.96 1ngz h PHE 29 Ca -0.26 0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.77 1ngz h PHE 29 Cb 1.07 0.35 -0.00 0.00 2.56 0.00 0.00 35.95 39.93 1ngz h PHE 29 CO 1.11 -0.38 -0.00 0.00 -2.02 0.00 0.00 178.31 177.02 1ngz h THR 30 N -0.00 0.03 -3.10 4.41 1.03 -1.90 -3.39 112.91 109.98 1ngz h THR 30 Ca 0.42 -0.23 -0.60 0.00 -0.01 0.00 0.00 66.41 65.99 1ngz h THR 30 Cb 0.65 1.22 -0.06 0.00 -1.07 0.00 0.00 68.15 68.88 1ngz h THR 30 CO -0.91 0.00 -0.20 -0.44 -0.01 0.00 0.00 175.52 173.96 1ngz s SER 31 N -5.42 6.74 0.00 0.00 0.01 0.10 -3.48 113.70 111.66 1ngz s SER 31 Ca -0.02 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1ngz s SER 31 Cb 0.11 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1ngz s SER 31 CO 0.47 0.24 0.00 -1.22 0.41 0.00 0.00 173.24 173.14 1ngz n TYR 32 N 2.39 0.00 -2.00 2.43 4.01 -1.26 -4.72 117.16 118.01 1ngz n TYR 32 Ca -0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.23 1ngz n TYR 32 Cb 0.52 -0.60 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1ngz n TYR 32 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1ngz s TRP 33 N 0.00 2.63 -0.16 -0.72 0.52 -1.26 -4.53 118.94 115.41 1ngz s TRP 33 Ca 0.00 1.42 -0.02 0.00 0.02 0.00 0.00 56.10 57.52 1ngz s TRP 33 Cb 0.00 -3.65 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 1ngz s TRP 33 CO 0.00 -2.25 -0.07 1.41 0.02 0.00 0.00 176.95 176.05 1ngz s MET 34 N -2.62 3.49 0.18 4.98 1.75 -0.19 -4.74 119.30 122.15 1ngz s MET 34 Ca 0.64 -0.61 0.07 0.00 -1.25 0.00 0.00 55.69 54.54 1ngz s MET 34 Cb -0.36 -2.83 -0.04 0.00 2.84 0.00 0.00 34.83 34.43 1ngz s MET 34 CO 0.45 0.13 0.04 -1.01 -0.65 0.00 0.00 175.02 173.97 1ngz s HIS 35 N 0.63 2.91 -0.02 4.11 3.76 0.87 -0.68 115.29 126.87 1ngz s HIS 35 Ca -0.04 -0.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1ngz s HIS 35 Cb -0.15 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1ngz s HIS 35 CO 0.03 0.52 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.69 1ngz s TRP 36 N -1.78 1.58 0.05 1.40 0.52 -0.46 -0.16 118.94 120.08 1ngz s TRP 36 Ca 0.29 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1ngz s TRP 36 Cb -0.09 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 1ngz s TRP 36 CO 0.20 -0.06 -0.12 0.08 0.02 0.00 0.00 176.95 177.06 1ngz s VAL 37 N -0.28 0.97 -0.07 4.03 1.01 0.24 -0.91 120.40 125.40 1ngz s VAL 37 Ca 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1ngz s VAL 37 Cb -0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1ngz s VAL 37 CO 0.00 -0.18 -0.17 -0.75 0.00 0.00 0.00 175.10 174.00 1ngz s LYS 38 N -1.48 2.66 -0.13 2.72 2.20 0.09 -0.45 119.74 125.35 1ngz s LYS 38 Ca -0.03 -0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1ngz s LYS 38 Cb -0.09 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1ngz s LYS 38 CO 0.02 0.50 0.02 -1.14 -0.36 0.00 0.00 175.35 174.38 1ngz s GLN 39 N -0.41 0.64 0.04 4.03 0.74 0.39 -1.01 119.66 124.09 1ngz s GLN 39 Ca 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.31 1ngz s GLN 39 Cb -0.12 -1.54 -0.04 0.00 1.10 0.00 0.00 33.01 32.41 1ngz s GLN 39 CO 0.02 -0.47 0.14 1.03 -0.55 0.00 0.00 175.29 175.46 1ngz s ARG 40 N 1.92 3.20 -0.44 1.67 0.52 -1.26 -1.10 118.95 123.45 1ngz s ARG 40 Ca 0.02 -0.50 -0.43 0.00 -0.52 0.00 0.00 55.73 54.31 1ngz s ARG 40 Cb -0.15 -2.92 -0.18 0.00 0.52 0.00 0.00 34.95 32.23 1ngz s ARG 40 CO -0.07 0.62 1.94 -2.30 0.02 0.00 0.00 175.30 175.51 1ngz n PRO 41 N 0.65 0.35 -3.93 3.54 -0.02 -1.26 -1.43 135.00 132.90 1ngz n PRO 41 Ca -0.09 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 1ngz n PRO 41 Cb 0.52 -1.74 0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1ngz n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngz n GLY 42 N 5.88 -0.83 0.06 -1.23 0.00 -1.26 -4.88 105.19 102.93 1ngz n GLY 42 Ca 0.42 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1ngz n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngz n ARG 43 N -4.66 0.07 -1.30 1.61 5.12 -0.52 -5.13 116.66 111.85 1ngz n ARG 43 Ca -0.12 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 1ngz n ARG 43 Cb 0.59 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 1ngz n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ngz n GLY 44 N -0.02 -4.52 3.73 -0.13 0.00 -1.26 -4.84 105.19 98.16 1ngz n GLY 44 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1ngz n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngz s LEU 45 N -1.79 3.52 -0.03 0.99 1.02 -1.26 -4.63 118.68 116.49 1ngz s LEU 45 Ca 0.00 2.47 0.03 0.00 0.02 0.00 0.00 54.13 56.65 1ngz s LEU 45 Cb 0.00 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.61 1ngz s LEU 45 CO 0.00 -1.97 -0.11 -1.61 0.02 0.00 0.00 176.35 172.68 1ngz s GLU 46 N -3.53 1.18 -0.14 1.70 2.02 -0.18 -4.98 118.70 114.77 1ngz s GLU 46 Ca 0.79 -0.40 -0.24 0.00 0.02 0.00 0.00 54.97 55.14 1ngz s GLU 46 Cb -0.33 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 1ngz s GLU 46 CO 0.40 0.16 0.75 -0.46 0.02 0.00 0.00 175.26 176.13 1ngz s TRP 47 N 0.12 3.47 -0.19 1.61 -0.00 -1.26 -0.73 118.94 121.95 1ngz s TRP 47 Ca -0.03 1.20 -0.19 0.00 -0.00 0.00 0.00 56.10 57.08 1ngz s TRP 47 Cb -0.09 -2.91 -0.20 0.00 -0.00 0.00 0.00 33.47 30.27 1ngz s TRP 47 CO 0.01 -0.11 0.24 0.82 -0.00 0.00 0.00 176.95 177.90 1ngz h ILE 48 N 5.04 0.85 0.00 5.86 2.04 -1.39 -3.42 117.51 126.50 1ngz h ILE 48 Ca -0.34 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1ngz h ILE 48 Cb 1.16 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1ngz h ILE 48 CO 0.79 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.97 1ngz n GLY 49 N 1.53 -1.65 3.16 5.37 0.00 -1.22 -0.93 105.19 111.46 1ngz n GLY 49 Ca -0.32 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1ngz n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ngz s ARG 50 N -1.48 0.68 0.00 1.61 1.70 -0.29 -1.36 118.95 119.82 1ngz s ARG 50 Ca 0.00 -0.80 0.02 0.00 -0.47 0.00 0.00 55.73 54.48 1ngz s ARG 50 Cb 0.00 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1ngz s ARG 50 CO 0.00 -0.19 -0.05 -1.50 -1.08 0.00 0.00 175.30 172.48 1ngz s ILE 51 N -3.00 0.42 -0.52 4.99 2.07 0.14 -1.71 121.20 123.60 1ngz s ILE 51 Ca -0.02 -0.33 -0.18 0.00 -1.41 0.00 0.00 60.65 58.71 1ngz s ILE 51 Cb 0.01 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.29 1ngz s ILE 51 CO -0.06 0.05 0.60 -0.62 -1.91 0.00 0.00 174.94 173.00 1ngz s ASP 52 N -0.31 6.20 0.56 4.50 -1.08 0.75 -1.02 116.67 126.27 1ngz s ASP 52 Ca 0.00 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.16 1ngz s ASP 52 Cb -0.03 -2.27 1.56 0.00 -1.46 0.00 0.00 42.92 40.72 1ngz s ASP 52 CO -0.00 -0.90 2.17 -0.65 