#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 3.86 -0.37 1.34 1.43 -1.26 -3.23 118.68 120.45 3ngb s LEU 4 Ca 0.00 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3ngb s LEU 4 Cb 0.00 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.30 3ngb s LEU 4 CO 0.00 0.10 0.14 -0.89 0.23 0.00 0.00 176.35 175.93 3ngb s THR 5 N 0.82 3.16 0.04 5.49 2.01 0.38 -4.81 115.64 122.72 3ngb s THR 5 Ca 0.05 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.15 3ngb s THR 5 Cb -0.13 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3ngb s THR 5 CO 0.02 -0.51 0.26 -1.58 -0.69 0.00 0.00 174.62 172.13 3ngb s GLN 6 N 1.17 3.53 -0.09 4.92 0.74 -1.26 -0.81 119.66 127.85 3ngb s GLN 6 Ca 0.04 -0.19 -0.31 0.00 0.05 0.00 0.00 55.36 54.96 3ngb s GLN 6 Cb -0.22 -3.03 0.09 0.00 1.10 0.00 0.00 33.01 30.95 3ngb s GLN 6 CO -0.03 0.61 0.81 -1.54 -0.55 0.00 0.00 175.29 174.59 3ngb s SER 7 N -2.02 -0.54 1.04 6.67 1.04 -0.66 -4.73 113.70 114.49 3ngb s SER 7 Ca 0.31 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 57.24 3ngb s SER 7 Cb -0.13 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.54 3ngb s SER 7 CO 0.20 -0.51 0.50 -2.65 0.98 0.00 0.00 173.24 171.77 3ngb n PRO 8 N 0.81 -1.04 0.01 4.02 -0.02 -1.26 -1.30 135.00 136.22 3ngb n PRO 8 Ca -0.15 -0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 60.43 3ngb n PRO 8 Cb 0.58 -0.60 -0.14 0.00 -0.02 0.00 0.00 33.50 33.32 3ngb n PRO 8 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ngb h GLY 9 N -0.97 0.09 -6.17 -1.23 0.00 -1.85 -3.41 103.07 89.53 3ngb h GLY 9 Ca -0.17 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 46.67 3ngb h GLY 9 CO 0.12 0.20 -0.67 -1.59 0.00 0.00 0.00 176.54 174.61 3ngb s THR 10 N -2.62 -0.04 -0.21 4.70 2.01 -1.26 -2.52 115.64 115.70 3ngb s THR 10 Ca -0.07 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3ngb s THR 10 Cb 0.08 -0.14 0.05 0.00 0.01 0.00 0.00 72.50 72.51 3ngb s THR 10 CO 0.82 0.06 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.53 3ngb s LEU 11 N 0.85 2.30 -0.30 4.42 2.96 0.35 -4.94 118.68 124.31 3ngb s LEU 11 Ca -0.07 -1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 52.70 3ngb s LEU 11 Cb -0.09 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3ngb s LEU 11 CO -0.03 -0.21 0.27 -0.44 -1.32 0.00 0.00 176.35 174.63 3ngb s SER 12 N 1.45 6.11 0.15 3.68 0.01 -1.26 -2.62 113.70 121.22 3ngb s SER 12 Ca -0.04 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 3ngb s SER 12 Cb -0.18 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3ngb s SER 12 CO -0.07 -0.17 0.11 -0.76 0.41 0.00 0.00 173.24 172.75 3ngb s LEU 13 N 1.87 1.54 0.09 2.44 1.43 -1.03 -4.90 118.68 120.12 3ngb s LEU 13 Ca 0.10 -1.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3ngb s LEU 13 Cb -0.16 0.46 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 3ngb s LEU 13 CO 0.11 -0.78 0.11 -0.44 0.23 0.00 0.00 176.35 175.58 3ngb s SER 14 N -3.05 5.66 -0.84 2.29 0.01 -1.26 -1.36 113.70 115.15 3ngb s SER 14 Ca 0.25 0.