#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb s LEU 4 N 0.00 3.92 -0.39 1.34 1.43 -1.26 -4.37 118.68 119.34 3ngb s LEU 4 Ca 0.00 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3ngb s LEU 4 Cb 0.00 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3ngb s LEU 4 CO 0.00 -1.43 0.28 -0.89 0.23 0.00 0.00 176.35 174.54 3ngb s THR 5 N 4.44 5.18 0.10 5.49 2.01 -1.06 -4.62 115.64 127.16 3ngb s THR 5 Ca 0.31 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3ngb s THR 5 Cb -0.12 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3ngb s THR 5 CO 0.17 -0.25 0.17 -1.58 -0.69 0.00 0.00 174.62 172.44 3ngb s GLN 6 N 1.67 3.20 -0.12 4.92 0.74 -1.26 -1.57 119.66 127.24 3ngb s GLN 6 Ca 0.05 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 3ngb s GLN 6 Cb -0.19 -2.88 0.12 0.00 1.10 0.00 0.00 33.01 31.16 3ngb s GLN 6 CO 0.10 0.56 0.97 -1.54 -0.55 0.00 0.00 175.29 174.83 3ngb s SER 7 N -2.68 -0.37 1.07 6.67 1.04 -0.82 -4.74 113.70 113.88 3ngb s SER 7 Ca 0.33 0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.87 3ngb s SER 7 Cb -0.12 0.32 0.24 0.00 0.10 0.00 0.00 66.02 66.57 3ngb s SER 7 CO 0.26 -0.42 1.24 -2.84 0.98 0.00 0.00 173.24 172.46 3ngb s PRO 8 N -1.69 -0.24 0.08 4.02 0.02 -1.26 -1.72 135.00 134.21 3ngb s PRO 8 Ca 0.00 -0.31 -0.11 0.00 0.02 0.00 0.00 61.00 60.60 3ngb s PRO 8 Cb -0.01 -1.73 -0.23 0.00 0.02 0.00 0.00 34.50 32.55 3ngb s PRO 8 CO -0.01 -3.02 1.17 0.78 -0.33 0.00 0.00 177.00 175.59 3ngb h GLY 9 N -2.08 0.62 -4.31 0.52 0.00 -1.85 -3.41 103.07 92.57 3ngb h GLY 9 Ca -0.44 -1.23 -0.37 0.00 0.00 0.00 0.00 47.33 45.29 3ngb h GLY 9 CO 0.34 1.08 -0.76 -1.59 0.00 0.00 0.00 176.54 175.62 3ngb s THR 10 N -3.09 0.98 -0.24 4.70 2.01 -1.26 -2.11 115.64 116.63 3ngb s THR 10 Ca -0.08 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.52 3ngb s THR 10 Cb 0.07 -1.07 0.09 0.00 0.01 0.00 0.00 72.50 71.60 3ngb s THR 10 CO 0.91 -0.34 0.15 -0.22 -0.69 0.00 0.00 174.62 174.43 3ngb s LEU 11 N -1.90 0.30 -0.35 4.42 2.96 0.18 -4.89 118.68 119.40 3ngb s LEU 11 Ca -0.01 -0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 52.86 3ngb s LEU 11 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 3ngb s LEU 11 CO 0.01 -0.39 0.45 -0.44 -1.32 0.00 0.00 176.35 174.67 3ngb s SER 12 N 2.17 6.26 0.20 3.68 0.01 -1.26 -1.53 113.70 123.23 3ngb s SER 12 Ca 0.06 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 3ngb s SER 12 Cb -0.16 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3ngb s SER 12 CO -0.24 -0.42 0.12 -0.76 0.41 0.00 0.00 173.24 172.35 3ngb s LEU 13 N 2.23 1.26 0.00 2.44 1.43 -0.65 -4.84 118.68 120.56 3ngb s LEU 13 Ca 0.16 -1.37 0.02 0.00 -1.03 0.00 0.00 54.13 51.91 3ngb s LEU 13 Cb -0.16 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.37 3ngb s LEU 13 CO 0.13 -0.82 -0.02 -0.44 0.23 0.00 0.00 176.35 175.43 3ngb s SER 14 N -3.16 4.97 -0.68 2.29 0.01 -1.26 -0.39 113.70 115.49 3ngb s SER 14 Ca 0.37 -0.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.31 3ngb s SER 14 Cb 0.07 -1.26 -0.13 0.00 0.21 0.00 0.00 66.02 64.92 3ngb s SER 14 CO 0.11 0.28 2.50 -2.65 0.41 0.00 0.00 173.24 173.89 3ngb n PRO 15 N 1.42 0.67 0.00 12.44 -0.02 -1.26 -1.53 135.00 146.71 3ngb n PRO 15 Ca -0.15 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3ngb n PRO 15 Cb 0.53 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3ngb n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 16 N 6.19 1.26 2.87 -1.23 0.00 -1.19 -4.94 105.19 108.16 3ngb n GLY 16 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 3ngb n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ngb n GLU 17 N 0.00 -1.68 -4.79 1.61 1.02 -0.58 -4.56 120.64 111.66 3ngb n GLU 17 Ca 0.00 -1.49 -0.33 0.00 -0.02 0.00 0.00 57.16 55.32 3ngb n GLU 17 Cb 0.00 -1.14 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 3ngb n GLU 17 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3ngb s THR 18 N -2.95 2.64 0.02 2.62 -4.23 -1.26 -2.86 115.64 109.62 3ngb s THR 18 Ca 0.57 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 60.12 3ngb s THR 18 Cb -0.03 -2.09 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 3ngb s THR 18 CO 0.41 0.53 0.46 0.00 -0.54 0.00 0.00 174.62 175.49 3ngb s ALA 19 N 0.53 3.66 -0.24 3.99 0.00 -0.99 -4.94 121.76 123.78 3ngb s ALA 19 Ca -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3ngb s ALA 19 Cb -0.16 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.55 3ngb s ALA 19 CO 0.04 0.45 -0.00 0.42 0.00 0.00 0.00 175.76 176.67 3ngb s ILE 20 N -1.07 1.19 -0.12 0.00 1.01 -1.26 -2.07 121.20 118.88 3ngb s ILE 20 Ca 0.26 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3ngb s ILE 20 Cb -0.18 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3ngb s ILE 20 CO 0.15 -0.24 -0.03 -0.63 0.00 0.00 0.00 174.94 174.19 3ngb s ILE 21 N 1.53 3.96 0.20 2.92 1.01 0.07 -4.72 121.20 126.17 3ngb s ILE 21 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.39 3ngb s ILE 21 Cb -0.18 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3ngb s ILE 21 CO -0.09 0.54 -0.18 -0.94 0.00 0.00 0.00 174.94 174.27 3ngb s SER 22 N -0.21 3.73 -0.28 3.58 1.04 -0.70 -0.07 113.70 120.79 3ngb s SER 22 Ca 0.04 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3ngb s SER 22 Cb -0.13 -0.42 0.15 0.00 0.10 0.00 0.00 66.02 65.72 3ngb s SER 22 CO 0.02 0.11 0.35 0.00 0.98 0.00 0.00 173.24 174.70 3ngb s ARG 24 N 2.46 3.86 0.57 0.00 3.52 -0.61 -2.25 118.95 126.51 3ngb s ARG 24 Ca 0.10 0.34 0.09 0.00 -0.13 0.00 0.00 55.73 56.13 3ngb s ARG 24 Cb -0.13 -3.75 0.08 0.00 -1.56 0.00 0.00 34.95 29.59 3ngb s ARG 24 CO -0.30 -0.66 0.76 -0.08 -0.81 0.00 0.00 175.30 174.21 3ngb s THR 25 N 2.77 2.09 0.00 4.11 -1.32 -0.40 -2.57 115.64 120.33 3ngb s THR 25 Ca 0.28 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 3ngb s THR 25 Cb -0.14 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 3ngb s THR 25 CO 0.13 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.30 3ngb n SER 26 N -2.21 0.71 -4.93 8.08 2.88 -1.26 -4.67 113.62 112.22 3ngb n SER 26 Ca 0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.43 3ngb n SER 26 Cb 0.62 0.03 0.06 0.00 -0.75 0.00 0.00 64.21 64.17 3ngb n SER 26 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3ngb s GLN 27 N -1.17 2.27 -0.40 -1.46 2.00 -1.26 -5.03 119.66 114.62 3ngb s GLN 27 Ca 0.00 -0.31 -0.26 0.00 -2.00 0.00 0.00 55.36 52.79 3ngb s GLN 27 Cb 0.00 -2.21 0.02 0.00 0.80 0.00 0.00 33.01 31.62 3ngb s GLN 27 CO 0.00 -1.15 0.94 -0.47 -0.50 0.00 0.00 175.29 174.10 3ngb s TYR 28 N -3.18 3.03 -0.12 1.67 6.14 -1.26 -4.98 117.35 118.65 3ngb s TYR 28 Ca 0.59 0.68 -0.33 0.00 0.64 0.00 0.00 57.07 58.65 3ngb s TYR 28 Cb -0.11 -3.76 0.13 0.00 0.42 0.00 0.00 41.96 38.64 3ngb s TYR 28 CO 0.44 -0.91 1.24 0.20 0.64 0.00 0.00 175.55 177.16 3ngb s GLY 29 N 2.00 -0.34 -0.27 8.97 0.00 -1.26 -5.09 107.32 111.33 3ngb s GLY 29 Ca 0.38 1.22 -0.17 0.00 0.00 0.00 0.00 44.72 46.15 3ngb s GLY 29 CO 0.21 0.36 0.48 -1.35 0.00 0.00 0.00 173.10 172.81 3ngb s SER 30 N -2.51 6.39 0.12 1.64 1.04 -1.26 -5.06 113.70 114.06 3ngb s SER 30 Ca 0.11 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.76 3ngb s SER 30 Cb 0.01 -2.26 -0.07 0.00 0.10 