0.52 0.00 0.00 175.17 176.32 1ngz h PRO 53 N 8.99 0.00 -0.08 4.34 0.11 -1.80 0.94 132.00 144.50 1ngz h PRO 53 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1ngz h PRO 53 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ngz h PRO 53 CO 0.98 0.00 -0.08 -0.97 -0.21 0.00 0.00 178.00 177.72 1ngz h ASN 54 N 0.00 0.21 0.17 -2.05 -1.24 -1.88 -3.35 115.58 107.45 1ngz h ASN 54 Ca 0.03 -0.49 -0.17 0.00 0.71 0.00 0.00 56.30 56.38 1ngz h ASN 54 Cb 0.15 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 1ngz h ASN 54 CO -0.00 0.66 -1.99 -1.54 -1.29 0.00 0.00 177.43 173.27 1ngz n SER 55 N -4.68 0.20 0.00 1.15 3.41 -1.14 -4.96 113.62 107.59 1ngz n SER 55 Ca -0.07 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1ngz n SER 55 Cb 0.32 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 1ngz n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngz n GLY 56 N 1.46 0.84 3.75 5.00 0.00 0.32 -5.02 105.19 111.54 1ngz n GLY 56 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1ngz n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngz n GLY 57 N -2.00 0.96 3.19 -0.02 0.00 -1.19 -4.66 105.19 101.48 1ngz n GLY 57 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ngz n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngz s THR 58 N -1.18 0.89 -0.05 2.61 -4.23 -1.26 -0.18 115.64 112.25 1ngz s THR 58 Ca 0.60 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1ngz s THR 58 Cb -0.47 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 71.77 1ngz s THR 58 CO 0.59 -0.75 0.11 -0.54 -0.54 0.00 0.00 174.62 173.48 1ngz s LYS 59 N -3.51 0.08 0.19 3.99 1.02 -0.69 -5.01 119.74 115.80 1ngz s LYS 59 Ca 0.11 0.25 0.09 0.00 0.02 0.00 0.00 55.97 56.45 1ngz s LYS 59 Cb 0.02 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1ngz s LYS 59 CO -0.02 -0.11 -0.19 0.71 -0.92 0.00 0.00 175.35 174.82 1ngz s TYR 60 N 0.74 1.94 0.05 3.18 1.51 -1.26 -1.14 117.35 122.37 1ngz s TYR 60 Ca -0.06 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 1ngz s TYR 60 Cb -0.08 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1ngz s TYR 60 CO -0.03 0.41 1.14 1.21 -1.11 0.00 0.00 175.55 177.16 1ngz s ASN 61 N -2.84 7.16 0.55 2.29 3.84 -0.10 -4.88 114.94 120.95 1ngz s ASN 61 Ca 0.19 1.92 0.28 0.00 0.21 0.00 0.00 52.86 55.46 1ngz s ASN 61 Cb -0.05 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 39.52 1ngz s ASN 61 CO 0.08 -0.40 1.95 1.05 -2.79 0.00 0.00 177.10 176.98 1ngz h GLU 62 N 6.75 0.00 0.00 0.43 4.11 -1.94 0.88 114.58 124.81 1ngz h GLU 62 Ca -0.41 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.98 1ngz h GLU 62 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ngz h GLU 62 CO 0.79 0.00 -0.15 -0.22 0.07 0.00 0.00 179.01 179.50 1ngz h LYS 63 N 0.00 0.00 -0.23 1.06 3.64 -1.94 -2.85 116.57 116.24 1ngz h LYS 63 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1ngz h LYS 63 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ngz h LYS 63 CO -0.00 0.15 0.00 1.19 -2.27 0.00 0.00 179.45 178.52 1ngz n PHE 64 N -3.85 0.31 -0.29 1.91 3.01 0.25 -4.71 117.46 114.10 1ngz n PHE 64 Ca -0.02 -0.41 0.11 0.00 1.01 0.00 0.00 57.45 58.14 1ngz n PHE 64 Cb 0.25 -0.03 0.35 0.00 -0.01 0.00 0.00 39.48 40.05 1ngz n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1ngz h LYS 65 N 1.69 0.73 -0.72 -1.08 3.64 -1.18 -0.89 116.57 118.76 1ngz h LYS 65 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ngz h LYS 65 Cb 0.63 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ngz h LYS 65 CO 0.00 0.48 0.00 -1.13 -2.27 0.00 0.00 179.45 176.53 1ngz n SER 66 N -4.58 4.21 0.00 4.20 3.41 -1.26 -4.48 113.62 115.12 1ngz n SER 66 Ca 0.18 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1ngz n SER 66 Cb 0.45 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1ngz n SER 66 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ngz n LYS 67 N 1.54 2.18 -4.58 4.33 4.76 -0.76 -4.88 118.16 120.75 1ngz n LYS 67 Ca 0.25 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 1ngz n LYS 67 Cb 0.70 -0.86 -0.11 0.00 -1.84 0.00 0.00 35.03 32.92 1ngz n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ngz s ALA 68 N -1.73 2.96 -0.13 7.82 0.00 -0.41 -1.18 121.76 129.09 1ngz s ALA 68 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ngz s ALA 68 Cb 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 22.01 1ngz s ALA 68 CO 0.00 0.59 -0.01 0.99 0.00 0.00 0.00 175.76 177.33 1ngz s THR 69 N -0.88 0.64 -0.07 0.00 2.01 -0.18 -4.80 115.64 112.36 1ngz s THR 69 Ca 0.14 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 1ngz s THR 69 Cb -0.11 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1ngz s THR 69 CO 0.04 0.13 0.32 -0.76 -0.69 0.00 0.00 174.62 173.66 1ngz s LEU 70 N 1.84 4.40 0.29 4.42 1.43 -1.26 -0.87 118.68 128.94 1ngz s LEU 70 Ca 0.03 0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1ngz s LEU 70 Cb -0.14 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1ngz s LEU 70 CO -0.07 0.29 0.35 0.42 0.23 0.00 0.00 176.35 177.57 1ngz s THR 71 N -0.68 0.00 0.07 5.49 -4.23 -0.56 -5.01 115.64 110.72 1ngz s THR 71 Ca 0.20 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1ngz s THR 71 Cb -0.15 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1ngz s THR 71 CO 0.09 0.00 0.24 0.54 -0.54 0.00 0.00 174.62 174.95 1ngz s VAL 72 N -3.55 0.11 -0.34 2.29 0.11 -1.26 -0.97 120.40 116.79 1ngz s VAL 72 Ca 0.34 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1ngz s VAL 72 Cb 0.02 -1.12 0.10 0.00 -1.53 0.00 0.00 36.38 33.85 1ngz s VAL 72 CO 0.18 -0.51 0.10 -0.62 -3.33 0.00 0.00 175.10 170.92 1ngz s ASP 73 N -2.48 4.24 0.16 3.54 2.15 0.24 -4.98 116.67 119.54 1ngz s ASP 73 Ca -0.00 -1.95 -0.16 0.00 0.43 0.00 0.00 52.55 50.87 1ngz s ASP 73 Cb 0.02 -1.15 0.08 0.00 -0.30 0.00 0.00 42.92 41.56 1ngz s ASP 73 CO -0.08 -0.38 1.72 0.11 -0.17 0.00 0.00 175.17 176.37 1ngz h LYS 74 N 7.75 0.17 -0.98 4.34 1.57 -1.91 -1.31 116.57 126.21 1ngz h LYS 74 Ca -0.09 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.89 1ngz h LYS 74 Cb 1.00 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 1ngz h LYS 74 CO 0.49 0.11 0.62 -1.35 -0.57 0.00 0.00 179.45 178.76 1ngz h PRO 75 N 0.18 0.59 -0.61 3.15 0.11 -1.97 -1.29 132.00 132.16 1ngz h PRO 75 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ngz h PRO 75 Cb 0.