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.29 3ngb s SER 14 Cb 0.07 -1.55 -0.18 0.00 0.21 0.00 0.00 66.02 64.57 3ngb s SER 14 CO 0.03 0.15 2.30 -2.65 0.41 0.00 0.00 173.24 173.49 3ngb n PRO 15 N 0.29 0.41 0.00 12.44 -0.02 -1.26 -1.75 135.00 145.10 3ngb n PRO 15 Ca -0.08 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.53 3ngb n PRO 15 Cb 0.52 -3.37 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 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 6.50 1.63 0.00 -1.23 0.00 -1.21 -4.93 105.19 105.95 3ngb n GLY 16 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.41 -4.83 1.61 1.02 -0.72 -4.46 120.64 112.84 3ngb n GLU 17 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3ngb n GLU 17 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.67 1.67 -0.22 2.62 -4.23 -1.26 -3.31 115.64 110.25 3ngb s THR 18 Ca 0.00 -0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 3ngb s THR 18 Cb 0.00 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 3ngb s THR 18 CO 0.00 0.47 0.48 0.00 -0.54 0.00 0.00 174.62 175.04 3ngb s ALA 19 N 0.60 3.56 -0.30 3.99 0.00 -1.17 -4.93 121.76 123.52 3ngb s ALA 19 Ca -0.14 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3ngb s ALA 19 Cb -0.17 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.25 3ngb s ALA 19 CO 0.04 -0.50 -0.03 0.42 0.00 0.00 0.00 175.76 175.70 3ngb s ILE 20 N 1.75 2.39 -0.10 0.00 1.01 -1.26 -1.88 121.20 123.12 3ngb s ILE 20 Ca 0.22 -1.83 0.04 0.00 0.00 0.00 0.00 60.65 59.07 3ngb s ILE 20 Cb -0.15 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3ngb s ILE 20 CO 0.09 -0.25 -0.22 -0.51 0.00 0.00 0.00 174.94 174.05 3ngb s ILE 21 N 1.07 1.92 0.30 2.92 2.07 -0.59 -4.75 121.20 124.13 3ngb s ILE 21 Ca -0.02 -0.93 0.10 0.00 -1.41 0.00 0.00 60.65 58.39 3ngb s ILE 21 Cb -0.20 -1.67 -0.05 0.00 0.13 0.00 0.00 42.46 40.68 3ngb s ILE 21 CO -0.05 0.53 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.54 3ngb s SER 22 N 0.42 4.22 -0.20 4.50 1.04 -0.42 -0.65 113.70 122.61 3ngb s SER 22 Ca -0.18 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 3ngb s SER 22 Cb -0.18 -0.61 0.09 0.00 0.10 0.00 0.00 66.02 65.42 3ngb s SER 22 CO 0.08 -0.10 0.21 0.00 0.98 0.00 0.00 173.24 174.41 3ngb s ARG 24 N 2.31 4.03 0.05 0.00 3.52 0.00 -1.88 118.95 126.99 3ngb s ARG 24 Ca 0.06 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.86 3ngb s ARG 24 Cb -0.16 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3ngb s ARG 24 CO -0.12 0.45 -0.12 -0.08 -0.81 0.00 0.00 175.30 174.62 3ngb s THR 25 N -0.19 0.91 0.00 4.11 -1.32 -0.11 -0.47 115.64 118.57 3ngb s THR 25 Ca 0.19 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 3ngb s THR 25 Cb -0.14 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3ngb s THR 25 CO 0.07 -0.20 0.25 -1.54 -2.21 0.00 0.00 174.62 170.99 3ngb n SER 26 N 1.55 0.00 -4.81 8.08 3.41 -1.20 -4.61 113.62 116.05 3ngb n SER 26 Ca -0.21 0.25 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 3ngb n SER 26 Cb 0.55 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.62 3ngb n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3ngb s GLN 27 N -0.50 1.38 -0.03 4.33 0.74 -1.26 -4.94 119.66 119.38 3ngb s GLN 27 Ca 0.00 0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.75 3ngb s GLN 27 Cb 0.00 -1.87 -0.00 0.00 1.10 0.00 0.00 33.01 32.24 3ngb s GLN 27 CO 0.00 -2.04 -0.12 1.52 -0.55 0.00 0.00 175.29 174.10 3ngb s TYR 28 N -3.31 1.23 0.00 1.67 1.13 -1.26 -5.09 117.35 111.73 3ngb s TYR 28 Ca 0.63 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.97 3ngb s TYR 28 Cb -0.14 -0.85 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 3ngb s TYR 28 CO 0.53 -0.11 0.00 0.41 -2.51 0.00 0.00 175.55 173.87 3ngb n GLY 29 N 3.18 5.50 3.08 5.49 0.00 -1.26 -5.05 105.19 116.13 3ngb n GLY 29 Ca -0.18 