0.00 0.00 66.02 63.80 3ngb s SER 30 CO -0.04 -0.28 0.66 -0.22 0.98 0.00 0.00 173.24 174.34 3ngb s LEU 33 N 2.27 4.54 0.35 2.42 0.20 -1.26 -4.46 118.68 122.73 3ngb s LEU 33 Ca 0.20 1.42 0.05 0.00 0.69 0.00 0.00 54.13 56.49 3ngb s LEU 33 Cb -0.16 -3.12 -0.07 0.00 -0.43 0.00 0.00 46.19 42.42 3ngb s LEU 33 CO 0.10 0.23 0.03 0.00 -0.29 0.00 0.00 176.35 176.41 3ngb s ALA 34 N -1.17 2.60 0.09 5.97 0.00 -0.18 -1.21 121.76 127.86 3ngb s ALA 34 Ca 0.33 -2.12 0.06 0.00 0.00 0.00 0.00 51.96 50.23 3ngb s ALA 34 Cb -0.21 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3ngb s ALA 34 CO 0.22 -0.23 -0.15 -1.58 0.00 0.00 0.00 175.76 174.02 3ngb s TRP 35 N -3.10 1.36 0.01 0.00 0.52 0.71 -0.65 118.94 117.79 3ngb s TRP 35 Ca 0.35 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 56.01 3ngb s TRP 35 Cb 0.09 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.65 3ngb s TRP 35 CO 0.16 0.10 -0.04 0.71 0.02 0.00 0.00 176.95 177.90 3ngb s TYR 36 N -1.45 0.34 -0.01 -1.98 1.51 0.08 -2.12 117.35 113.74 3ngb s TYR 36 Ca 0.02 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 3ngb s TYR 36 Cb -0.09 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.51 3ngb s TYR 36 CO 0.03 -0.04 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.16 3ngb s GLN 37 N -0.48 2.39 -0.23 -0.62 0.74 -0.32 -1.39 119.66 119.74 3ngb s GLN 37 Ca -0.03 -0.79 -0.04 0.00 0.05 0.00 0.00 55.36 54.56 3ngb s GLN 37 Cb -0.04 -2.36 0.08 0.00 1.10 0.00 0.00 33.01 31.79 3ngb s GLN 37 CO -0.00 0.59 0.09 -1.14 -0.55 0.00 0.00 175.29 174.28 3ngb s GLN 38 N -1.16 0.35 0.37 1.67 0.74 -0.23 -0.17 119.66 121.22 3ngb s GLN 38 Ca 0.14 -0.45 -0.24 0.00 0.05 0.00 0.00 55.36 54.86 3ngb s GLN 38 Cb -0.11 -1.72 -0.10 0.00 1.10 0.00 0.00 33.01 32.18 3ngb s GLN 38 CO 0.04 -0.82 0.95 1.03 -0.55 0.00 0.00 175.29 175.95 3ngb s ARG 39 N 1.98 4.43 -0.10 1.67 0.52 -1.26 -2.27 118.95 123.92 3ngb s ARG 39 Ca 0.05 1.26 -0.39 0.00 -0.52 0.00 0.00 55.73 56.13 3ngb s ARG 39 Cb -0.16 -2.56 -0.16 0.00 0.52 0.00 0.00 34.95 32.58 3ngb s ARG 39 CO -0.20 0.14 1.52 -2.30 0.02 0.00 0.00 175.30 174.48 3ngb n PRO 40 N 0.09 1.07 0.00 3.54 -0.02 -1.26 -1.70 135.00 136.71 3ngb n PRO 40 Ca 0.04 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3ngb n PRO 40 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3ngb n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 41 N 3.27 2.08 3.71 -1.23 0.00 -1.26 -4.99 105.19 106.77 3ngb n GLY 41 Ca 0.22 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3ngb n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ngb s GLN 42 N 0.00 -0.30 0.29 1.61 -0.21 -0.69 -5.06 119.66 115.31 3ngb s GLN 42 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.29 3ngb s GLN 42 Cb 0.00 -1.70 -0.05 0.00 1.00 0.00 0.00 33.01 32.26 3ngb s GLN 42 CO 0.00 -3.10 0.53 0.00 -2.12 0.00 0.00 175.29 170.60 3ngb s ALA 43 N -3.26 3.66 0.73 6.09 0.00 -1.26 -4.67 121.76 123.05 3ngb s ALA 43 Ca 0.70 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 3ngb s ALA 43 Cb -0.10 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 3ngb s ALA 43 CO 0.55 0.22 0.76 -2.30 0.00 0.00 0.00 175.76 174.99 3ngb n PRO 44 N -1.04 0.36 -4.19 0.00 -0.02 -1.26 -4.66 135.00 124.19 3ngb n PRO 44 Ca -0.03 0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 61.46 3ngb n PRO 44 Cb 0.54 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.84 3ngb n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ngb s ARG 45 N -3.12 0.48 -0.13 -0.52 3.52 0.76 -4.95 118.95 114.99 3ngb s ARG 45 Ca 0.69 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.80 3ngb s ARG 45 Cb -0.34 -0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 32.57 3ngb s ARG 45 CO 0.55 0.11 1.10 -1.17 -0.81 0.00 0.00 175.30 175.08 3ngb s LEU 46 N -0.07 4.21 -0.11 -0.88 2.96 -1.26 -1.17 118.68 122.36 3ngb s LEU 46 Ca 0.01 1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 55.39 3ngb s LEU 46 Cb -0.03 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3ngb s LEU 46 CO -0.00 -0.58 -0.25 0.52 -1.32 0.00 0.00 176.35 174.72 3ngb n VAL 47 N 4.85 1.31 -4.48 1.68 0.31 -0.90 -4.76 118.33 116.36 3ngb n VAL 47 Ca 0.11 0.22 -0.22 0.00 -0.01 0.00 0.00 64.34 64.44 3ngb n VAL 47 Cb 0.47 -2.11 -0.14 0.00 -0.91 0.00 0.00 33.84 31.15 3ngb n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ngb s ILE 48 N -2.55 1.23 0.06 2.52 -1.09 -1.23 -1.06 121.20 119.07 3ngb s ILE 48 Ca -0.21 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.25 3ngb s ILE 48 Cb 0.03 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.78 3ngb s ILE 48 CO 0.30 0.11 -0.04 -0.72 -1.23 0.00 0.00 174.94 173.37 3ngb s TYR 49 N -0.73 0.59 -1.88 3.97 1.13 -0.35 -0.21 117.35 119.87 3ngb s TYR 49 Ca 0.04 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 3ngb s TYR 49 Cb -0.08 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 3ngb s TYR 49 CO 0.01 -0.31 0.00 0.45 -2.51 0.00 0.00 175.55 173.19 3ngb n SER 50 N 0.22 -5.66 0.00 -0.18 2.88 -1.07 -2.08 113.62 107.73 3ngb n SER 50 Ca -0.15 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3ngb n SER 50 Cb 0.60 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 3ngb n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ngb n GLY 51 N -0.80 2.28 0.00 0.46 0.00 -0.35 -4.42 105.19 102.36 3ngb n GLY 51 Ca -0.23 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3ngb n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ngb n SER 52 N 3.45 0.52 -4.61 1.61 3.41 -1.23 -4.45 113.62 112.31 3ngb n SER 52 Ca 0.00 -0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.00 3ngb n SER 52 Cb 0.00 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3ngb n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ngb s THR 53 N -0.56 3.37 0.44 6.66 2.01 -0.88 -4.54 115.64 122.13 3ngb s THR 53 Ca 0.00 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 3ngb s THR 53 Cb 0.00 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 3ngb s THR 53 CO 0.00 -0.27 1.20 -0.60 -0.69 0.00 0.00 174.62 174.27 3ngb s ARG 54 N 5.62 3.86 0.01 4.92 3.52 -1.26 -1.21 118.95 134.40 3ngb s ARG 54 Ca 0.84 1.89 -0.00 0.00 -0.13 0.00 0.00 55.73 58.33 3ngb s ARG 54 Cb -0.27 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3ngb s ARG 54 CO 0.34 -0.50 0.01 0.00 -0.81 0.00 0.00 175.30 174.34 3ngb n ALA 55 N -0.22 -0.01 -2.65 6.12 0.00 -0.22 -4.88 120.51 118.64 3ngb n ALA 55 Ca 0.06 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3ngb n ALA 55 Cb 0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 3ngb n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ngb s ALA 56 N -3.81 3.56 0.00 0.00 0.00 -1.26 -3.77 121.76 116.47 3ngb s ALA 56 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3ngb s ALA 56 Cb -0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3ngb s ALA 56 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3ngb n GLY 57 N 3.99 0.78 3.71 0.00 0.00 -1.26 -5.06 105.19 107.35 3ngb n GLY 57 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3ngb n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ngb s ILE 58 N -2.15 5.30 0.63 -0.61 -1.09 -1.25 -5.07 121.20 116.96 3ngb s ILE 58 Ca 0.00 0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 