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1ngz h PRO 75 CO -0.23 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 1ngz n SER 76 N -4.67 3.62 -4.10 -2.05 3.41 -1.01 -4.97 113.62 103.85 1ngz n SER 76 Ca 0.23 -2.00 -0.28 0.00 -0.26 0.00 0.00 58.87 56.55 1ngz n SER 76 Cb 0.66 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1ngz n SER 76 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ngz n SER 77 N 1.28 -0.08 -4.11 4.04 2.88 -0.49 -4.77 113.62 112.37 1ngz n SER 77 Ca 0.20 -1.10 -0.25 0.00 -1.33 0.00 0.00 58.87 56.39 1ngz n SER 77 Cb 0.56 -2.53 -0.16 0.00 -0.75 0.00 0.00 64.21 61.33 1ngz n SER 77 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ngz s THR 78 N -4.05 1.31 -0.03 2.46 2.01 -0.96 -1.65 115.64 114.74 1ngz s THR 78 Ca 0.06 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1ngz s THR 78 Cb -0.03 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1ngz s THR 78 CO 0.93 0.38 0.07 0.00 -0.69 0.00 0.00 174.62 175.31 1ngz s ALA 79 N 0.09 3.54 0.05 7.40 0.00 -0.16 -0.59 121.76 132.10 1ngz s ALA 79 Ca -0.04 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ngz s ALA 79 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1ngz s ALA 79 CO 0.02 0.67 -0.15 0.71 0.00 0.00 0.00 175.76 177.00 1ngz s TYR 80 N -1.12 1.32 -0.13 0.00 2.02 -0.15 -0.49 117.35 118.80 1ngz s TYR 80 Ca 0.20 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1ngz s TYR 80 Cb -0.12 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1ngz s TYR 80 CO 0.11 0.06 -0.03 1.41 -1.57 0.00 0.00 175.55 175.53 1ngz s MET 81 N -1.39 1.15 -0.23 -0.62 -2.45 -0.23 -1.50 119.30 114.03 1ngz s MET 81 Ca 0.01 -0.26 -0.10 0.00 -1.25 0.00 0.00 55.69 54.10 1ngz s MET 81 Cb -0.09 -1.62 -0.05 0.00 1.25 0.00 0.00 34.83 34.33 1ngz s MET 81 CO 0.02 -0.37 0.14 -1.14 1.05 0.00 0.00 175.02 174.71 1ngz s GLN 82 N 1.77 4.05 -0.20 4.11 0.74 -0.05 -1.02 119.66 129.07 1ngz s GLN 82 Ca 0.03 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.10 1ngz s GLN 82 Cb -0.14 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1ngz s GLN 82 CO -0.07 0.11 0.01 -0.51 -0.55 0.00 0.00 175.29 174.28 1ngz s LEU 83 N 0.88 3.31 0.40 3.68 1.43 -0.07 -1.01 118.68 127.31 1ngz s LEU 83 Ca 0.07 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1ngz s LEU 83 Cb -0.13 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ngz s LEU 83 CO 0.03 0.07 0.43 -0.94 0.23 0.00 0.00 176.35 176.17 1ngz s SER 84 N 0.97 5.30 -0.87 2.29 1.04 -0.33 -1.65 113.70 120.45 1ngz s SER 84 Ca 0.02 -0.59 -0.25 0.00 0.48 0.00 0.00 55.95 55.60 1ngz s SER 84 Cb -0.14 -0.67 0.03 0.00 0.10 0.00 0.00 66.02 65.34 1ngz s SER 84 CO 0.02 -0.64 0.49 -1.20 0.98 0.00 0.00 173.24 172.89 1ngz n SER 85 N -1.62 -3.00 -4.76 7.02 7.64 -1.12 -4.79 113.62 112.99 1ngz n SER 85 Ca 0.04 -0.95 -0.40 0.00 1.01 0.00 0.00 58.87 58.57 1ngz n SER 85 Cb 0.61 -1.15 0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1ngz n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngz n LEU 86 N -3.89 5.12 -4.27 -3.43 4.77 -0.36 -4.58 117.00 110.36 1ngz n LEU 86 Ca -0.09 1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.84 1ngz n LEU 86 Cb 0.41 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.81 1ngz n LEU 86 CO 0.54 -0.25 -0.24 0.42 -1.33 0.00 0.00 177.39 176.53 1ngz s THR 87 N -1.21 0.29 0.49 -5.08 -4.23 -1.26 -0.30 115.64 104.34 1ngz s THR 87 Ca 0.63 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.33 1ngz s THR 87 Cb -0.45 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.18 1ngz s THR 87 CO 0.56 0.00 2.01 0.77 -0.54 0.00 0.00 174.62 177.42 1ngz h SER 88 N 2.44 0.15 0.66 3.99 4.64 -1.97 -0.55 113.55 122.92 1ngz h SER 88 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ngz h SER 88 Cb 1.25 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ngz h SER 88 CO 0.56 0.09 0.00 -0.33 -0.87 0.00 0.00 176.83 176.28 1ngz h GLU 89 N 0.17 0.00 -0.00 4.77 5.08 -1.96 -2.04 114.58 120.59 1ngz h GLU 89 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ngz h GLU 89 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ngz h GLU 89 CO -0.03 0.00 -0.16 -0.25 -1.00 0.00 0.00 179.01 177.56 1ngz n ASP 90 N -2.48 0.36 -4.69 1.42 8.00 -0.21 -4.80 116.55 114.14 1ngz n ASP 90 Ca 0.01 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 1ngz n ASP 90 Cb 0.21 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1ngz n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ngz s SER 91 N -2.72 6.79 -0.10 -2.24 0.01 -0.77 -4.86 113.70 109.82 1ngz s SER 91 Ca 0.21 2.18 -0.30 0.00 1.31 0.00 0.00 55.95 59.36 1ngz s SER 91 Cb 0.19 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.96 1ngz s SER 91 CO 0.54 -0.76 1.35 0.00 0.41 0.00 0.00 173.24 174.77 1ngz n ALA 92 N 5.52 -3.90 -2.78 1.44 0.00 -0.74 -4.84 120.51 115.21 1ngz n ALA 92 Ca 0.14 -0.71 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 1ngz n ALA 92 Cb 0.43 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1ngz n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngz s VAL 93 N -2.00 4.99 -0.08 0.00 1.01 -0.26 -0.93 120.40 123.13 1ngz s VAL 93 Ca 0.32 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1ngz s VAL 93 Cb -0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1ngz s VAL 93 CO -0.03 0.40 -0.07 -0.31 0.00 0.00 0.00 175.10 175.09 1ngz s TYR 94 N 0.80 2.93 0.10 5.22 1.51 0.16 -0.46 117.35 127.61 1ngz s TYR 94 Ca 0.05 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1ngz s TYR 94 Cb -0.13 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1ngz s TYR 94 CO 0.02 0.27 -0.20 0.71 -1.11 0.00 0.00 175.55 175.24 1ngz s TYR 95 N -0.65 1.71 0.03 2.71 2.02 0.40 -1.25 117.35 122.33 1ngz s TYR 95 Ca 0.10 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1ngz s TYR 95 Cb -0.11 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1ngz s TYR 95 CO 0.02 0.19 -0.01 0.00 -1.57 0.00 0.00 175.55 174.18 1ngz n THR 97 N 1.11 0.00 -4.20 0.00 5.66 0.77 -1.45 114.28 116.17 1ngz n THR 97 Ca -0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1ngz n THR 97 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1ngz n THR 97 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ngz n ARG 98 N 0.00 1.54 0.13 1.09 1.74 -1.25 -0.09 116.66 119.82 1ngz n ARG 98 Ca 0.00 -1.02 -0.15 0.00 -0.77 0.00 0.00 57.85 55.91 1ngz n ARG 98 Cb 0.00 0.31 -0.08 0.00 -1.02 0.00 0.00 32.46 31.66 1ngz n ARG 98 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ngz h ARG 99 N 0.00 -0.69 -1.82 5.56 2.43 -1.96 -3.39 114.38 114.51 1ngz h ARG 99 Ca -0.11 0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 58.80 1ngz h ARG 99 Cb 0.35 0.16 -0.29 0.00 -0.42 0.00 0.00 29.97 29.77 1ngz h ARG 99 CO 0.19 -0.46 -0.63 0.16 -1.51 0.00 0.00 179.97 177.71 1ngz s ASP 100 N -4.67 0.77 0.20 -3.80 3.84 -1.26 -5.14 116.67 106.61 1ngz s ASP 100 Ca -0.16 -1.25 0.00 0.00 -0.00 0.00 0.00 52.55 