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3ngb n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ngb n SER 30 N 0.00 4.56 -4.77 1.61 7.64 -1.26 -4.89 113.62 116.50 3ngb n SER 30 Ca 0.00 -2.93 -0.41 0.00 1.01 0.00 0.00 58.87 56.54 3ngb n SER 30 Cb 0.00 -1.64 -0.00 0.00 -1.01 0.00 0.00 64.21 61.55 3ngb n SER 30 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ngb s LEU 33 N 2.27 4.32 0.17 -3.43 0.20 -1.26 -4.11 118.68 116.85 3ngb s LEU 33 Ca 0.47 3.03 0.03 0.00 0.69 0.00 0.00 54.13 58.35 3ngb s LEU 33 Cb 0.08 -3.66 -0.05 0.00 -0.43 0.00 0.00 46.19 42.13 3ngb s LEU 33 CO -0.01 -0.88 -0.02 0.00 -0.29 0.00 0.00 176.35 175.15 3ngb s ALA 34 N -0.95 1.42 0.06 5.97 0.00 -0.28 -1.45 121.76 126.53 3ngb s ALA 34 Ca 0.54 -1.59 0.09 0.00 0.00 0.00 0.00 51.96 51.00 3ngb s ALA 34 Cb -0.47 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3ngb s ALA 34 CO 0.61 -0.26 -0.25 -1.58 0.00 0.00 0.00 175.76 174.28 3ngb s TRP 35 N -3.55 2.16 0.04 0.00 0.52 0.16 -0.85 118.94 117.42 3ngb s TRP 35 Ca 0.22 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 56.00 3ngb s TRP 35 Cb 0.05 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 3ngb s TRP 35 CO 0.04 0.14 -0.15 0.71 0.02 0.00 0.00 176.95 177.71 3ngb s TYR 36 N -0.85 1.30 -0.19 -1.98 1.51 -0.11 -1.26 117.35 115.77 3ngb s TYR 36 Ca 0.11 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3ngb s TYR 36 Cb -0.10 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.99 3ngb s TYR 36 CO 0.03 0.05 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.27 3ngb s GLN 37 N -1.23 3.26 -0.35 -0.62 0.74 0.13 -1.92 119.66 119.68 3ngb s GLN 37 Ca 0.02 -0.70 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 3ngb s GLN 37 Cb -0.08 -2.81 0.09 0.00 1.10 0.00 0.00 33.01 31.31 3ngb s GLN 37 CO 0.01 -0.13 0.08 -1.14 -0.55 0.00 0.00 175.29 173.56 3ngb s GLN 38 N 1.23 1.97 0.34 1.67 0.74 -0.01 -0.92 119.66 124.68 3ngb s GLN 38 Ca 0.03 -1.66 -0.19 0.00 0.05 0.00 0.00 55.36 53.58 3ngb s GLN 38 Cb -0.14 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 3ngb s GLN 38 CO -0.05 -0.88 0.82 1.03 -0.55 0.00 0.00 175.29 175.66 3ngb s ARG 39 N 1.09 4.18 -0.46 1.67 0.52 -1.26 -1.95 118.95 122.74 3ngb s ARG 39 Ca 0.04 0.91 -0.44 0.00 -0.52 0.00 0.00 55.73 55.72 3ngb s ARG 39 Cb -0.21 -2.47 -0.18 0.00 0.52 0.00 0.00 34.95 32.61 3ngb s ARG 39 CO -0.05 0.16 1.91 -2.30 0.02 0.00 0.00 175.30 175.04 3ngb n PRO 40 N -0.16 0.26 0.00 3.54 -0.02 -1.26 -1.10 135.00 136.26 3ngb n PRO 40 Ca 0.03 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ngb n PRO 40 Cb 0.53 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 5.80 2.88 3.94 -1.23 0.00 -1.26 -5.00 105.19 110.33 3ngb n GLY 41 Ca 0.42 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.12 2.40 0.45 1.61 -0.21 -0.26 -5.06 119.66 118.46 3ngb s GLN 42 Ca 0.00 -0.40 -0.22 0.00 0.02 0.00 0.00 55.36 54.77 3ngb s GLN 42 Cb 0.00 -2.29 -0.09 0.00 1.00 0.00 0.00 33.01 31.64 3ngb s GLN 42 CO 0.00 -1.00 1.04 0.00 -2.12 0.00 0.00 175.29 173.21 3ngb s ALA 43 N -3.06 2.97 0.69 6.09 0.00 -1.26 -4.55 121.76 122.64 3ngb s ALA 43 Ca 0.58 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 3ngb s ALA 43 Cb -0.11 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3ngb s ALA 43 CO 0.43 -0.24 1.08 -2.30 0.00 0.00 0.00 175.76 174.73 3ngb n PRO 44 N -0.59 0.72 -4.40 0.00 -0.02 -1.26 -4.63 135.00 124.82 3ngb n PRO 44 Ca 0.07 0.30 