58.76 3ngb s ILE 58 Cb 0.00 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3ngb s ILE 58 CO 0.00 0.36 1.08 -2.65 -1.23 0.00 0.00 174.94 172.50 3ngb n PRO 59 N 3.86 0.95 0.00 2.79 -0.02 -1.26 -4.85 135.00 136.47 3ngb n PRO 59 Ca -0.12 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.76 3ngb n PRO 59 Cb 0.52 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.81 3ngb n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ngb n ASP 60 N -1.23 0.00 0.09 2.55 5.68 -1.26 -2.67 116.55 119.71 3ngb n ASP 60 Ca 0.15 -1.11 -0.12 0.00 -0.50 0.00 0.00 54.79 53.20 3ngb n ASP 60 Cb 0.48 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.33 3ngb n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ngb h ARG 61 N 0.00 0.18 -6.34 0.11 3.08 -1.94 -3.44 114.38 106.03 3ngb h ARG 61 Ca 0.00 -0.29 -0.55 0.00 0.07 0.00 0.00 59.98 59.21 3ngb h ARG 61 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3ngb h ARG 61 CO 0.00 1.13 0.67 -0.06 -1.07 0.00 0.00 179.97 180.64 3ngb s PHE 62 N -2.72 3.24 0.00 3.04 0.40 -1.09 -2.32 117.98 118.54 3ngb s PHE 62 Ca -0.02 1.24 -0.02 0.00 -0.60 0.00 0.00 56.93 57.53 3ngb s PHE 62 Cb 0.08 -3.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 3ngb s PHE 62 CO 0.86 -1.28 0.03 -1.54 0.70 0.00 0.00 175.22 173.99 3ngb s SER 63 N 1.40 0.09 -0.05 1.36 1.04 -0.61 -4.96 113.70 111.96 3ngb s SER 63 Ca 0.56 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.82 3ngb s SER 63 Cb -0.25 0.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ngb s SER 63 CO 0.23 -0.20 -0.19 -0.83 0.98 0.00 0.00 173.24 173.23 3ngb s GLY 64 N -0.87 1.03 0.29 7.32 0.00 -1.26 -0.91 107.32 112.92 3ngb s GLY 64 Ca -0.10 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 43.92 3ngb s GLY 64 CO -0.00 -0.38 -0.06 -1.35 0.00 0.00 0.00 173.10 171.31 3ngb s SER 65 N 0.07 2.91 -0.23 1.64 1.04 -0.19 -4.41 113.70 114.54 3ngb s SER 65 Ca -0.06 -1.20 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 3ngb s SER 65 Cb -0.13 -0.20 0.07 0.00 0.10 0.00 0.00 66.02 65.86 3ngb s SER 65 CO 0.03 -0.33 0.57 -0.60 0.98 0.00 0.00 173.24 173.89 3ngb s ARG 66 N -3.71 0.61 -0.40 4.02 3.00 -1.26 -0.70 118.95 120.50 3ngb s ARG 66 Ca 0.30 0.96 0.01 0.00 -1.00 0.00 0.00 55.73 56.00 3ngb s ARG 66 Cb 0.04 0.16 0.14 0.00 0.00 0.00 0.00 34.95 35.28 3ngb s ARG 66 CO 0.13 -0.13 0.22 -0.46 0.00 0.00 0.00 175.30 175.06 3ngb s TRP 67 N 1.11 1.52 0.00 5.12 -0.00 -0.75 -5.03 118.94 120.89 3ngb s TRP 67 Ca -0.06 -2.11 0.00 0.00 -0.00 0.00 0.00 56.10 53.92 3ngb s TRP 67 Cb -0.06 -1.53 0.00 0.00 -0.00 0.00 0.00 33.47 31.88 3ngb s TRP 67 CO -0.11 -0.80 0.00 0.41 -0.00 0.00 0.00 176.95 176.45 3ngb n GLY 68 N 3.77 2.30 0.11 5.86 0.00 -1.26 -3.34 105.19 112.63 3ngb n GLY 68 Ca 0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 3ngb n GLY 68 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ngb h PRO 69 N 0.00 0.20 -6.71 1.61 0.11 -1.97 -3.47 132.00 121.78 3ngb h PRO 69 Ca 0.00 -0.26 -0.50 0.00 0.11 0.00 0.00 66.00 65.35 3ngb h PRO 69 Cb 0.00 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3ngb h PRO 69 CO 0.00 1.04 0.41 -0.51 -0.21 0.00 0.00 178.00 178.72 3ngb s ASP 70 N -6.96 7.46 0.19 -2.05 1.01 -1.21 -1.27 116.67 113.84 3ngb s ASP 70 Ca -0.03 2.02 0.09 0.00 0.71 0.00 0.00 52.55 55.34 3ngb s ASP 70 Cb 0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3ngb s ASP 70 CO 0.84 -0.03 -0.17 -0.31 0.21 0.00 0.00 175.17 175.71 3ngb s TYR 71 N -0.75 1.83 -0.03 4.23 1.51 -0.95 -1.82 117.35 121.37 3ngb s TYR 71 Ca 0.45 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 3ngb s TYR 71 Cb -0.28 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3ngb s TYR 71 CO 0.34 0.39 -0.01 -0.80 -1.11 0.00 0.00 175.55 174.35 3ngb s ASN 72 N -3.00 0.56 -0.14 2.29 -0.87 0.12 -2.08 114.94 111.82 3ngb s ASN 72 Ca 0.20 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 3ngb s ASN 72 Cb -0.04 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.25 40.90 3ngb s ASN 72 CO 0.08 -0.08 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.16 3ngb s LEU 73 N 0.93 2.55 -0.04 0.60 2.96 0.90 -1.03 118.68 125.56 3ngb s LEU 73 Ca -0.10 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3ngb s LEU 73 Cb -0.14 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.01 3ngb s LEU 73 CO -0.01 0.13 -0.01 0.28 -1.32 0.00 0.00 176.35 175.41 3ngb s THR 74 N 0.56 0.33 -0.26 3.68 -1.32 -0.09 -0.75 115.64 117.80 3ngb s THR 74 Ca -0.09 0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 60.29 3ngb s THR 74 Cb -0.16 -0.42 -0.05 0.00 -1.51 0.00 0.00 72.50 70.37 3ngb s THR 74 CO 0.04 0.19 0.26 -0.63 -2.21 0.00 0.00 174.62 172.27 3ngb s ILE 75 N 1.15 5.27 0.25 5.08 1.09 -0.88 -1.58 121.20 131.59 3ngb s ILE 75 Ca -0.08 0.35 0.09 0.00 -1.10 0.00 0.00 60.65 59.91 3ngb s ILE 75 Cb -0.14 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 37.63 3ngb s ILE 75 CO -0.02 0.25 1.57 0.28 -0.10 0.00 0.00 174.94 176.93 3ngb h SER 76 N 7.94 0.06 -1.56 3.58 0.02 -1.77 -2.62 113.55 119.20 3ngb h SER 76 Ca -0.35 -0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.31 3ngb h SER 76 Cb 1.17 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 63.44 3ngb h SER 76 CO 0.63 0.69 -0.60 0.21 -1.14 0.00 0.00 176.83 176.62 3ngb s ASN 77 N -6.85 0.04 0.45 3.07 2.47 -1.26 -4.42 114.94 108.44 3ngb s ASN 77 Ca -0.02 -1.37 -0.23 0.00 0.42 0.00 0.00 52.86 51.66 3ngb s ASN 77 Cb 0.12 1.11 -0.10 0.00 -1.45 0.00 0.00 41.25 40.94 3ngb s ASN 77 CO 0.78 -0.21 1.02 0.18 -3.72 0.00 0.00 177.10 175.15 3ngb n LEU 78 N 4.17 2.91 -4.42 3.21 4.32 -1.14 -4.80 117.00 121.25 3ngb n LEU 78 Ca 0.12 1.00 -0.22 0.00 -0.02 0.00 0.00 56.01 56.89 3ngb n LEU 78 Cb 0.50 -1.37 -0.08 0.00 -1.62 0.00 0.00 43.42 40.84 3ngb n LEU 78 CO 0.05 -1.47 -0.18 -1.61 -1.22 0.00 0.00 177.39 172.96 3ngb s GLU 79 N -2.15 1.80 0.66 3.23 2.02 -1.26 -3.14 118.70 119.85 3ngb s GLU 79 Ca 0.65 -2.07 0.37 0.00 0.02 0.00 0.00 54.97 53.95 3ngb s GLU 79 Cb -0.53 -0.29 2.06 0.00 0.10 0.00 0.00 34.13 35.47 3ngb s GLU 79 CO 0.55 -0.50 2.19 0.77 0.02 0.00 0.00 175.26 178.29 3ngb h SER 80 N 1.98 0.00 -0.22 -0.19 0.02 -1.99 -0.85 113.55 112.30 3ngb h SER 80 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3ngb h SER 80 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ngb h SER 80 CO 0.52 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 3ngb n GLY 81 N -1.18 1.94 0.03 -3.77 0.00 -1.26 -4.41 105.19 96.54 3ngb n GLY 81 Ca -0.02 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.80 3ngb n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ngb n ASP 82 N 0.40 0.86 -4.82 1.61 8.00 -0.32 -4.93 116.55 117.35 3ngb n ASP 82 Ca 0.09 -0.75 -0.34 0.00 0.71 0.00 0.00 54.79 54.50 3ngb n ASP 82 Cb 0.36 0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 3ngb n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ngb s PHE 83 N -2.96 3.45 -5.00 1.24 0.08 -1.24 -4.89 117.98 108.66 3ngb s PHE 83 Ca 0.10 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.65 3ngb s PHE 83 Cb 0.17 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 3ngb s PHE 83 CO 0.79 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 176.39 3ngb n GLY 84 N -0.14 -0.04 