51.14 1ngz s ASP 100 Cb 0.07 0.80 -0.04 0.00 -1.38 0.00 0.00 42.92 42.36 1ngz s ASP 100 CO 0.62 -0.27 0.07 -0.55 -0.00 0.00 0.00 175.17 175.04 1ngz s SER 101 N 1.71 0.74 0.00 2.11 0.15 -1.26 -5.02 113.70 112.14 1ngz s SER 101 Ca 0.15 -1.30 0.25 0.00 0.70 0.00 0.00 55.95 55.75 1ngz s SER 101 Cb -0.13 0.24 0.36 0.00 -1.71 0.00 0.00 66.02 64.77 1ngz s SER 101 CO -0.10 -0.72 1.33 -0.67 1.20 0.00 0.00 173.24 174.28 1ngz n ASP 102 N -0.28 1.90 -4.50 5.45 4.64 -1.26 -4.83 116.55 117.67 1ngz n ASP 102 Ca -0.02 -1.45 -0.43 0.00 -1.38 0.00 0.00 54.79 51.51 1ngz n ASP 102 Cb 0.65 0.24 -0.08 0.00 -1.04 0.00 0.00 41.12 40.88 1ngz n ASP 102 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1ngz s TYR 103 N -2.33 3.15 0.04 -0.67 2.02 -1.26 -5.04 117.35 113.27 1ngz s TYR 103 Ca 0.24 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 1ngz s TYR 103 Cb 0.19 -2.96 -0.02 0.00 -0.40 0.00 0.00 41.96 38.77 1ngz s TYR 103 CO 0.47 -0.69 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.11 1ngz s TRP 104 N 2.28 0.67 0.82 2.71 0.52 -1.26 -3.90 118.94 120.78 1ngz s TRP 104 Ca 0.15 -0.52 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 1ngz s TRP 104 Cb -0.16 -0.40 0.08 0.00 -1.15 0.00 0.00 33.47 31.84 1ngz s TRP 104 CO 0.14 -0.09 1.11 0.20 0.02 0.00 0.00 176.95 178.33 1ngz s GLY 105 N -1.65 1.61 0.22 0.98 0.00 -0.53 -4.60 107.32 103.35 1ngz s GLY 105 Ca -0.09 -0.29 0.24 0.00 0.00 0.00 0.00 44.72 44.58 1ngz s GLY 105 CO 0.00 0.17 1.72 0.00 0.00 0.00 0.00 173.10 174.99 1ngz n ALA 106 N -3.50 1.85 0.00 3.20 0.00 -1.26 -4.79 120.51 116.00 1ngz n ALA 106 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ngz n ALA 106 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ngz n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ngz n GLY 107 N 0.40 0.86 3.35 0.00 0.00 -1.26 -5.05 105.19 103.49 1ngz n GLY 107 Ca 0.03 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1ngz n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngz s THR 108 N -0.91 2.97 -0.31 2.61 2.01 -0.38 -4.78 115.64 116.85 1ngz s THR 108 Ca 0.00 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1ngz s THR 108 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1ngz s THR 108 CO 0.00 0.52 0.42 -0.89 -0.69 0.00 0.00 174.62 173.98 1ngz s THR 109 N 0.44 5.12 -0.20 -0.82 2.01 -0.46 -0.66 115.64 121.07 1ngz s THR 109 Ca -0.10 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1ngz s THR 109 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1ngz s THR 109 CO 0.05 -0.03 0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1ngz s VAL 110 N 2.17 4.77 -0.21 3.82 1.01 -0.10 -0.92 120.40 130.93 1ngz s VAL 110 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ngz s VAL 110 Cb -0.16 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1ngz s VAL 110 CO 0.11 0.43 -0.14 -0.89 0.00 0.00 0.00 175.10 174.61 1ngz s THR 111 N 0.66 2.35 -0.32 3.92 2.01 -0.18 -1.79 115.64 122.29 1ngz s THR 111 Ca 0.04 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.87 1ngz s THR 111 Cb -0.13 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1ngz s THR 111 CO 0.02 0.36 0.24 -0.69 -0.69 0.00 0.00 174.62 173.85 1ngz s VAL 112 N 1.28 5.28 -0.01 3.82 1.01 -1.26 -1.25 120.40 129.27 1ngz s VAL 112 Ca 0.02 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 1ngz s VAL 112 Cb -0.15 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1ngz s VAL 112 CO -0.09 0.07 0.60 -0.55 0.00 0.00 0.00 175.10 175.13 1ngz s SER 113 N 1.73 -0.56 0.00 3.32 0.15 -0.08 -4.62 113.70 113.64 1ngz s SER 113 Ca 0.07 0.50 0.25 0.00 0.70 0.00 0.00 55.95 57.47 1ngz s SER 113 Cb -0.17 0.51 0.37 0.00 -1.71 0.00 0.00 66.02 65.02 1ngz s SER 113 CO 0.11 -0.63 1.34 -1.54 1.20 0.00 0.00 173.24 173.72 1ngz n SER 114 N 0.78 2.26 -4.75 5.45 3.41 -1.26 -3.95 113.62 115.55 1ngz n SER 114 Ca -0.19 -1.66 -0.34 0.00 -0.26 0.00 0.00 58.87 56.42 1ngz n SER 114 Cb 0.58 0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.73 1ngz n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngz s ALA 115 N -2.17 2.31 0.17 7.33 0.00 -1.26 -5.05 121.76 123.09 1ngz s ALA 115 Ca 0.27 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1ngz s ALA 115 Cb 0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ngz s ALA 115 CO 0.40 -1.54 0.12 -1.12 0.00 0.00 0.00 175.76 173.62 1ngz s SER 116 N -2.23 5.42 0.13 0.00 0.01 -1.26 -5.04 113.70 110.72 1ngz s SER 116 Ca 0.71 -0.18 -0.34 0.00 1.31 0.00 0.00 55.95 57.45 1ngz s SER 116 Cb -0.25 -1.38 -0.14 0.00 0.21 0.00 0.00 66.02 64.46 1ngz s SER 116 CO 0.42 0.06 1.59 0.41 0.41 0.00 0.00 173.24 176.13 1ngz n THR 117 N -0.41 0.06 -3.70 1.44 -1.04 -1.26 -4.68 114.28 104.69 1ngz n THR 117 Ca -0.08 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.81 1ngz n THR 117 Cb 0.55 -1.51 -0.11 0.00 -1.82 0.00 0.00 70.33 67.44 1ngz n THR 117 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ngz s LYS 118 N 1.22 0.35 0.65 -2.82 2.20 0.52 -4.95 119.74 116.91 1ngz s LYS 118 Ca 0.81 0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 57.03 1ngz s LYS 118 Cb -0.71 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 1ngz s LYS 118 CO 0.40 -0.16 1.06 0.20 -0.36 0.00 0.00 175.35 176.48 1ngz s GLY 119 N 1.43 1.89 0.58 5.54 0.00 -1.26 -1.22 107.32 114.27 1ngz s GLY 119 Ca -0.09 0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.77 1ngz s GLY 119 CO -0.12 0.55 0.95 2.56 0.00 0.00 0.00 173.10 177.04 1ngz s PRO 120 N -4.57 3.51 -0.16 2.90 0.04 -1.26 -4.52 135.00 130.94 1ngz s PRO 120 Ca 0.61 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1ngz s PRO 120 Cb -0.15 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1ngz s PRO 120 CO 0.46 -0.48 0.10 -1.12 0.04 0.00 0.00 177.00 176.00 1ngz s SER 121 N -4.17 6.03 -0.24 6.66 0.01 -0.36 -4.93 113.70 116.70 1ngz s SER 121 Ca 0.53 0.27 -0.02 0.00 1.31 0.00 0.00 55.95 58.03 1ngz s SER 121 Cb -0.11 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.15 1ngz s SER 121 CO 0.51 0.28 -0.05 -0.69 0.41 0.00 0.00 173.24 173.70 1ngz s VAL 122 N -0.27 3.03 0.07 3.43 1.01 -1.26 -1.20 120.40 125.20 1ngz s VAL 122 Ca 0.10 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1ngz s VAL 122 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1ngz s VAL 122 CO 0.01 0.25 -0.08 -0.36 0.00 0.00 0.00 175.10 174.93 1ngz s PHE 123 N 1.37 2.82 0.31 5.22 0.08 -0.01 -4.94 117.98 122.83 1ngz s PHE 123 Ca 0.02 -0.10 -0.27 0.00 0.12 0.00 0.00 56.93 56.70 1ngz s PHE 123 Cb -0.16 -1.51 -0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1ngz s PHE 123 CO -0.04 0.41 0.94 -1.25 -0.10 0.00 0.00 175.22 