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 3ngb n PRO 44 Cb 0.51 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.31 1.10 -0.19 -0.52 3.52 -0.10 -4.92 118.95 114.52 3ngb s ARG 45 Ca 0.77 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.78 3ngb s ARG 45 Cb -0.36 -1.00 -0.02 0.00 -1.56 0.00 0.00 34.95 32.00 3ngb s ARG 45 CO 0.47 0.06 1.47 -1.17 -0.81 0.00 0.00 175.30 175.32 3ngb s LEU 46 N 0.43 4.05 -0.19 -0.88 2.96 -1.26 -0.69 118.68 123.09 3ngb s LEU 46 Ca -0.07 1.68 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 3ngb s LEU 46 Cb -0.11 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 3ngb s LEU 46 CO 0.01 -1.03 -0.34 0.52 -1.32 0.00 0.00 176.35 174.19 3ngb n VAL 47 N 5.93 1.48 -4.46 1.68 0.31 -0.39 -4.72 118.33 118.17 3ngb n VAL 47 Ca 0.16 0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.31 3ngb n VAL 47 Cb 0.45 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.79 1.32 0.16 2.52 -1.09 -1.18 -0.77 121.20 119.37 3ngb s ILE 48 Ca -0.30 -1.08 -0.05 0.00 -2.23 0.00 0.00 60.65 56.99 3ngb s ILE 48 Cb 0.06 -1.17 -0.02 0.00 -1.58 0.00 0.00 42.46 39.74 3ngb s ILE 48 CO 0.43 0.08 0.19 -0.72 -1.23 0.00 0.00 174.94 173.68 3ngb s TYR 49 N -0.83 0.64 0.00 3.97 1.13 -0.30 0.35 117.35 122.31 3ngb s TYR 49 Ca 0.04 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 3ngb s TYR 49 Cb -0.08 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 3ngb s TYR 49 CO 0.01 -0.64 0.00 0.45 -2.51 0.00 0.00 175.55 172.86 3ngb n SER 50 N -0.18 -0.70 0.00 -0.18 2.88 -0.96 -1.65 113.62 112.84 3ngb n SER 50 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3ngb n SER 50 Cb 0.63 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 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 -1.78 3.42 0.00 0.46 0.00 -0.53 -4.68 105.19 102.08 3ngb n GLY 51 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.16 0.00 -4.68 1.61 3.41 -1.21 -4.15 113.62 108.76 3ngb n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3ngb n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.00 4.82 0.14 6.66 2.01 -0.66 -4.38 115.64 124.23 3ngb s THR 53 Ca 0.00 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 3ngb s THR 53 Cb 0.00 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 3ngb s THR 53 CO 0.00 0.00 1.11 -0.60 -0.69 0.00 0.00 174.62 174.44 3ngb s ARG 54 N 2.15 4.56 0.79 4.92 3.52 -1.26 -1.15 118.95 132.48 3ngb s ARG 54 Ca 0.44 1.71 -0.11 0.00 -0.13 0.00 0.00 55.73 57.63 3ngb s ARG 54 Cb -0.17 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 29.98 3ngb s ARG 54 CO 0.15 -0.00 1.09 0.00 -0.81 0.00 0.00 175.30 175.73 3ngb s ALA 55 N 0.11 2.30 0.10 6.12 0.00 0.05 -4.92 121.76 125.52 3ngb s ALA 55 Ca 0.51 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 3ngb s ALA 55 Cb -0.29 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 3ngb s ALA 55 CO 0.33 -1.67 1.55 0.00 0.00 0.00 0.00 175.76 175.97 3ngb s ALA 56 N -3.14 3.69 0.00 0.00 0.00 -1.26 -2.47 121.76 118.57 3ngb s ALA 56 Ca 0.60 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.77 3ngb s ALA 56 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3ngb s ALA 56 CO 0.54 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3ngb n GLY 57 N 3.79 0.75 3.73 0.00 0.00 -1.26 -5.05 105.19 107.16 3ngb n GLY 57 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 5.28 0.49 -0.61 -1.09 -1.03 -5.06 121.20 116.61 3ngb s