3.40 4.36 0.00 -0.86 -4.69 105.19 107.21 3ngb n GLY 84 Ca 0.04 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3ngb n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb s VAL 85 N -3.33 2.90 -0.06 1.61 0.11 -0.96 -0.26 120.40 120.42 3ngb s VAL 85 Ca 0.00 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3ngb s VAL 85 Cb 0.00 -2.16 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 3ngb s VAL 85 CO 0.00 0.56 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.88 3ngb s TYR 86 N -0.21 2.72 -0.05 1.54 1.51 0.10 -1.06 117.35 121.89 3ngb s TYR 86 Ca 0.00 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 3ngb s TYR 86 Cb -0.13 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.06 3ngb s TYR 86 CO 0.03 0.15 -0.19 0.71 -1.11 0.00 0.00 175.55 175.15 3ngb s TYR 87 N -0.63 1.87 0.03 2.71 2.02 -0.49 -0.69 117.35 122.18 3ngb s TYR 87 Ca 0.09 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 3ngb s TYR 87 Cb -0.11 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 3ngb s TYR 87 CO 0.01 -0.19 0.34 0.00 -1.57 0.00 0.00 175.55 174.14 3ngb s GLN 89 N -1.69 0.81 -0.23 0.00 0.74 0.18 -1.26 119.66 118.20 3ngb s GLN 89 Ca 0.29 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 3ngb s GLN 89 Cb -0.14 -0.78 0.12 0.00 1.10 0.00 0.00 33.01 33.30 3ngb s GLN 89 CO 0.16 0.18 0.30 -1.14 -0.55 0.00 0.00 175.29 174.24 3ngb s GLN 90 N -1.48 0.27 6.90 1.67 0.74 -0.40 -1.01 119.66 126.35 3ngb s GLN 90 Ca -0.02 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.69 3ngb s GLN 90 Cb -0.09 -0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.18 3ngb s GLN 90 CO 0.02 -0.70 0.00 0.66 -0.55 0.00 0.00 175.29 174.72 3ngb n TYR 91 N 5.34 0.00 1.12 1.67 4.02 -1.26 -1.92 117.16 126.12 3ngb n TYR 91 Ca -0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.97 3ngb n TYR 91 Cb 0.49 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.08 3ngb n TYR 91 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3ngb n GLU 96 N 14.00 0.48 -3.68 -0.72 0.00 -1.26 -4.91 120.64 124.56 3ngb n GLU 96 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 57.16 56.48 3ngb n GLU 96 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 29.89 3ngb n GLU 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3ngb s PHE 97 N -2.73 3.67 0.37 -1.84 0.40 -0.81 -5.10 117.98 111.94 3ngb s PHE 97 Ca 0.18 0.77 0.09 0.00 -0.60 0.00 0.00 56.93 57.37 3ngb s PHE 97 Cb 0.18 -2.12 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 3ngb s PHE 97 CO 0.62 0.68 -0.04 -0.06 0.70 0.00 0.00 175.22 177.12 3ngb s PHE 98 N -1.08 2.46 0.58 0.36 0.40 -1.26 -1.28 117.98 118.17 3ngb s PHE 98 Ca 0.20 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3ngb s PHE 98 Cb -0.14 -1.54 0.04 0.00 0.51 0.00 0.00 43.02 41.88 3ngb s PHE 98 CO 0.10 0.52 0.81 0.20 0.70 0.00 0.00 175.22 177.54 3ngb s GLY 99 N -3.66 1.81 0.45 4.36 0.00 -0.38 -4.81 107.32 105.08 3ngb s GLY 99 Ca 0.34 -1.26 0.18 0.00 0.00 0.00 0.00 44.72 43.97 3ngb s GLY 99 CO 0.18 -0.96 1.98 0.06 0.00 0.00 0.00 173.10 174.35 3ngb h GLN 100 N -0.04 0.00 0.00 2.90 -0.00 -1.90 -3.45 115.11 112.63 3ngb h GLN 100 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 3ngb h GLN 100 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 3ngb h GLN 100 CO 0.53 0.20 0.00 0.41 -0.00 0.00 0.00 178.83 179.98 3ngb n GLY 101 N -0.79 2.49 3.06 0.06 0.00 -1.26 -5.04 105.19 103.71 3ngb n GLY 101 Ca -0.02 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 3ngb n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ngb s THR 102 N -2.22 1.71 -0.48 2.61 2.01 0.14 -4.65 115.64 114.76 3ngb s THR 102 Ca 0.00 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 3ngb s THR 102 Cb 0.00 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.98 3ngb s THR 102 CO 0.00 0.48 0.59 -0.75 -0.69 0.00 0.00 174.62 174.25 3ngb s LYS 103 N 1.34 3.15 -0.17 4.92 2.20 -0.89 -0.72 119.74 129.57 3ngb s LYS 103 Ca 0.03 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.69 3ngb s LYS 103 Cb -0.13 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 3ngb s LYS 103 CO -0.10 -1.11 0.53 0.14 -0.36 0.00 0.00 175.35 174.46 3ngb s VAL 104 N 2.57 5.12 0.08 4.02 -7.23 0.64 -0.65 120.40 124.95 3ngb s VAL 104 Ca 0.16 1.02 0.01 0.00 -1.81 0.00 0.00 61.98 61.36 3ngb s VAL 104 Cb -0.18 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 3ngb s VAL 104 CO 0.14 0.22 -0.05 0.00 -0.31 0.00 0.00 175.10 175.09 3ngb s GLN 105 N 1.30 0.74 0.33 4.82 -2.07 -0.58 -2.04 119.66 122.17 3ngb s GLN 105 Ca 0.26 -1.28 -0.28 0.00 -1.82 0.00 0.00 55.36 52.24 3ngb s GLN 105 Cb -0.16 -0.04 -0.10 0.00 -1.09 0.00 0.00 33.01 31.63 3ngb s GLN 105 CO 0.10 -0.05 1.23 0.14 -1.32 0.00 0.00 175.29 175.39 3ngb s VAL 106 N -3.72 2.98 -0.44 3.63 -7.23 -1.26 -1.64 120.40 112.72 3ngb s VAL 106 Ca 0.10 0.95 0.03 0.00 -1.81 0.00 0.00 61.98 61.24 3ngb s VAL 106 Cb 0.06 -3.59 0.15 0.00 0.56 0.00 0.00 36.38 33.56 3ngb s VAL 106 CO -0.07 0.20 0.30 -0.62 -0.31 0.00 0.00 175.10 174.60 3ngb s ASP 107 N -0.71 2.83 -0.36 4.85 3.68 0.47 -4.74 116.67 122.69 3ngb s ASP 107 Ca 0.50 -2.81 -0.37 0.00 2.13 0.00 0.00 52.55 52.00 3ngb s ASP 107 Cb -0.36 -0.73 -0.13 0.00 -1.45 0.00 0.00 42.92 40.25 3ngb s ASP 107 CO 0.47 -0.22 2.15 -0.38 0.13 0.00 0.00 175.17 177.32 3ngb n ILE 108 N 3.24 0.17 -2.18 4.11 5.41 -1.26 -4.43 119.36 124.42 3ngb n ILE 108 Ca 0.18 -0.21 -0.38 0.00 1.00 0.00 0.00 62.75 63.34 3ngb n ILE 108 Cb 0.40 -1.47 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 3ngb n ILE 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3ngb s LYS 109 N 6.01 3.92 0.00 0.38 1.02 -1.26 -4.97 119.74 124.84 3ngb s LYS 109 Ca 1.10 1.95 0.00 0.00 0.02 0.00 0.00 55.97 59.04 3ngb s LYS 109 Cb -0.95 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 3ngb s LYS 109 CO 0.52 -0.47 0.00 2.89 -0.92 0.00 0.00 175.35 177.38 3ngb n ARG 110 N -0.07 0.00 -3.02 1.68 1.85 -1.26 -5.12 116.66 110.72 3ngb n ARG 110 Ca 0.05 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.55 3ngb n ARG 110 Cb 0.46 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.80 3ngb n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3ngb s THR 111 N -2.20 4.50 0.21 8.89 -4.23 -1.26 -5.00 115.64 116.54 3ngb s THR 111 Ca 0.00 1.34 -0.32 0.00 -1.18 0.00 0.00 61.69 61.53 3ngb s THR 111 Cb 0.00 -3.81 -0.13 0.00 1.34 0.00 0.00 72.50 69.90 3ngb s THR 111 CO 0.00 0.06 1.60 0.52 -0.54 0.00 0.00 174.62 176.26 3ngb n VAL 112 N 0.33 0.30 -4.68 2.29 0.31 -1.26 -4.82 118.33 110.80 3ngb n VAL 112 Ca 0.01 -0.08 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 3ngb n VAL 112 Cb 0.52 -1.74 -0.14 0.00 -0.91 0.00 0.00 33.84 31.57 3ngb n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ngb s ALA 113 N 0.70 1.83 -0.03 3.52 0.00 -0.54 -4.93 121.76 122.31 3ngb s ALA 113 Ca 0.74 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3ngb s ALA 113 Cb -0.59 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3ngb s ALA 113 CO 0.39 0.41 0.51 0.00 0.00 0.00 0.00 175.76 177.07 3ngb s ALA 114 N -0.81 3.55 -0.27 0.00 0.00 -1.26 -2.32 121.76 120.65 3ngb s ALA 114 Ca 0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 3ngb s ALA 114 Cb -0.09 