175.18 1ngz s PRO 124 N -1.93 4.62 -0.71 0.24 0.04 -1.26 -0.17 135.00 135.82 1ngz s PRO 124 Ca 0.20 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 1ngz s PRO 124 Cb -0.11 -2.88 0.18 0.00 0.04 0.00 0.00 34.50 31.73 1ngz s PRO 124 CO 0.12 0.32 0.55 -0.51 0.04 0.00 0.00 177.00 177.52 1ngz s LEU 125 N -1.91 5.37 0.29 -3.56 1.43 -0.11 -4.82 118.68 115.38 1ngz s LEU 125 Ca 0.49 -3.13 -0.29 0.00 -1.03 0.00 0.00 54.13 50.16 1ngz s LEU 125 Cb -0.20 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.04 1ngz s LEU 125 CO 0.25 -0.31 1.42 0.00 0.23 0.00 0.00 176.35 177.93 1ngz s ALA 126 N -0.47 3.59 0.05 4.21 0.00 -1.26 -1.18 121.76 126.70 1ngz s ALA 126 Ca 0.20 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.20 1ngz s ALA 126 Cb -0.16 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 1ngz s ALA 126 CO -0.06 -0.76 1.91 -0.35 0.00 0.00 0.00 175.76 176.49 1ngz n PRO 127 N 1.73 2.72 0.00 0.00 -0.04 -1.25 -4.87 135.00 133.29 1ngz n PRO 127 Ca 0.04 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1ngz n PRO 127 Cb 0.40 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1ngz n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ngz n SER 128 N 6.66 0.00 0.00 3.54 2.88 -1.26 -4.62 113.62 120.82 1ngz n SER 128 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ngz n SER 128 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1ngz n SER 128 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ngz n SER 129 N 0.00 0.00 0.00 -3.46 2.88 -1.26 -4.69 113.62 107.09 1ngz n SER 129 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ngz n SER 129 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ngz n SER 129 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ngz n LYS 130 N -0.00 0.00 -3.50 -1.46 2.85 -1.26 -4.54 118.16 110.25 1ngz n LYS 130 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1ngz n LYS 130 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1ngz n LYS 130 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ngz s SER 131 N -3.46 5.90 0.54 -5.58 0.15 -1.26 -5.11 113.70 104.89 1ngz s SER 131 Ca 0.00 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 1ngz s SER 131 Cb 0.00 -1.20 -0.06 0.00 -1.71 0.00 0.00 66.02 63.05 1ngz s SER 131 CO 0.00 -0.43 0.97 0.28 1.20 0.00 0.00 173.24 175.26 1ngz s THR 132 N -2.19 4.65 -0.56 6.45 -1.32 -1.26 -4.99 115.64 116.42 1ngz s THR 132 Ca 0.45 0.96 0.17 0.00 -1.21 0.00 0.00 61.69 62.06 1ngz s THR 132 Cb -0.09 -3.79 -0.22 0.00 -1.51 0.00 0.00 72.50 66.89 1ngz s THR 132 CO 0.31 -0.86 0.62 -1.20 -2.21 0.00 0.00 174.62 171.28 1ngz n SER 133 N -2.04 0.85 -0.80 8.08 7.64 -1.26 -4.62 113.62 121.46 1ngz n SER 133 Ca 0.06 -0.61 -0.01 0.00 1.01 0.00 0.00 58.87 59.31 1ngz n SER 133 Cb 0.54 1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.99 1ngz n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngz n GLY 134 N 1.43 0.76 4.13 0.23 0.00 -1.26 -4.98 105.19 105.50 1ngz n GLY 134 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ngz n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngz n GLY 135 N 0.08 1.03 3.42 -0.02 0.00 -1.26 -4.92 105.19 103.52 1ngz n GLY 135 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ngz n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngz s THR 136 N -1.83 3.32 0.23 2.61 2.01 -1.26 -0.53 115.64 120.18 1ngz s THR 136 Ca 0.00 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1ngz s THR 136 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1ngz s THR 136 CO 0.00 0.52 -0.03 0.00 -0.69 0.00 0.00 174.62 174.42 1ngz s ALA 137 N 0.23 3.10 -0.02 7.40 0.00 0.68 -4.74 121.76 128.40 1ngz s ALA 137 Ca -0.07 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.37 1ngz s ALA 137 Cb -0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1ngz s ALA 137 CO 0.04 0.35 -0.16 0.00 0.00 0.00 0.00 175.76 175.99 1ngz s ALA 138 N -2.07 1.39 0.21 0.00 0.00 -1.26 -0.82 121.76 119.20 1ngz s ALA 138 Ca 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1ngz s ALA 138 Cb -0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1ngz s ALA 138 CO 0.18 0.31 0.32 -0.48 0.00 0.00 0.00 175.76 176.09 1ngz s LEU 139 N -0.25 0.76 0.00 0.00 0.05 -0.72 -3.85 118.68 114.68 1ngz s LEU 139 Ca 0.03 -1.02 0.00 0.00 0.05 0.00 0.00 54.13 53.19 1ngz s LEU 139 Cb -0.08 1.21 0.00 0.00 -2.05 0.00 0.00 46.19 45.27 1ngz s LEU 139 CO 0.00 -0.98 0.00 0.61 -0.55 0.00 0.00 176.35 175.44 1ngz n GLY 140 N -0.29 0.77 2.85 -3.48 0.00 -0.32 -1.01 105.19 103.71 1ngz n GLY 140 Ca -0.03 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1ngz n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngz s LEU 142 N 0.92 4.88 -0.63 0.00 2.96 0.76 -1.54 118.68 126.03 1ngz s LEU 142 Ca -0.10 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.96 1ngz s LEU 142 Cb -0.13 -2.37 0.16 0.00 0.50 0.00 0.00 46.19 44.35 1ngz s LEU 142 CO -0.01 -0.57 0.60 -0.69 -1.32 0.00 0.00 176.35 174.36 1ngz s VAL 143 N 2.10 5.32 0.25 1.68 1.01 0.61 -0.83 120.40 130.53 1ngz s VAL 143 Ca 0.11 -1.78 0.09 0.00 0.00 0.00 0.00 61.98 60.41 1ngz s VAL 143 Cb -0.17 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1ngz s VAL 143 CO 0.13 -0.93 -0.15 -1.59 0.00 0.00 0.00 175.10 172.56 1ngz s LYS 144 N 1.21 1.52 -0.86 2.72 -2.85 -0.34 -0.95 119.74 120.18 1ngz s LYS 144 Ca 0.08 -1.70 -0.03 0.00 -1.00 0.00 0.00 55.97 53.31 1ngz s LYS 144 Cb -0.23 -1.41 -0.04 0.00 -2.06 0.00 0.00 37.83 34.09 1ngz s LYS 144 CO -0.01 0.22 0.74 -0.25 0.10 0.00 0.00 175.35 176.16 1ngz n ASP 145 N -0.52 -4.52 -4.36 0.03 10.43 0.50 -1.22 116.55 116.88 1ngz n ASP 145 Ca -0.06 -0.54 -0.19 0.00 2.57 0.00 0.00 54.79 56.57 1ngz n ASP 145 Cb 0.61 -4.20 -0.10 0.00 1.84 0.00 0.00 41.12 39.27 1ngz n ASP 145 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1ngz s TYR 146 N -3.30 1.75 -0.28 1.24 -0.85 -0.89 -4.34 117.35 110.68 1ngz s TYR 146 Ca 0.25 -0.58 -0.23 0.00 -0.52 0.00 0.00 57.07 56.00 1ngz s TYR 146 Cb -0.03 -0.83 0.11 0.00 0.38 0.00 0.00 41.96 41.59 1ngz s TYR 146 CO 0.58 0.36 0.93 0.12 -1.52 0.00 0.00 175.55 176.02 1ngz s PHE 147 N -2.96 -0.61 0.31 -3.49 5.36 -0.36 -0.72 117.98 115.50 1ngz s PHE 147 Ca 0.23 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.60 1ngz s PHE 147 Cb -0.00 0.37 0.06 0.00 -0.34 0.00 0.00 43.02 43.10 1ngz s PHE 147 CO 0.08 -0.30 0.42 -0.35 -1.46 0.00 0.00 175.22 173.61 1ngz n PRO 148 N 2.76 0.25 -1.52 10.12 -0.04 -1.26 -0.36 135.00 144.95 1ngz n PRO 148 Ca -0.15 -1.08 -0.30 0.00 -0.04 0.00 0.00 63.50 61.93 1ngz n PRO 148 Cb 0.56 -0.30 0.08 0.00 -0.04 0.00 0.00 33.50 33.80 1ngz n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ngz