ILE 58 Ca 0.00 0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 3ngb s ILE 58 Cb 0.00 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 3ngb s ILE 58 CO 0.00 0.39 1.28 -2.65 -1.23 0.00 0.00 174.94 172.72 3ngb n PRO 59 N 3.52 1.75 0.00 2.79 -0.02 -1.26 -4.86 135.00 136.92 3ngb n PRO 59 Ca -0.11 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 3ngb n PRO 59 Cb 0.52 -2.44 0.25 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 -0.34 0.00 -0.15 2.55 5.75 -1.26 -2.08 116.55 121.02 3ngb n ASP 60 Ca 0.09 0.19 -0.03 0.00 -0.01 0.00 0.00 54.79 55.03 3ngb n ASP 60 Cb 0.42 -0.32 0.19 0.00 -1.03 0.00 0.00 41.12 40.38 3ngb n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3ngb h ARG 61 N 0.00 0.88 -6.94 0.11 3.08 -1.95 -3.42 114.38 106.13 3ngb h ARG 61 Ca 0.00 -0.16 -0.50 0.00 0.07 0.00 0.00 59.98 59.39 3ngb h ARG 61 Cb 0.11 -0.14 0.04 0.00 0.08 0.00 0.00 29.97 30.05 3ngb h ARG 61 CO 0.00 0.75 0.46 -0.06 -1.07 0.00 0.00 179.97 180.05 3ngb s PHE 62 N -5.32 3.18 -0.19 3.04 0.40 -0.88 -2.42 117.98 115.80 3ngb s PHE 62 Ca -0.10 1.60 -0.29 0.00 -0.60 0.00 0.00 56.93 57.55 3ngb s PHE 62 Cb 0.16 -3.27 0.12 0.00 0.51 0.00 0.00 43.02 40.54 3ngb s PHE 62 CO 0.80 -0.97 1.00 -1.54 0.70 0.00 0.00 175.22 175.20 3ngb s SER 63 N -1.30 -0.40 0.16 1.36 1.04 -0.96 -4.98 113.70 108.61 3ngb s SER 63 Ca 0.57 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.65 3ngb s SER 63 Cb -0.27 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3ngb s SER 63 CO 0.34 -0.29 -0.21 -0.83 0.98 0.00 0.00 173.24 173.23 3ngb s GLY 64 N -0.69 1.44 0.19 7.32 0.00 -1.26 -1.53 107.32 112.79 3ngb s GLY 64 Ca -0.01 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.29 3ngb s GLY 64 CO -0.01 -1.50 -0.06 -1.35 0.00 0.00 0.00 173.10 170.19 3ngb s SER 65 N -2.47 1.82 -0.04 1.64 1.04 -0.49 -4.52 113.70 110.67 3ngb s SER 65 Ca 0.15 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 3ngb s SER 65 Cb -0.07 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3ngb s SER 65 CO 0.07 -0.41 0.03 -0.60 0.98 0.00 0.00 173.24 173.30 3ngb s ARG 66 N -3.80 0.20 -0.39 4.02 3.52 -1.26 -2.00 118.95 119.25 3ngb s ARG 66 Ca 0.22 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.06 3ngb s ARG 66 Cb 0.04 -0.60 0.16 0.00 -1.56 0.00 0.00 34.95 32.99 3ngb s ARG 66 CO 0.05 -0.25 0.33 -0.46 -0.81 0.00 0.00 175.30 174.15 3ngb s TRP 67 N 1.70 0.42 0.00 5.12 -0.00 -1.11 -5.07 118.94 120.00 3ngb s TRP 67 Ca -0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 56.10 54.52 3ngb s TRP 67 Cb -0.13 -0.70 0.00 0.00 -0.00 0.00 0.00 33.47 32.64 3ngb s TRP 67 CO -0.03 -0.89 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 3ngb n GLY 68 N 3.64 0.93 0.14 5.86 0.00 -1.26 -3.55 105.19 110.94 3ngb n GLY 68 Ca 0.18 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -4.99 1.61 0.11 -1.92 -3.46 132.00 123.35 3ngb h PRO 69 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 3ngb h PRO 69 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 3ngb h PRO 69 CO 0.00 0.00 -0.47 -0.51 -0.21 0.00 0.00 178.00 176.81 3ngb s ASP 70 N -5.25 6.08 0.14 -2.05 -0.00 -1.23 -0.94 116.67 113.42 3ngb s ASP 70 Ca 0.06 0.07 0.03 0.00 -0.00 0.00 0.00 52.55 52.71 3ngb s ASP 70 Cb 0.09 -2.13 -0.04 0.00 -0.00 0.00 0.00 42.92 40.84 3ngb s ASP 70 CO 0.69 -0.05 0.21 -0.31 -0.00 0.00 0.00 175.17 175.72 3ngb s TYR 71 N 1.65 3.35 -0.06 4.23 1.51 -0.79 -2.76 117.35 