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 3ngb s ALA 114 CO 0.02 0.22 1.48 -2.14 0.00 0.00 0.00 175.76 175.34 3ngb s PRO 115 N -0.26 3.81 -0.18 0.00 0.02 -1.26 -4.60 135.00 132.53 3ngb s PRO 115 Ca 0.27 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 3ngb s PRO 115 Cb -0.17 -3.98 -0.02 0.00 0.02 0.00 0.00 34.50 30.36 3ngb s PRO 115 CO 0.14 -1.26 1.37 -1.54 -0.33 0.00 0.00 177.00 175.37 3ngb s SER 116 N 3.69 6.79 -0.14 2.53 1.04 -1.02 -4.83 113.70 121.77 3ngb s SER 116 Ca 0.65 1.68 -0.11 0.00 0.48 0.00 0.00 55.95 58.65 3ngb s SER 116 Cb -0.21 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 3ngb s SER 116 CO 0.27 -0.90 0.22 -0.69 0.98 0.00 0.00 173.24 173.12 3ngb s VAL 117 N 3.92 5.36 0.14 5.02 1.01 -1.26 -1.50 120.40 133.09 3ngb s VAL 117 Ca 0.59 0.39 0.05 0.00 0.00 0.00 0.00 61.98 63.02 3ngb s VAL 117 Cb -0.23 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3ngb s VAL 117 CO 0.20 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.32 3ngb s PHE 118 N -0.24 1.35 -0.04 5.22 0.08 -0.50 -4.98 117.98 118.86 3ngb s PHE 118 Ca 0.15 -0.65 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 3ngb s PHE 118 Cb -0.13 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3ngb s PHE 118 CO 0.04 0.13 0.10 -1.50 -0.10 0.00 0.00 175.22 173.89 3ngb s ILE 119 N -2.79 -0.03 -0.17 0.64 2.07 -1.26 -0.72 121.20 118.95 3ngb s ILE 119 Ca 0.14 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 3ngb s ILE 119 Cb -0.01 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.44 3ngb s ILE 119 CO 0.02 0.05 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.55 3ngb s PHE 120 N 0.70 2.61 0.63 3.50 0.08 -0.27 -5.02 117.98 120.21 3ngb s PHE 120 Ca -0.05 -1.49 -0.16 0.00 0.12 0.00 0.00 56.93 55.34 3ngb s PHE 120 Cb -0.07 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3ngb s PHE 120 CO -0.03 -0.74 1.12 -2.14 -0.10 0.00 0.00 175.22 173.33 3ngb s PRO 121 N 1.25 2.93 0.56 0.24 0.02 -1.26 -2.43 135.00 136.32 3ngb s PRO 121 Ca 0.03 1.46 -0.21 0.00 0.02 0.00 0.00 61.00 62.30 3ngb s PRO 121 Cb -0.13 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 3ngb s PRO 121 CO -0.11 -1.16 1.28 -2.30 -0.33 0.00 0.00 177.00 174.39 3ngb n PRO 122 N -2.12 1.48 -2.70 5.54 -0.02 -1.23 -4.91 135.00 131.03 3ngb n PRO 122 Ca 0.11 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 3ngb n PRO 122 Cb 0.52 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3ngb n PRO 122 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ngb s SER 123 N -1.02 7.22 0.54 2.55 1.04 -1.26 -4.93 113.70 117.84 3ngb s SER 123 Ca 0.74 1.93 0.22 0.00 0.48 0.00 0.00 55.95 59.31 3ngb s SER 123 Cb -0.42 -2.59 1.41 0.00 0.10 0.00 0.00 66.02 64.53 3ngb s SER 123 CO 0.48 -0.15 2.11 0.44 0.98 0.00 0.00 173.24 177.09 3ngb h ASP 124 N 3.14 0.00 0.39 7.02 3.45 -2.00 0.32 116.42 128.74 3ngb h ASP 124 Ca -0.47 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 56.93 3ngb h ASP 124 Cb 1.20 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 3ngb h ASP 124 CO 0.65 0.00 -0.28 -0.08 -1.57 0.00 0.00 179.24 177.96 3ngb h GLU 125 N 0.00 0.00 0.14 3.56 4.81 -2.01 -2.81 114.58 118.27 3ngb h GLU 125 Ca 0.08 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.99 3ngb h GLU 125 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3ngb h GLU 125 CO -0.00 0.28 -1.62 0.37 -0.73 0.00 0.00 179.01 177.30 3ngb h GLN 126 N 0.00 0.30 -0.99 1.92 4.15 -1.28 -3.34 115.11 115.87 3ngb h GLN 126 Ca -0.00 -0.52 0.03 0.00 0.77 0.00 0.00 58.65 58.94 3ngb h GLN 126 Cb 0.55 0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.37 3ngb h GLN 126 CO 0.04 1.18 0.65 -0.07 -1.93 0.00 0.00 178.83 178.70 3ngb h LEU 127 N 0.08 1.09 -1.59 -2.39 3.38 -1.27 -0.90 115.31 113.71 3ngb h LEU 127 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3ngb h LEU 127 Cb 2.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3ngb h LEU 127 CO 0.17 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.56 3ngb h LYS 128 N 1.26 0.00 -2.16 1.13 1.57 -1.62 -3.26 116.57 113.50 3ngb h LYS 128 Ca 0.39 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.60 3ngb h LYS 128 Cb -0.01 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.89 3ngb h LYS 128 CO -0.12 0.00 -0.79 -1.13 -0.57 0.00 0.00 179.45 176.84 3ngb n SER 129 N -2.43 2.90 0.00 0.86 3.41 -0.34 -5.04 113.62 112.98 3ngb n SER 129 Ca -0.01 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 3ngb n SER 129 Cb 0.08 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3ngb n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ngb n GLY 130 N 0.51 1.62 2.96 5.00 0.00 -1.23 -4.96 105.19 109.09 3ngb n GLY 130 Ca 0.28 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 3ngb n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngb n THR 131 N 0.00 0.00 -3.75 2.61 -2.24 -1.26 -2.44 114.28 107.20 3ngb n THR 131 Ca 0.00 -1.69 -0.15 0.00 -2.27 0.00 0.00 64.05 59.93 3ngb n THR 131 Cb 0.00 -0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 3ngb n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ngb s ALA 132 N -2.61 0.01 -0.16 6.98 0.00 0.55 -3.87 121.76 122.66 3ngb s ALA 132 Ca 0.24 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 3ngb s ALA 132 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3ngb s ALA 132 CO 0.16 -0.18 -0.09 -1.12 0.00 0.00 0.00 175.76 174.52 3ngb s SER 133 N 1.27 4.21 -0.20 0.00 0.01 -1.26 -0.97 113.70 116.76 3ngb s SER 133 Ca -0.07 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 3ngb s SER 133 Cb -0.13 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 3ngb s SER 133 CO -0.04 0.12 -0.01 -0.69 0.41 0.00 0.00 173.24 173.03 3ngb s VAL 134 N 0.63 3.81 -0.08 3.43 1.01 0.57 -3.56 120.40 126.20 3ngb s VAL 134 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3ngb s VAL 134 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3ngb s VAL 134 CO 0.03 0.43 -0.00 -0.69 0.00 0.00 0.00 175.10 174.87 3ngb s VAL 135 N 1.04 4.27 -0.15 2.92 1.01 -1.02 0.21 120.40 128.69 3ngb s VAL 135 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3ngb s VAL 135 Cb -0.14 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3ngb s VAL 135 CO 0.01 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 3ngb s LEU 137 N 1.58 4.23 -0.54 0.00 2.96 0.11 -1.43 118.68 125.59 3ngb s LEU 137 Ca 0.03 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3ngb s LEU 137 Cb -0.14 -2.03 0.15 0.00 0.50 0.00 0.00 46.19 44.67 3ngb s LEU 137 CO -0.09 0.38 0.33 -0.76 -1.32 0.00 0.00 176.35 174.89 3ngb s LEU 138 N -0.83 3.68 0.11 -0.68 1.02 -0.34 -1.41 118.68 120.23 3ngb s LEU 138 Ca 0.14 -3.16 -0.24 0.00 0.02 0.00 0.00 54.13 50.89 3ngb s LEU 138 Cb -0.12 -1.33 -0.07 0.00 0.02 0.00 0.00 46.19 44.69 3ngb s LEU 138 CO 0.03 -0.19 0.72 0.21 0.02 0.00 0.00 176.35 177.14 3ngb s ASN 139 N -0.42 7.26 -0.08 2.29 2.47 -0.56 -1.87 114.94 124.03 3ngb s ASN 139 Ca 0.21 1.50 -0.01 0.00 0.42 0.00 0.00 52.86 54.97 3ngb s ASN 139 Cb -0.16 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 3ngb s ASN 139 CO -0.07 0.17 0.02 0.59 -3.72 0.00 0.00 177.10 174.09 3ngb n ASN 140 N 2.00 -6.53 -3.96 -4.21 4.13 -0.59 -2.42 115.26 103.68 3ngb n ASN 140 Ca -0.06 0.83 -0.09 0.00 