s GLU 149 N -3.55 2.43 0.53 0.54 2.02 -1.26 -4.80 118.70 114.61 1ngz s GLU 149 Ca 0.27 0.82 0.05 0.00 0.02 0.00 0.00 54.97 56.14 1ngz s GLU 149 Cb -0.01 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1ngz s GLU 149 CO 0.18 -1.42 0.36 -1.25 0.02 0.00 0.00 175.26 173.15 1ngz s PRO 150 N -5.08 2.25 0.06 0.39 0.04 -1.26 -4.88 135.00 126.52 1ngz s PRO 150 Ca 0.60 -2.04 0.05 0.00 0.04 0.00 0.00 61.00 59.64 1ngz s PRO 150 Cb -0.15 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ngz s PRO 150 CO 0.55 -0.57 -0.13 0.08 0.04 0.00 0.00 177.00 176.96 1ngz s VAL 151 N -2.77 1.04 0.13 -0.36 1.01 -1.26 -4.25 120.40 113.93 1ngz s VAL 151 Ca 0.32 -1.20 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1ngz s VAL 151 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ngz s VAL 151 CO 0.19 -0.19 -0.25 0.42 0.00 0.00 0.00 175.10 175.28 1ngz s THR 152 N -1.17 2.08 -0.03 3.92 -4.23 -0.06 -4.97 115.64 111.19 1ngz s THR 152 Ca -0.02 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1ngz s THR 152 Cb -0.09 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1ngz s THR 152 CO 0.02 0.02 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.41 1ngz s VAL 153 N -1.16 0.24 0.30 2.29 1.01 -1.26 -1.29 120.40 120.52 1ngz s VAL 153 Ca 0.12 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1ngz s VAL 153 Cb -0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1ngz s VAL 153 CO 0.06 0.14 0.03 -0.94 0.00 0.00 0.00 175.10 174.38 1ngz s SER 154 N 0.76 2.32 -0.05 3.32 1.04 -0.43 -4.95 113.70 115.72 1ngz s SER 154 Ca -0.08 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.08 1ngz s SER 154 Cb -0.11 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 1ngz s SER 154 CO -0.01 -0.54 -0.18 0.26 0.98 0.00 0.00 173.24 173.75 1ngz s TRP 155 N -3.27 1.78 -1.42 5.02 0.52 -1.26 -0.00 118.94 120.31 1ngz s TRP 155 Ca 0.34 -0.52 -0.04 0.00 0.02 0.00 0.00 56.10 55.90 1ngz s TRP 155 Cb 0.07 -1.20 0.03 0.00 -1.15 0.00 0.00 33.47 31.22 1ngz s TRP 155 CO 0.14 -0.18 0.65 0.09 0.02 0.00 0.00 176.95 177.67 1ngz n ASN 156 N 3.14 -1.63 -2.62 2.95 3.02 0.18 -1.03 115.26 119.28 1ngz n ASN 156 Ca -0.18 -0.90 -0.17 0.00 -0.03 0.00 0.00 54.58 53.30 1ngz n ASN 156 Cb 0.53 -3.53 -0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1ngz n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ngz n SER 157 N -2.96 -4.56 0.00 6.41 7.64 -1.26 -0.68 113.62 118.21 1ngz n SER 157 Ca -0.21 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1ngz n SER 157 Cb 0.64 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 1ngz n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngz n GLY 158 N -0.98 0.81 0.24 0.23 0.00 -0.20 -4.92 105.19 100.38 1ngz n GLY 158 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1ngz n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngz h ALA 159 N 0.00 1.00 -3.39 4.61 0.00 -0.70 -3.41 119.26 117.36 1ngz h ALA 159 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1ngz h ALA 159 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 1ngz h ALA 159 CO 0.00 0.00 -0.81 -1.17 0.00 0.00 0.00 179.25 177.27 1ngz s LEU 160 N -6.00 2.82 0.00 0.00 2.96 -0.92 -4.94 118.68 112.61 1ngz s LEU 160 Ca 0.03 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 1ngz s LEU 160 Cb 0.08 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1ngz s LEU 160 CO 0.57 -0.09 0.00 0.35 -1.32 0.00 0.00 176.35 175.85 1ngz n THR 161 N 4.56 0.00 -2.05 3.68 -2.24 -1.26 -4.05 114.28 112.91 1ngz n THR 161 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1ngz n THR 161 Cb 0.47 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1ngz n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ngz s SER 162 N -2.44 6.71 0.00 3.42 0.15 -1.26 -2.49 113.70 117.78 1ngz s SER 162 Ca 0.00 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1ngz s SER 162 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ngz s SER 162 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1ngz n GLY 163 N 3.46 0.79 3.75 9.45 0.00 -1.26 -4.79 105.19 116.59 1ngz n GLY 163 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1ngz n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngz s VAL 164 N -3.04 4.68 -0.21 1.61 1.01 -1.04 -2.86 120.40 120.55 1ngz s VAL 164 Ca 0.00 1.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 1ngz s VAL 164 Cb 0.00 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1ngz s VAL 164 CO 0.00 0.40 0.04 -1.00 0.00 0.00 0.00 175.10 174.53 1ngz s HIS 165 N -0.26 1.12 -0.35 5.22 3.76 0.45 -4.99 115.29 120.25 1ngz s HIS 165 Ca 0.37 -0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 54.23 1ngz s HIS 165 Cb -0.21 -1.09 0.02 0.00 1.11 0.00 0.00 32.58 32.41 1ngz s HIS 165 CO 0.23 -0.64 0.18 0.99 -0.85 0.00 0.00 174.74 174.65 1ngz s THR 166 N 1.82 4.46 0.58 1.30 2.01 -1.26 -0.79 115.64 123.76 1ngz s THR 166 Ca -0.00 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1ngz s THR 166 Cb -0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ngz s THR 166 CO -0.10 -0.15 1.05 -0.36 -0.69 0.00 0.00 174.62 174.38 1ngz s PHE 167 N 1.55 3.04 0.48 4.92 0.08 -0.64 -5.01 117.98 122.41 1ngz s PHE 167 Ca 0.02 1.51 -0.24 0.00 0.12 0.00 0.00 56.93 58.34 1ngz s PHE 167 Cb -0.19 -2.99 -0.07 0.00 -0.57 0.00 0.00 43.02 39.21 1ngz s PHE 167 CO 0.06 -1.02 1.37 -2.14 -0.10 0.00 0.00 175.22 173.39 1ngz s PRO 168 N -4.03 3.51 0.69 0.24 0.02 -1.26 -4.59 135.00 129.59 1ngz s PRO 168 Ca 0.63 2.27 -0.13 0.00 0.02 0.00 0.00 61.00 63.80 1ngz s PRO 168 Cb -0.15 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.89 1ngz s PRO 168 CO 0.35 -0.91 1.09 0.00 -0.33 0.00 0.00 177.00 177.21 1ngz s ALA 169 N -1.27 2.45 0.03 -1.55 0.00 -1.26 -4.79 121.76 115.37 1ngz s ALA 169 Ca 0.65 0.38 0.07 0.00 0.00 0.00 0.00 51.96 53.06 1ngz s ALA 169 Cb -0.41 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1ngz s ALA 169 CO 0.51 -1.39 -0.21 0.08 0.00 0.00 0.00 175.76 174.75 1ngz s VAL 170 N -2.62 1.68 -0.28 0.00 1.01 -0.03 -4.96 120.40 115.20 1ngz s VAL 170 Ca 0.64 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1ngz s VAL 170 Cb -0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1ngz s VAL 170 CO 0.47 0.25 0.62 -0.22 0.00 0.00 0.00 175.10 176.23 1ngz s LEU 171 N -1.08 4.11 0.66 3.92 2.96 -1.26 -1.89 118.68 126.10 1ngz s LEU 171 Ca 0.08 0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1ngz s LEU 171 Cb -0.09 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1ngz s LEU 171 CO 0.01 -0.43 1.05 -1.10 -1.32 0.00 0.00 176.35 174.57 1ngz s GLN 172 N 2.56 3.13 0.63 1.98 -0.21 -0.16 -4.94 119.66 122.65 1ngz s GLN 172 Ca 0.25 0.51 0.38 0.00 0.02 0.00 0.00 55.36 56.52 1ngz s GLN 172 Cb -0.15 -2.07 2.13 0.00 1.00 0.00 0.00 33.01 33.91 1ngz s GLN 172 CO 0.10 -0.83 2.30 0.66 -2.12 0.00 0.00 175.29 175.40 1ngz h SER 173 N -0.48 0.00 1.06 5.90 4.64 -1.97 -0.38 113.55 122.32 1ngz h SER 173 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ngz h SER 173 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ngz h SER 173 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1ngz n SER 174 N -3.41 0.77 0.00 4.97 3.41 -1.26 -4.88 113.62 113.22 1ngz n SER 174 Ca -0.03 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1ngz n SER 174 Cb 0.10 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1ngz n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngz n GLY 175 N 0.55 0.63 3.75 5.00 0.00 -0.15 -5.03 105.19 109.94 1ngz n GLY 175 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1ngz n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngz s LEU 176 N 0.00 3.66 0.43 0.99 1.43 -1.26 -4.85 118.68 119.09 1ngz s LEU 176 Ca 0.00 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1ngz s LEU 176 Cb 0.00 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1ngz s LEU 176 CO 0.00 0.11 0.67 -0.31 0.23 0.00 0.00 176.35 177.04 1ngz s TYR 177 N -1.61 3.37 -0.14 0.29 2.02 0.10 -0.99 117.35 120.38 1ngz s TYR 177 Ca 0.29 0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 57.17 1ngz s TYR 177 Cb -0.11 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1ngz s TYR 177 CO 0.21 -0.23 0.54 -1.54 -1.57 0.00 0.00 175.55 172.97 1ngz s SER 178 N -4.15 -0.53 0.08 2.29 1.04 -0.79 -0.37 113.70 111.26 1ngz s SER 178 Ca 0.46 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.56 1ngz s SER 178 Cb -0.10 0.86 0.04 0.00 0.10 0.00 0.00 66.02 66.92 1ngz s SER 178 CO 0.39 -0.33 0.42 -1.48 0.98 0.00 0.00 173.24 173.22 1ngz s LEU 179 N -0.32 0.32 0.10 2.42 0.05 -0.13 -0.85 118.68 120.27 1ngz s LEU 179 Ca -0.05 -0.10 0.10 0.00 0.05 0.00 0.00 54.13 54.13 1ngz s LEU 179 Cb -0.03 1.84 -0.04 0.00 -2.05 0.00 0.00 46.19 45.91 1ngz s LEU 179 CO 0.03 -0.75 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.40 1ngz s SER 180 N -2.31 3.06 -0.09 1.48 0.01 -1.26 -0.29 113.70 114.30 1ngz s SER 180 Ca -0.02 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1ngz s SER 180 Cb 0.00 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1ngz s SER 180 CO -0.06 0.17 -0.13 -0.55 0.41 0.00 0.00 173.24 173.08 1ngz s SER 181 N -1.78 2.08 0.29 2.44 0.15 -0.59 -1.62 113.70 114.67 1ngz s SER 181 Ca 0.11 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1ngz s SER 181 Cb -0.10 -0.93 -0.06 0.00 -1.71 0.00 0.00 66.02 63.22 1ngz s SER 181 CO 0.04 0.01 0.02 0.68 1.20 0.00 0.00 173.24 175.19 1ngz s VAL 182 N 0.89 1.23 -0.16 4.45 -7.23 0.03 -0.55 120.40 119.07 1ngz s VAL 182 Ca -0.10 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 1ngz s VAL 182 Cb -0.15 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.26 1ngz s VAL 182 CO 0.01 -0.16 0.53 0.54 -0.31 0.00 0.00 175.10 175.71 1ngz s VAL 183 N -3.28 0.01 -0.11 1.32 0.11 -0.18 -0.41 120.40 117.86 1ngz s VAL 183 Ca 0.33 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1ngz s VAL 183 Cb 0.07 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ngz s VAL 183 CO 0.13 -0.03 0.07 0.42 -3.33 0.00 0.00 175.10 172.36 1ngz s THR 184 N -0.15 4.93 0.13 5.04 -4.23 -1.14 -1.75 115.64 118.48 1ngz s THR 184 Ca -0.03 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1ngz s THR 184 Cb -0.03 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 1ngz s THR 184 CO 0.03 0.60 0.16 0.68 -0.54 0.00 0.00 174.62 175.54 1ngz s VAL 185 N -0.80 0.10 0.27 2.29 -7.23 -0.00 -4.80 120.40 110.22 1ngz s VAL 185 Ca 0.13 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1ngz s VAL 185 Cb -0.12 -1.86 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 1ngz s VAL 185 CO 0.03 -0.45 1.39 -2.84 -0.31 0.00 0.00 175.10 172.92 1ngz s PRO 186 N -3.99 4.30 0.43 4.82 0.02 -1.26 -0.23 135.00 139.09 1ngz s PRO 186 Ca 0.18 2.27 0.10 0.00 0.02 0.00 0.00 61.00 63.57 1ngz s PRO 186 Cb 0.06 -3.10 0.97 0.00 0.02 0.00 0.00 34.50 32.44 1ngz s PRO 186 CO -0.01 -0.35 2.05 0.77 -0.33 0.00 0.00 177.00 179.14 1ngz h SER 187 N 4.54 0.37 0.25 2.53 0.02 -1.11 -0.47 113.55 119.69 1ngz h SER 187 Ca -0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1ngz h SER 187 Cb 1.22 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ngz h SER 187 CO 0.74 0.26 0.00 -1.54 -1.14 0.00 0.00 176.83 175.15 1ngz n SER 188 N -4.48 0.00 0.01 3.07 3.41 -1.26 -2.35 113.62 112.02 1ngz n SER 188 Ca 0.04 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1ngz n SER 188 Cb 0.15 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1ngz n SER 188 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ngz n SER 189 N -1.32 0.63 0.03 4.04 3.41 -0.18 -4.43 113.62 115.80 1ngz n SER 189 Ca 0.05 -0.46 0.19 0.00 -0.26 0.00 0.00 58.87 58.39 1ngz n SER 189 Cb 0.10 1.09 0.69 0.00 -0.26 0.00 0.00 64.21 65.84 1ngz n SER 189 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ngz h LEU 190 N 0.00 0.00 -2.16 1.04 3.38 -1.55 -0.14 115.31 115.88 1ngz h LEU 190 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ngz h LEU 190 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ngz h LEU 190 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1ngz n GLY 191 N -1.62 1.48 0.00 0.83 0.00 -1.26 -4.42 105.19 100.19 1ngz n GLY 191 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1ngz n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngz n THR 192 N 1.39 0.00 -4.49 2.61 -2.24 -0.55 -5.05 114.28 105.95 1ngz n THR 192 Ca 0.18 -0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1ngz n THR 192 Cb 0.59 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 1ngz n THR 192 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ngz s GLN 193 N -0.95 1.15 0.10 -0.78 2.00 -0.17 -5.12 119.66 115.90 1ngz s GLN 193 Ca 0.00 -0.37 -0.20 0.00 -2.00 0.00 0.00 55.36 52.79 1ngz s GLN 193 Cb 0.00 -1.05 -0.07 0.00 0.80 0.00 0.00 33.01 32.69 1ngz s GLN 193 CO 0.00 0.13 0.61 -0.08 -0.50 0.00 0.00 175.29 175.46 1ngz s THR 194 N 0.19 4.68 -0.19 -0.34 -1.32 -1.26 -4.69 115.64 112.70 1ngz s THR 194 Ca -0.04 1.27 0.01 0.00 -1.21 0.00 0.00 61.69 61.73 1ngz s THR 194 Cb -0.09 -3.92 0.03 0.00 -1.51 0.00 0.00 72.50 67.00 1ngz s THR 194 CO 0.01 0.51 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.43 1ngz s TYR 195 N -1.17 2.85 -0.08 9.09 2.02 -1.26 -4.95 117.35 123.86 1ngz s TYR 195 Ca 0.32 -1.75 0.02 0.00 -0.37 