124.48 3ngb s TYR 71 Ca 0.09 0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 3ngb s TYR 71 Cb -0.15 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3ngb s TYR 71 CO 0.09 0.52 -0.16 -0.80 -1.11 0.00 0.00 175.55 174.10 3ngb s ASN 72 N -3.05 2.14 -0.20 2.29 -0.87 -0.84 -1.89 114.94 112.51 3ngb s ASN 72 Ca 0.33 -0.36 -0.00 0.00 -1.57 0.00 0.00 52.86 51.26 3ngb s ASN 72 Cb -0.11 -0.79 0.02 0.00 -0.02 0.00 0.00 41.25 40.35 3ngb s ASN 72 CO 0.26 0.11 -0.14 -0.22 -2.57 0.00 0.00 177.10 174.54 3ngb s LEU 73 N 0.31 2.53 -0.03 0.60 2.96 0.18 -1.40 118.68 123.83 3ngb s LEU 73 Ca -0.10 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.17 3ngb s LEU 73 Cb -0.14 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 3ngb s LEU 73 CO 0.04 -0.04 -0.14 0.28 -1.32 0.00 0.00 176.35 175.17 3ngb s THR 74 N 1.32 1.18 -0.15 3.68 -1.32 -0.58 -1.55 115.64 118.22 3ngb s THR 74 Ca 0.03 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.87 3ngb s THR 74 Cb -0.14 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.81 3ngb s THR 74 CO -0.09 0.34 0.00 -0.63 -2.21 0.00 0.00 174.62 172.03 3ngb s ILE 75 N -0.06 4.26 -0.05 5.08 1.09 -0.79 -2.26 121.20 128.47 3ngb s ILE 75 Ca -0.00 -0.23 -0.26 0.00 -1.10 0.00 0.00 60.65 59.05 3ngb s ILE 75 Cb -0.09 -2.87 -0.22 0.00 -1.06 0.00 0.00 42.46 38.23 3ngb s ILE 75 CO 0.01 0.51 1.10 0.28 -0.10 0.00 0.00 174.94 176.74 3ngb h SER 76 N 6.33 0.07 -2.60 3.58 0.02 -1.79 -3.09 113.55 116.07 3ngb h SER 76 Ca -0.37 -0.67 -0.56 0.00 -0.84 0.00 0.00 61.79 59.34 3ngb h SER 76 Cb 1.18 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 63.32 3ngb h SER 76 CO 0.63 0.73 -0.83 0.21 -1.14 0.00 0.00 176.83 176.43 3ngb s ASN 77 N -5.97 3.01 0.31 3.07 2.47 -1.26 -4.45 114.94 112.11 3ngb s ASN 77 Ca -0.17 -1.96 -0.28 0.00 0.42 0.00 0.00 52.86 50.88 3ngb s ASN 77 Cb 0.01 -0.34 -0.13 0.00 -1.45 0.00 0.00 41.25 39.33 3ngb s ASN 77 CO 0.70 -0.34 1.12 0.18 -3.72 0.00 0.00 177.10 175.04 3ngb n LEU 78 N 4.32 2.49 0.00 3.21 4.32 -1.21 -4.85 117.00 125.28 3ngb n LEU 78 Ca 0.08 1.19 -0.09 0.00 -0.02 0.00 0.00 56.01 57.17 3ngb n LEU 78 Cb 0.38 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 40.80 3ngb n LEU 78 CO 0.12 -1.04 -0.07 -0.62 -1.22 0.00 0.00 177.39 174.56 3ngb n GLU 79 N 0.65 1.24 0.21 3.23 1.02 -1.26 -3.30 120.64 122.43 3ngb n GLU 79 Ca 0.08 -1.16 0.15 0.00 -0.02 0.00 0.00 57.16 56.21 3ngb n GLU 79 Cb 0.34 0.45 0.60 0.00 -0.02 0.00 0.00 31.44 32.81 3ngb n GLU 79 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3ngb h SER 80 N 0.46 0.00 -0.00 1.62 0.02 -1.99 -3.00 113.55 110.65 3ngb h SER 80 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3ngb h SER 80 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3ngb h SER 80 CO 0.20 0.00 -0.35 0.61 -1.14 0.00 0.00 176.83 176.14 3ngb n GLY 81 N -0.02 -0.03 0.00 -3.77 0.00 -1.26 -4.48 105.19 95.63 3ngb n GLY 81 Ca 0.01 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.77 0.02 -4.78 1.61 8.00 -1.13 -4.83 116.55 114.65 3ngb n ASP 82 Ca 0.03 0.17 -0.37 0.00 0.71 0.00 0.00 54.79 55.33 3ngb n ASP 82 Cb 0.19 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.79 3.65 -3.19 1.24 0.08 -1.26 -4.92 117.98 110.78 3ngb s PHE 83 Ca 0.21 1.77 0.00 0.00 0.12 0.00 0.00 56.93 59.03 3ngb s PHE 83 Cb 0.20 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 3ngb s PHE 83 CO 0.50 0.14 0.00 0.41 -0.10 0.00 0.00 175.22 176.17 