1.68 0.00 0.00 54.58 56.94 3ngb n ASN 140 Cb 0.50 -2.70 -0.05 0.00 -1.54 0.00 0.00 39.78 35.98 3ngb n ASN 140 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3ngb s PHE 141 N -0.89 0.30 -0.27 3.10 -0.71 -0.75 -4.30 117.98 114.46 3ngb s PHE 141 Ca -0.03 -0.66 -0.25 0.00 -1.04 0.00 0.00 56.93 54.95 3ngb s PHE 141 Cb 0.00 0.17 0.09 0.00 -1.21 0.00 0.00 43.02 42.07 3ngb s PHE 141 CO 0.24 -0.93 0.81 -0.47 -1.34 0.00 0.00 175.22 173.53 3ngb s TYR 142 N -3.99 -0.71 0.01 3.49 5.04 -0.98 -0.61 117.35 119.60 3ngb s TYR 142 Ca 0.20 1.71 -0.00 0.00 -2.44 0.00 0.00 57.07 56.54 3ngb s TYR 142 Cb 0.00 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.62 3ngb s TYR 142 CO 0.06 -0.34 0.01 -2.30 -1.34 0.00 0.00 175.55 171.64 3ngb n PRO 143 N 2.62 -0.32 0.17 4.97 -0.02 -1.26 -1.47 135.00 139.69 3ngb n PRO 143 Ca -0.14 -0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.35 3ngb n PRO 143 Cb 0.55 -0.01 0.31 0.00 -0.02 0.00 0.00 33.50 34.33 3ngb n PRO 143 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ngb h ARG 144 N 0.00 0.00 -6.11 -0.52 2.43 -1.98 -3.43 114.38 104.77 3ngb h ARG 144 Ca -0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 3ngb h ARG 144 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3ngb h ARG 144 CO 0.00 0.44 1.40 -1.21 -1.51 0.00 0.00 179.97 179.10 3ngb s GLU 145 N -3.88 3.44 -0.25 0.20 8.01 -1.26 -4.94 118.70 120.02 3ngb s GLU 145 Ca -0.02 2.16 -0.14 0.00 0.01 0.00 0.00 54.97 56.98 3ngb s GLU 145 Cb 0.13 -4.30 0.08 0.00 -4.31 0.00 0.00 34.13 25.73 3ngb s GLU 145 CO 0.72 -1.75 0.61 0.00 0.01 0.00 0.00 175.26 174.85 3ngb s ALA 146 N 7.09 -1.65 -0.37 5.21 0.00 -1.26 -4.46 121.76 126.30 3ngb s ALA 146 Ca 0.95 2.18 -0.06 0.00 0.00 0.00 0.00 51.96 55.03 3ngb s ALA 146 Cb -0.35 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.54 3ngb s ALA 146 CO 0.37 -0.37 0.16 0.21 0.00 0.00 0.00 175.76 176.13 3ngb s LYS 147 N 1.61 2.46 0.22 0.00 2.20 -1.00 -5.00 119.74 120.23 3ngb s LYS 147 Ca -0.10 -1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 53.85 3ngb s LYS 147 Cb -0.06 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.63 3ngb s LYS 147 CO -0.18 -0.83 0.82 0.08 -0.36 0.00 0.00 175.35 174.88 3ngb s VAL 148 N 1.33 4.32 -0.17 4.02 1.01 -1.26 -2.79 120.40 126.87 3ngb s VAL 148 Ca 0.01 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 3ngb s VAL 148 Cb -0.21 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.14 3ngb s VAL 148 CO 0.01 0.40 0.14 -1.58 0.00 0.00 0.00 175.10 174.07 3ngb s GLN 149 N -1.46 0.10 0.19 2.72 0.74 -0.25 -4.98 119.66 116.72 3ngb s GLN 149 Ca 0.40 0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.62 3ngb s GLN 149 Cb -0.22 -1.41 -0.08 0.00 1.10 0.00 0.00 33.01 32.41 3ngb s GLN 149 CO 0.26 -0.62 1.03 -1.58 -0.55 0.00 0.00 175.29 173.82 3ngb s TRP 150 N 2.22 3.74 -0.05 1.67 0.52 -1.26 0.05 118.94 125.83 3ngb s TRP 150 Ca 0.04 1.74 0.02 0.00 0.02 0.00 0.00 56.10 57.92 3ngb s TRP 150 Cb -0.15 -3.15 0.02 0.00 -1.15 0.00 0.00 33.47 29.04 3ngb s TRP 150 CO -0.10 -0.13 -0.09 0.15 0.02 0.00 0.00 176.95 176.80 3ngb s LYS 151 N -0.58 1.32 -0.17 4.98 1.02 0.83 -2.68 119.74 124.45 3ngb s LYS 151 Ca 0.46 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.17 3ngb s LYS 151 Cb -0.27 -1.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.91 3ngb s LYS 151 CO 0.34 -0.01 -0.13 0.08 -0.92 0.00 0.00 175.35 174.70 3ngb s VAL 152 N 0.74 1.65 -1.44 3.17 1.01 -0.89 -1.32 120.40 123.31 3ngb s VAL 152 Ca -0.13 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 3ngb s VAL 152 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3ngb s VAL 152 CO 0.02 0.34 0.97 0.47 0.00 0.00 0.00 175.10 176.91 3ngb n ASP 153 N 4.72 -6.26 -3.66 3.32 8.00 -0.62 -1.90 116.55 120.15 3ngb n ASP 153 Ca -0.16 -0.45 -0.24 0.00 0.71 0.00 0.00 54.79 54.65 3ngb n ASP 153 Cb 0.48 -4.98 0.06 0.00 -0.02 0.00 0.00 41.12 36.67 3ngb n ASP 153 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ngb n ASN 154 N -2.83 -4.32 -3.83 -2.24 5.15 -1.26 -5.00 115.26 100.92 3ngb n ASN 154 Ca -0.03 -0.66 -0.26 0.00 -0.60 0.00 0.00 54.58 53.03 3ngb n ASN 154 Cb 0.58 -4.63 -0.17 0.00 -0.53 0.00 0.00 39.78 35.04 3ngb n ASN 154 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ngb s ALA 155 N -3.38 1.10 0.47 5.20 0.00 -0.80 -5.11 121.76 119.24 3ngb s ALA 155 Ca 0.40 -0.48 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 3ngb s ALA 155 Cb -0.19 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 3ngb s ALA 155 CO 0.77 -0.62 1.05 -0.11 0.00 0.00 0.00 175.76 176.85 3ngb n LEU 156 N 5.02 3.21 -3.89 0.00 -0.00 -1.26 -2.10 117.00 117.97 3ngb n LEU 156 Ca -0.10 0.99 -0.11 0.00 -0.00 0.00 0.00 56.01 56.79 3ngb n LEU 156 Cb 0.49 -1.40 -0.12 0.00 -0.00 0.00 0.00 43.42 42.39 3ngb n LEU 156 CO 0.14 -1.40 -0.29 -1.10 -0.00 0.00 0.00 177.39 174.75 3ngb s GLN 157 N -2.25 0.21 -0.07 1.96 -0.21 -1.09 -4.90 119.66 113.30 3ngb s GLN 157 Ca 0.66 -0.18 -0.16 0.00 0.02 0.00 0.00 55.36 55.70 3ngb s GLN 157 Cb -0.51 0.09 0.03 0.00 1.00 0.00 0.00 33.01 33.62 3ngb s GLN 157 CO 0.55 -0.04 0.38 -1.12 -2.12 0.00 0.00 175.29 172.94 3ngb s SER 158 N -0.61 -0.33 0.00 5.90 0.01 -1.26 -4.50 113.70 112.91 3ngb s SER 158 Ca -0.07 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.63 3ngb s SER 158 Cb -0.04 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.73 3ngb s SER 158 CO 0.00 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.92 3ngb n GLY 159 N 1.87 2.22 0.29 3.44 0.00 -1.26 -4.90 105.19 106.85 3ngb n GLY 159 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3ngb n GLY 159 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ngb n ASN 160 N 0.00 2.68 -3.92 1.61 0.23 -1.26 -4.97 115.26 109.63 3ngb n ASN 160 Ca 0.00 -2.79 -0.26 0.00 -0.53 0.00 0.00 54.58 51.00 3ngb n ASN 160 Cb 0.00 -0.36 -0.17 0.00 -2.08 0.00 0.00 39.78 37.17 3ngb n ASN 160 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ngb s SER 161 N -2.17 2.12 -0.27 0.53 1.04 -1.26 -2.08 113.70 111.61 3ngb s SER 161 Ca 0.28 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 3ngb s SER 161 Cb 0.23 -0.84 0.03 0.00 0.10 0.00 0.00 66.02 65.54 3ngb s SER 161 CO 0.05 -0.10 -0.03 -1.58 0.98 0.00 0.00 173.24 172.56 3ngb s GLN 162 N 1.56 2.72 0.67 4.02 0.74 -0.85 -4.93 119.66 123.59 3ngb s GLN 162 Ca 0.02 -1.06 -0.07 0.00 0.05 0.00 0.00 55.36 54.30 3ngb s GLN 162 Cb -0.13 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 30.95 3ngb s GLN 162 CO -0.07 -0.47 0.99 -1.21 -0.55 0.00 0.00 175.29 173.98 3ngb s GLU 163 N 1.31 2.51 -0.30 1.67 2.02 -1.26 -3.01 118.70 121.64 3ngb s GLU 163 Ca -0.02 -0.