0.00 0.00 57.07 55.28 1ngz s TYR 195 Cb -0.20 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1ngz s TYR 195 CO 0.20 -0.82 -0.12 0.42 -1.57 0.00 0.00 175.55 173.67 1ngz s ILE 196 N 1.26 1.15 -0.09 2.71 1.01 -1.26 -0.30 121.20 125.69 1ngz s ILE 196 Ca 0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1ngz s ILE 196 Cb -0.14 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 1ngz s ILE 196 CO -0.12 0.37 0.38 0.00 0.00 0.00 0.00 174.94 175.57 1ngz s ASN 198 N -0.14 5.86 -0.17 0.00 -0.87 1.00 -1.06 114.94 119.56 1ngz s ASN 198 Ca 0.22 -1.14 -0.06 0.00 -1.57 0.00 0.00 52.86 50.31 1ngz s ASN 198 Cb -0.15 -2.07 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 1ngz s ASN 198 CO 0.09 -0.47 0.04 -0.69 -2.57 0.00 0.00 177.10 173.50 1ngz s VAL 199 N 1.57 4.56 -0.08 1.60 1.01 -0.25 -1.31 120.40 127.50 1ngz s VAL 199 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1ngz s VAL 199 Cb -0.21 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1ngz s VAL 199 CO 0.06 0.47 -0.13 0.21 0.00 0.00 0.00 175.10 175.71 1ngz s ASN 200 N 0.35 2.03 -0.61 3.32 2.47 -0.41 -0.84 114.94 121.25 1ngz s ASN 200 Ca 0.01 -0.34 0.04 0.00 0.42 0.00 0.00 52.86 53.00 1ngz s ASN 200 Cb -0.13 -0.92 0.15 0.00 -1.45 0.00 0.00 41.25 38.91 1ngz s ASN 200 CO 0.01 0.02 0.39 -2.28 -3.72 0.00 0.00 177.10 171.52 1ngz s HIS 201 N 0.80 3.26 0.35 0.43 5.65 0.12 -0.88 115.29 125.02 1ngz s HIS 201 Ca -0.12 -3.20 0.08 0.00 0.25 0.00 0.00 55.06 52.07 1ngz s HIS 201 Cb -0.15 -2.65 0.78 0.00 -1.18 0.00 0.00 32.58 29.37 1ngz s HIS 201 CO 0.02 -0.64 1.88 0.87 -0.65 0.00 0.00 174.74 176.21 1ngz h LYS 202 N 5.90 0.72 -0.26 2.88 1.57 -1.77 -1.29 116.57 124.31 1ngz h LYS 202 Ca 0.05 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1ngz h LYS 202 Cb 0.82 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1ngz h LYS 202 CO 0.68 0.47 0.28 -1.35 -0.57 0.00 0.00 179.45 178.96 1ngz h PRO 203 N 0.74 0.00 -0.15 3.15 0.11 -1.89 0.14 132.00 134.10 1ngz h PRO 203 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1ngz h PRO 203 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1ngz h PRO 203 CO -0.20 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.46 1ngz n SER 204 N -3.83 2.28 -3.45 -2.05 3.41 -0.76 -4.96 113.62 104.26 1ngz n SER 204 Ca 0.04 -1.81 -0.25 0.00 -0.26 0.00 0.00 58.87 56.58 1ngz n SER 204 Cb 0.42 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.28 1ngz n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ngz n ASN 205 N 0.16 -4.31 -4.67 4.04 4.05 0.49 -4.94 115.26 110.07 1ngz n ASN 205 Ca 0.06 -0.47 -0.35 0.00 0.45 0.00 0.00 54.58 54.27 1ngz n ASN 205 Cb 0.30 -3.52 -0.09 0.00 1.23 0.00 0.00 39.78 37.70 1ngz n ASN 205 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1ngz s THR 206 N -3.06 4.61 0.02 -0.44 2.01 -0.68 -4.98 115.64 113.13 1ngz s THR 206 Ca 0.45 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1ngz s THR 206 Cb -0.23 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1ngz s THR 206 CO 0.55 0.54 -0.06 -0.75 -0.69 0.00 0.00 174.62 174.22 1ngz s LYS 207 N -0.27 0.42 -0.23 4.92 2.20 -1.26 0.14 119.74 125.67 1ngz s LYS 207 Ca 0.07 -0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 55.11 1ngz s LYS 207 Cb -0.12 -0.29 0.07 0.00 -1.51 0.00 0.00 37.83 35.98 1ngz s LYS 207 CO 0.02 0.06 0.57 0.54 -0.36 0.00 0.00 175.35 176.18 1ngz s VAL 208 N -0.73 -0.01 -0.27 4.02 0.11 -0.02 -5.02 120.40 118.49 1ngz s VAL 208 Ca -0.04 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 1ngz s VAL 208 Cb -0.06 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1ngz s VAL 208 CO -0.00 0.02 0.14 -1.81 -3.33 0.00 0.00 175.10 170.11 1ngz s ASP 209 N 1.43 5.63 -0.20 3.54 1.01 -1.26 -1.09 116.67 125.74 1ngz s ASP 209 Ca -0.09 -0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.04 1ngz s ASP 209 Cb -0.06 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1ngz s ASP 209 CO -0.15 -0.05 -0.10 -0.75 0.21 0.00 0.00 175.17 174.32 1ngz s LYS 210 N 1.69 3.24 0.02 8.23 2.47 -0.23 -4.94 119.74 130.23 1ngz s LYS 210 Ca 0.07 -0.70 -0.30 0.00 -1.56 0.00 0.00 55.97 53.48 1ngz s LYS 210 Cb -0.16 -2.83 -0.04 0.00 -1.46 0.00 0.00 37.83 33.34 1ngz s LYS 210 CO 0.08 -0.18 0.97 0.21 0.16 0.00 0.00 175.35 176.58 1ngz s LYS 211 N 1.35 4.58 -0.25 4.03 2.20 -1.26 -0.99 119.74 129.40 1ngz s LYS 211 Ca 0.04 1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 57.02 1ngz s LYS 211 Cb -0.14 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1ngz s LYS 211 CO -0.06 0.01 -0.01 0.08 -0.36 0.00 0.00 175.35 175.01 1ngz s VAL 212 N 0.78 3.47 0.23 4.02 1.01 0.58 -4.97 120.40 125.53 1ngz s VAL 212 Ca 0.50 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1ngz s VAL 212 Cb -0.21 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1ngz s VAL 212 CO 0.28 0.27 -0.05 -1.61 0.00 0.00 0.00 175.10 173.99 1ngz s GLU 213 N 1.45 1.36 0.59 2.72 2.02 -1.26 -4.35 118.70 121.23 1ngz s GLU 213 Ca 0.04 -1.67 -0.20 0.00 0.02 0.00 0.00 54.97 53.16 1ngz s GLU 213 Cb -0.16 -0.84 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 1ngz s GLU 213 CO -0.02 -0.00 1.27 -2.14 0.02 0.00 0.00 175.26 174.40 1ngz s PRO 214 N -3.78 2.93 0.06 0.39 0.02 -1.26 -4.49 135.00 128.87 1ngz s PRO 214 Ca 0.26 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.99 1ngz s PRO 214 Cb 0.04 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1ngz s PRO 214 CO 0.08 -1.29 0.97 0.21 -0.33 0.00 0.00 177.00 176.65 1ngz s LYS 215 N -3.19 4.64 -0.09 5.54 2.20 -1.26 -5.02 119.74 122.55 1ngz s LYS 215 Ca 0.77 1.44 0.03 0.00 -0.36 0.00 0.00 55.97 57.84 1ngz s LYS 215 Cb -0.35 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1ngz s LYS 215 CO 0.39 0.09 -0.17 0.45 -0.36 0.00 0.00 175.35 175.75 1ngz s SER 216 N 0.45 2.40 0.52 1.43 0.15 -1.26 -5.01 113.70 112.39 1ngz s SER 216 Ca 0.49 -0.42 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1ngz s SER 216 Cb -0.22 -1.10 1.46 0.00 -1.71 0.00 0.00 66.02 64.45 1ngz s SER 216 CO 0.29 0.07 2.09 0.00 1.20 0.00 0.00 173.24 176.89 1ngz h ASP 218 N 0.00 0.10 -3.90 0.00 3.45 -2.03 -3.45 116.42 110.59 1ngz h ASP 218 Ca -0.00 -0.06 -0.49 0.00 0.43 0.00 0.00 57.03 56.91 1ngz h ASP 218 Cb 0.29 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 1ngz h ASP 218 CO 0.01 0.71 0.22 -0.54 -1.57 0.00 0.00 179.24 178.08 1ngz s LYS 219 N -3.62 3.82 0.00 3.56 1.02 -1.01 -5.32 119.74 118.19 1ngz s LYS 219 Ca -0.02 0.64 0.26 0.00 0.02 0.00 0.00 55.97 56.86 1ngz s LYS 219 Cb 0.12 -2.28 0.52 0.00 -0.52 0.00 0.00 37.83 35.67 1ngz s LYS 219 CO 0.78 -0.15 1.45 0.25 -0.92 0.00 0.00 175.35 176.75