3ngb n GLY 84 N 0.48 -0.40 3.12 4.36 0.00 -0.95 -4.70 105.19 107.09 3ngb n GLY 84 Ca 0.02 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.00 1.48 -0.10 1.61 0.11 -0.82 -0.08 120.40 118.59 3ngb s VAL 85 Ca 0.00 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3ngb s VAL 85 Cb 0.00 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 3ngb s VAL 85 CO 0.00 0.43 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.80 3ngb s TYR 86 N 0.30 2.90 0.07 1.54 1.51 -0.03 -0.83 117.35 122.80 3ngb s TYR 86 Ca -0.10 -0.25 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 3ngb s TYR 86 Cb -0.14 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3ngb s TYR 86 CO 0.04 0.08 -0.23 0.71 -1.11 0.00 0.00 175.55 175.04 3ngb s TYR 87 N -0.20 2.42 0.06 2.71 2.02 -0.81 -0.72 117.35 122.82 3ngb s TYR 87 Ca 0.02 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3ngb s TYR 87 Cb -0.13 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3ngb s TYR 87 CO 0.03 0.24 0.13 0.00 -1.57 0.00 0.00 175.55 174.37 3ngb s GLN 89 N -2.30 0.19 -0.24 0.00 0.74 -0.03 -0.85 119.66 117.17 3ngb s GLN 89 Ca 0.30 -0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.60 3ngb s GLN 89 Cb -0.12 -0.20 0.08 0.00 1.10 0.00 0.00 33.01 33.86 3ngb s GLN 89 CO 0.22 0.03 0.11 -1.14 -0.55 0.00 0.00 175.29 173.97 3ngb s GLN 90 N 0.06 0.16 7.61 1.67 0.74 -0.53 -1.13 119.66 128.24 3ngb s GLN 90 Ca -0.00 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.04 3ngb s GLN 90 Cb -0.02 -1.47 0.00 0.00 1.10 0.00 0.00 33.01 32.62 3ngb s GLN 90 CO -0.00 -0.87 0.00 0.66 -0.55 0.00 0.00 175.29 174.53 3ngb n TYR 91 N 5.25 0.00 1.11 1.67 4.02 -1.26 -2.67 117.16 125.27 3ngb n TYR 91 Ca -0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.95 3ngb n TYR 91 Cb 0.45 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.94 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 10.77 1.73 -4.06 -0.72 0.00 -1.26 -4.93 120.64 122.17 3ngb n GLU 96 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 57.16 55.46 3ngb n GLU 96 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 31.44 29.90 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 -2.19 3.44 0.46 -1.84 0.40 -1.09 -5.11 117.98 112.04 3ngb s PHE 97 Ca 0.27 0.40 0.05 0.00 -0.60 0.00 0.00 56.93 57.04 3ngb s PHE 97 Cb 0.20 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3ngb s PHE 97 CO 0.41 0.64 0.06 -0.06 0.70 0.00 0.00 175.22 176.97 3ngb s PHE 98 N -1.00 2.22 0.29 0.36 0.40 -1.26 -1.46 117.98 117.52 3ngb s PHE 98 Ca 0.15 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 3ngb s PHE 98 Cb -0.12 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 3ngb s PHE 98 CO 0.04 0.25 0.41 0.20 0.70 0.00 0.00 175.22 176.83 3ngb s GLY 99 N -3.85 1.40 0.29 4.36 0.00 -0.03 -4.77 107.32 104.71 3ngb s GLY 99 Ca 0.25 -1.34 0.22 0.00 0.00 0.00 0.00 44.72 43.85 3ngb s GLY 99 CO 0.13 -1.31 1.67 0.61 0.00 0.00 0.00 173.10 174.20 3ngb n GLN 100 N -1.52 0.16 0.00 2.90 0.00 -1.26 -4.69 117.38 112.97 3ngb n GLN 100 Ca -0.05 0.55 0.00 0.00 0.00 0.00 0.00 57.00 57.50 3ngb n GLN 100 Cb 0.57 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.90 3ngb n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ngb n GLY 101 N -0.77 0.77 2.72 2.61 0.00 -1.26 -5.03 105.19 104.24 3ngb n GLY 101 Ca 0.00 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.48 -0.14 -0.25 2.61 2.01 0.10 -4.66 115.64 112.84 