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.78 3ngb s GLU 163 Cb -0.18 -2.18 0.14 0.00 0.10 0.00 0.00 34.13 32.01 3ngb s GLU 163 CO -0.03 -1.04 0.72 0.45 0.02 0.00 0.00 175.26 175.38 3ngb s SER 164 N -4.43 -1.02 0.01 -0.19 0.15 -0.71 -4.97 113.70 102.53 3ngb s SER 164 Ca 0.58 1.41 0.01 0.00 0.70 0.00 0.00 55.95 58.65 3ngb s SER 164 Cb -0.11 2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 66.30 3ngb s SER 164 CO 0.46 -0.20 0.02 -0.69 1.20 0.00 0.00 173.24 174.03 3ngb s VAL 165 N 2.75 4.29 0.53 4.45 1.01 -1.26 -1.05 120.40 131.13 3ngb s VAL 165 Ca -0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3ngb s VAL 165 Cb -0.10 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3ngb s VAL 165 CO -0.19 0.34 0.86 0.42 0.00 0.00 0.00 175.10 176.53 3ngb s THR 166 N -1.14 4.61 0.51 3.92 -4.23 -0.42 -5.01 115.64 113.89 3ngb s THR 166 Ca 0.21 0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 60.79 3ngb s THR 166 Cb -0.12 -3.78 -0.06 0.00 1.34 0.00 0.00 72.50 69.88 3ngb s THR 166 CO 0.12 -0.83 1.22 -1.61 -0.54 0.00 0.00 174.62 172.98 3ngb s GLU 167 N -4.88 3.42 0.12 3.99 0.41 -1.26 -4.58 118.70 115.92 3ngb s GLU 167 Ca 0.50 1.89 -0.33 0.00 -0.41 0.00 0.00 54.97 56.62 3ngb s GLU 167 Cb -0.10 -2.25 -0.12 0.00 -1.78 0.00 0.00 34.13 29.88 3ngb s GLU 167 CO 0.47 -0.87 1.72 0.94 -0.49 0.00 0.00 175.26 177.03 3ngb n GLN 168 N -0.90 2.41 -1.72 1.61 7.27 -1.26 -4.85 117.38 119.94 3ngb n GLN 168 Ca 0.10 0.87 -0.43 0.00 0.07 0.00 0.00 57.00 57.61 3ngb n GLN 168 Cb 0.48 -2.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.40 3ngb n GLN 168 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3ngb n ASP 169 N 4.62 3.80 -1.46 1.69 4.64 -0.53 -4.86 116.55 124.46 3ngb n ASP 169 Ca 0.18 1.09 -0.07 0.00 -1.38 0.00 0.00 54.79 54.61 3ngb n ASP 169 Cb 0.32 -1.55 0.03 0.00 -1.04 0.00 0.00 41.12 38.88 3ngb n ASP 169 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3ngb n SER 170 N 3.40 4.39 0.06 1.67 3.41 -1.26 -1.60 113.62 123.68 3ngb n SER 170 Ca 0.14 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 3ngb n SER 170 Cb 0.34 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 3ngb n SER 170 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ngb n LYS 171 N 0.50 0.00 0.00 4.33 4.81 -1.26 -4.90 118.16 121.64 3ngb n LYS 171 Ca 0.14 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.69 3ngb n LYS 171 Cb 0.66 -0.04 0.05 0.00 0.02 0.00 0.00 35.03 35.72 3ngb n LYS 171 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3ngb n ASP 172 N -2.94 2.22 -2.93 3.14 5.68 -1.26 -4.98 116.55 115.48 3ngb n ASP 172 Ca 0.00 -1.61 -0.21 0.00 -0.50 0.00 0.00 54.79 52.47 3ngb n ASP 172 Cb 0.00 0.33 0.04 0.00 -1.14 0.00 0.00 41.12 40.35 3ngb n ASP 172 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ngb n SER 173 N 0.30 -5.93 -4.96 -1.12 7.64 -0.63 -4.99 113.62 103.93 3ngb n SER 173 Ca 0.11 -0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 3ngb n SER 173 Cb 0.49 -4.71 0.01 0.00 -1.01 0.00 0.00 64.21 59.00 3ngb n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ngb s THR 174 N -3.17 2.26 0.38 0.44 -4.23 -1.26 -4.72 115.64 105.34 3ngb s THR 174 Ca 0.33 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 3ngb s THR 174 Cb -0.14 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 3ngb s THR 174 CO 0.40 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.16 3ngb s TYR 175 N -2.60 2.39 -0.10 3.99 2.02 0.22 -1.45 117.35 121.81 3ngb s TYR 175 Ca 0.50 -0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3ngb s TYR 175 Cb -0.05 -1.59 0.04 0.00 -0.40 0.00 0.00 41.96 39.96 3ngb s TYR 175 CO 0.31 0.41 0.24 -1.12 -1.57 0.00 0.00 175.55 173.81 3ngb s SER 176 N -3.64 -0.25 -0.05 2.29 0.01 -1.26 -1.54 113.70 109.26 3ngb s SER 176 Ca 0.34 0.51 0.07 0.00 1.31 0.00 0.00 55.95 58.18 3ngb s SER 176 Cb 0.08 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 3ngb s SER 176 CO 0.17 -0.16 -0.25 -0.22 0.41 0.00 0.00 173.24 173.19 3ngb s LEU 177 N 1.17 2.07 -0.28 2.44 0.20 -0.78 -1.30 118.68 122.21 3ngb s LEU 177 Ca -0.09 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.27 3ngb s LEU 177 Cb -0.10 -1.37 0.07 0.00 -0.43 0.00 0.00 46.19 44.36 3ngb s LEU 177 CO -0.08 0.27 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.63 3ngb s SER 178 N -0.32 4.55 -0.36 3.68 0.15 -0.21 -1.19 113.70 120.00 3ngb s SER 178 Ca 0.01 -1.52 -0.11 0.00 0.70 0.00 0.00 55.95 55.02 3ngb s SER 178 Cb -0.12 -1.58 0.01 0.00 -1.71 0.00 0.00 66.02 62.61 3ngb s SER 178 CO 0.02 -0.23 0.21 -0.55 1.20 0.00 0.00 173.24 173.89 3ngb s SER 179 N 1.09 5.78 -0.26 5.45 0.15 -0.52 -1.74 113.70 123.66 3ngb s SER 179 Ca -0.05 -0.75 -0.07 0.00 0.70 0.00 0.00 55.95 55.77 3ngb s SER 179 Cb -0.20 -2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 3ngb s SER 179 CO -0.05 -0.32 0.07 -0.89 1.20 0.00 0.00 173.24 173.26 3ngb s THR 180 N 1.62 4.27 -0.37 6.45 2.01 -1.16 -0.81 115.64 127.64 3ngb s THR 180 Ca 0.04 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 3ngb s THR 180 Cb -0.18 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3ngb s THR 180 CO 0.08 0.30 0.34 -0.22 -0.69 0.00 0.00 174.62 174.43 3ngb s LEU 181 N 1.60 4.68 -0.26 4.42 2.96 0.13 -2.00 118.68 130.22 3ngb s LEU 181 Ca 0.06 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3ngb s LEU 181 Cb -0.15 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 3ngb s LEU 181 CO 0.03 -0.40 0.20 -0.89 -1.32 0.00 0.00 176.35 173.98 3ngb s THR 182 N 1.92 5.32 0.19 3.68 2.01 -0.89 -0.32 115.64 127.55 3ngb s THR 182 Ca 0.09 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.36 3ngb s THR 182 Cb -0.17 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3ngb s THR 182 CO 0.12 0.29 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.52 3ngb s LEU 183 N 1.45 2.36 0.33 4.42 1.43 -0.14 -4.91 118.68 123.61 3ngb s LEU 183 Ca 0.08 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 51.91 3ngb s LEU 183 Cb -0.15 -0.31 -0.09 0.00 0.03 0.00 0.00 46.19 45.67 3ngb s LEU 183 CO 0.08 -0.42 0.75 -0.94 0.23 0.00 0.00 176.35 176.06 3ngb s SER 184 N -3.23 6.81 0.15 2.29 1.04 -1.26 -0.33 113.70 119.17 3ngb s SER 184 Ca 0.22 1.33 -0.18 0.00 0.48 0.00 0.00 55.95 57.80 3ngb s SER 184 Cb 0.04 -2.39 0.06 0.00 0.10 0.00 0.00 66.02 63.82 3ngb s SER 184 CO 0.04 -0.20 1.69 0.50 0.98 0.00 0.00 173.24 176.26 3ngb h LYS 185 N 2.31 0.04 -0.58 4.02 3.64 -1.74 0.24 116.57 124.49 3ngb h LYS 185 Ca -0.48 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 3ngb h LYS 185 Cb 1.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 3ngb h LYS 185 CO 0.65 0.03 0.39 0.00 -2.27 0.00 0.00 179.45 178.25 3ngb h ALA 186 N 1.31 1.98 0.00 5.00 0.00 -1.94 0.01 119.26 125.61 3ngb h ALA 186 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ngb h ALA 186 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ngb h ALA 186 CO -0.30 -0.10 -0.68 0.22 0.00 0.00 0.00 179.25 178.38 3ngb h ASP 187 N 0.43 0.00 1.69 0.00 -0.00 -1.65 -3.29 116.42 113.59 3ngb h ASP 187 Ca 0.26 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.03 57.20 3ngb h ASP 187 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.80 3ngb h ASP 187 CO -0.07 0.02 -0.32 0.22 -0.00 0.00 0.00 179.24 179.09 3ngb h TYR 188 N 0.00 0.00 -0.13 0.28 3.20 0.13 -3.30 116.97 117.15 3ngb h TYR 188 Ca 0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 3ngb h TYR 188 Cb 0.94 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.22 3ngb h TYR 188 CO 0.00 0.26 -0.81 0.93 -1.64 0.00 0.00 178.16 176.90 3ngb h GLU 189 N 0.00 0.74 0.84 1.82 4.39 -1.32 -3.36 114.58 117.69 3ngb h GLU 189 Ca -0.01 -0.63 -0.04 0.00 0.34 0.00 0.00 59.36 59.02 3ngb h GLU 189 Cb 1.21 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 3ngb h GLU 189 CO 0.03 1.24 -0.40 0.87 -1.16 0.00 0.00 179.01 179.59 3ngb h LYS 190 N 0.49 -1.08 -7.33 2.33 1.79 -1.68 -3.44 116.57 107.65 3ngb h LYS 190 Ca -0.06 0.07 -0.51 0.00 -2.18 0.00 0.00 60.65 57.98 3ngb h LYS 190 Cb 1.44 0.25 0.13 0.00 -1.58 0.00 0.00 32.23 32.46 3ngb h LYS 190 CO 0.16 -0.72 0.32 -1.01 -1.08 0.00 0.00 179.45 177.12 3ngb s HIS 191 N -5.96 2.66 0.01 -1.35 3.76 -1.25 -5.03 115.29 108.14 3ngb s HIS 191 Ca -0.19 1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 56.12 3ngb s HIS 191 Cb 0.03 -3.04 -0.02 0.00 1.11 0.00 0.00 32.58 30.66 3ngb s HIS 191 CO 0.60 -1.79 -0.08 1.17 -0.85 0.00 0.00 174.74 173.79 3ngb n LYS 192 N -3.50 0.12 -3.55 1.40 4.81 -1.26 -4.91 118.16 111.27 3ngb n LYS 192 Ca 0.08 0.05 -0.37 0.00 -0.87 0.00 0.00 58.31 57.20 3ngb n LYS 192 Cb 0.54 -0.71 -0.08 0.00 0.02 0.00 0.00 35.03 34.79 3ngb n LYS 192 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ngb s VAL 193 N -2.19 5.30 -0.08 3.15 1.01 -1.26 -1.19 120.40 125.14 3ngb s VAL 193 Ca -0.07 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.41 3ngb s VAL 193 Cb 0.01 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 3ngb s VAL 193 CO 0.10 0.34 -0.22 -0.31 0.00 0.00 0.00 175.10 175.01 3ngb s TYR 194 N 0.87 2.55 -0.03 5.22 1.51 -0.98 -1.58 117.35 124.91 3ngb s TYR 194 Ca 0.14 -0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 55.24 3ngb s TYR 194 Cb -0.13 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 3ngb s TYR 194 CO 0.04 -0.26 0.38 0.00 -1.11 0.00 0.00 175.55 174.60 3ngb s ALA 195 N 0.04 -0.96 -0.24 3.71 0.00 -0.44 -1.38 121.76 122.50 3ngb s ALA 195 Ca -0.09 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3ngb s ALA 195 Cb -0.15 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.02 3ngb s ALA 195 CO 0.06 -0.27 -0.11 0.00 0.00 0.00 0.00 175.76 175.43 3ngb s GLU 197 N 1.22 4.13 -0.15 0.00 2.12 0.11 -3.62 118.70 122.50 3ngb s GLU 197 Ca -0.05 1.06 -0.05 0.00 0.36 0.00 0.00 54.97 56.28 3ngb s GLU 197 Cb -0.18 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 3ngb s GLU 197 CO -0.07 -0.71 0.02 0.08 -0.54 0.00 0.00 175.26 174.04 3ngb s VAL 198 N 3.25 4.42 -0.12 3.70 1.01 0.97 -1.09 120.40 132.54 3ngb s VAL 198 Ca 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3ngb s VAL 198 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3ngb s VAL 198 CO 0.10 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 176.01 3ngb s THR 199 N 0.10 1.32 0.06 3.92 -4.23 -1.12 -0.78 115.64 114.92 3ngb s THR 199 Ca 0.03 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3ngb s THR 199 Cb -0.13 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 3ngb s THR 199 CO 0.02 0.41 -0.04 -2.28 -0.54 0.00 0.00 174.62 172.19 3ngb s HIS 200 N 1.35 0.60 0.52 3.99 2.46 -1.26 -2.37 115.29 120.58 3ngb s HIS 200 Ca 0.00 -0.95 0.24 0.00 0.47 0.00 0.00 55.06 54.82 3ngb s HIS 200 Cb -0.14 -0.40 1.51 0.00 -0.13 0.00 0.00 32.58 33.42 3ngb s HIS 200 CO -0.06 -0.29 2.16 0.37 -2.47 0.00 0.00 174.74 174.45 3ngb h GLN 201 N 3.32 0.00 -0.44 2.88 4.15 -1.91 -1.14 115.11 121.96 3ngb h GLN 201 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3ngb h GLN 201 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3ngb h GLN 201 CO 0.62 0.05 0.00 0.41 -1.93 0.00 0.00 178.83 177.98 3ngb n GLY 202 N -1.23 1.19 3.29 2.39 0.00 -1.26 -4.82 105.19 104.75 3ngb n GLY 202 Ca -0.03 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3ngb n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ngb s LEU 203 N -1.10 2.70 0.51 0.99 1.43 -0.43 -4.65 118.68 118.12 3ngb s LEU 203 Ca 0.33 -0.43 0.33 0.00 -1.03 0.00 0.00 54.13 53.33 3ngb s LEU 203 Cb 0.17 -1.65 1.43 0.00 0.03 0.00 0.00 46.19 46.17 3ngb s LEU 203 CO 0.23 0.03 1.98 0.08 0.23 0.00 0.00 176.35 178.90 3ngb h ARG 204 N 7.71 0.00 -2.31 1.70 -0.00 -1.88 -3.43 114.38 116.17 3ngb h ARG 204 Ca -0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.52 3ngb h ARG 204 Cb 1.17 0.00 -0.20 0.00 -0.00 0.00 0.00 29.97 30.94 3ngb h ARG 204 CO 0.60 0.00 0.02 -1.54 -0.00 0.00 0.00 179.97 179.05 3ngb s SER 205 N -5.32 -0.55 -0.28 0.08 1.04 -1.26 -5.12 113.70 102.29 3ngb s SER 205 Ca 0.01 0.77 -0.36 0.00 0.48 0.00 0.00 55.95 56.85 3ngb s SER 205 Cb 0.09 0.75 -0.12 0.00 0.10 0.00 0.00 66.02 66.84 3ngb s SER 205 CO 0.49 -0.43 2.05 -2.65 0.98 0.00 0.00 173.24 173.68 3ngb n PRO 206 N 1.66 1.33 -2.68 4.02 -0.02 -1.26 -4.93 135.00 133.12 3ngb n PRO 206 Ca -0.18 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3ngb n PRO 206 Cb 0.56 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3ngb n PRO 206 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ngb s VAL 207 N 6.03 4.13 -0.23 -1.45 1.01 0.04 -4.83 120.40 125.11 3ngb s VAL 207 Ca 1.04 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 64.96 3ngb s VAL 207 Cb -0.85 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 31.35 3ngb s VAL 207 CO 0.52 0.39 0.01 -0.89 0.00 0.00 0.00 175.10 175.13 3ngb s THR 208 N -0.62 0.99 -0.17 3.92 2.01 -1.26 -0.02 115.64 120.49 3ngb s THR 208 Ca 0.45 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 3ngb s THR 208 Cb -0.26 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3ngb s THR 208 CO 0.33 -0.25 0.13 -0.54 -0.69 0.00 0.00 174.62 173.59 3ngb s LYS 209 N 1.63 3.92 0.26 4.92 -0.14 -1.24 -4.98 119.74 124.10 3ngb s LYS 209 Ca -0.01 -0.20 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 3ngb s LYS 209 Cb -0.18 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 3ngb s LYS 209 CO -0.10 0.46 0.18 -1.54 -0.76 0.00 0.00 175.35 173.59 3ngb s SER 210 N -0.10 0.85 -0.20 2.83 1.04 -1.26 -2.03 113.70 114.83 3ngb s SER 210 Ca 0.10 -1.53 -0.25 0.00 0.48 0.00 0.00 55.95 54.75 3ngb s SER 210 Cb -0.11 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.51 3ngb s SER 210 CO 0.00 -0.92 0.67 0.72 0.98 0.00 0.00 173.24 174.69 3ngb s PHE 211 N -3.85 -0.71 -0.24 5.02 -0.12 -0.48 -5.00 117.98 112.61 3ngb s PHE 211 Ca 0.39 1.63 -0.18 0.00 -0.05 0.00 0.00 56.93 58.72 3ngb s PHE 211 Cb 0.05 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 3ngb s PHE 211 CO 0.18 -0.41 0.49 -0.80 -0.05 0.00 0.00 175.22 174.63 3ngb s ASN 212 N -0.01 6.45 0.31 1.98 -0.87 -1.26 -2.31 114.94 119.22 3ngb s ASN 212 Ca -0.03 0.54 -0.27 0.00 -1.57 0.00 0.00 52.86 51.53 3ngb s ASN 212 Cb -0.04 -2.27 -0.14 0.00 -0.02 0.00 0.00 41.25 38.78 3ngb s ASN 212 CO 0.03 -0.24 0.86 -1.14 -2.57 0.00 0.00 177.10 174.05 3ngb n ARG 213 N 5.27 1.03 0.00 -0.60 0.63 -0.33 -3.48 116.66 119.19 3ngb n ARG 213 Ca -0.05 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 3ngb n ARG 213 Cb 0.50 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.72 3ngb n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ngb n GLY 214 N 1.42 2.19 3.71 5.14 0.00 -1.26 -4.95 105.19 111.44 3ngb n GLY 214 Ca 0.11 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3ngb n GLY 214 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ngb s GLU 215 N 0.00 4.26 0.00 1.61 2.12 -1.23 -5.26 118.70 120.21 3ngb s GLU 215 Ca 0.00 2.20 0.00 0.00 0.36 0.00 0.00 54.97 57.53 3ngb s GLU 215 Cb 0.00 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3ngb s GLU 215 CO 0.00 -0.54 0.30 0.00 -0.54 0.00 0.00 175.26 174.48