3ngb s THR 102 Ca 0.00 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 3ngb s THR 102 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 3ngb s THR 102 CO 0.00 0.16 0.55 -0.75 -0.69 0.00 0.00 174.62 173.89 3ngb s LYS 103 N 2.09 4.10 -0.33 4.92 2.20 -1.05 -0.86 119.74 130.82 3ngb s LYS 103 Ca 0.03 0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 55.94 3ngb s LYS 103 Cb -0.12 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3ngb s LYS 103 CO -0.04 -0.33 0.16 0.14 -0.36 0.00 0.00 175.35 174.93 3ngb s VAL 104 N 2.23 4.51 0.13 4.02 -7.23 0.88 -0.50 120.40 124.44 3ngb s VAL 104 Ca 0.23 -0.63 0.07 0.00 -1.81 0.00 0.00 61.98 59.85 3ngb s VAL 104 Cb -0.16 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 3ngb s VAL 104 CO 0.09 -0.05 -0.17 0.00 -0.31 0.00 0.00 175.10 174.66 3ngb s GLN 105 N 1.57 1.12 0.72 4.82 -2.07 -1.08 -2.24 119.66 122.51 3ngb s GLN 105 Ca 0.03 -1.26 -0.16 0.00 -1.82 0.00 0.00 55.36 52.16 3ngb s GLN 105 Cb -0.18 -1.16 0.01 0.00 -1.09 0.00 0.00 33.01 30.60 3ngb s GLN 105 CO 0.06 0.24 1.05 1.33 -1.32 0.00 0.00 175.29 176.65 3ngb n VAL 106 N 0.63 3.01 -3.42 3.63 0.24 -1.26 -2.47 118.33 118.69 3ngb n VAL 106 Ca -0.16 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 61.58 3ngb n VAL 106 Cb 0.56 -1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 31.65 3ngb n VAL 106 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ngb s ASP 107 N -1.67 1.97 -0.09 -1.34 3.68 -0.46 -4.69 116.67 114.07 3ngb s ASP 107 Ca 0.75 -0.94 -0.29 0.00 2.13 0.00 0.00 52.55 54.19 3ngb s ASP 107 Cb -0.34 0.35 -0.07 0.00 -1.45 0.00 0.00 42.92 41.41 3ngb s ASP 107 CO 0.49 -0.39 2.09 -0.38 0.13 0.00 0.00 175.17 177.11 3ngb n ILE 108 N 5.19 0.56 -1.84 4.11 5.41 -1.26 -4.39 119.36 127.14 3ngb n ILE 108 Ca -0.01 -0.29 -0.33 0.00 1.00 0.00 0.00 62.75 63.12 3ngb n ILE 108 Cb 0.45 -2.41 0.03 0.00 -0.71 0.00 0.00 39.64 37.01 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 5.35 3.01 0.00 0.38 1.02 -1.26 -5.01 119.74 123.23 3ngb s LYS 109 Ca 0.95 1.26 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3ngb s LYS 109 Cb -0.41 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3ngb s LYS 109 CO 0.39 -1.07 0.00 2.89 -0.92 0.00 0.00 175.35 176.65 3ngb n ARG 110 N -2.36 0.00 -4.23 1.68 1.85 -1.26 -5.13 116.66 107.22 3ngb n ARG 110 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.78 3ngb n ARG 110 Cb 0.53 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.79 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 2.23 0.51 0.23 8.89 -4.23 -1.26 -5.12 115.64 116.89 3ngb s THR 111 Ca 0.00 -0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 59.95 3ngb s THR 111 Cb 0.00 -0.43 -0.15 0.00 1.34 0.00 0.00 72.50 73.25 3ngb s THR 111 CO 0.00 0.15 0.90 0.52 -0.54 0.00 0.00 174.62 175.65 3ngb n VAL 112 N 2.95 1.73 -4.32 2.29 0.31 -1.26 -4.89 118.33 115.14 3ngb n VAL 112 Ca -0.13 -0.43 -0.17 0.00 -0.01 0.00 0.00 64.34 63.60 3ngb n VAL 112 Cb 0.58 -0.66 -0.10 0.00 -0.91 0.00 0.00 33.84 32.74 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 -0.85 1.75 -0.18 3.52 0.00 -0.75 -4.98 121.76 120.27 3ngb s ALA 113 Ca 0.64 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 3ngb s ALA 113 Cb -0.81 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3ngb s ALA 113 CO 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 175.76 176.00 3ngb s ALA 114 N -3.53 3.02 -0.27 0.00 0.00 -1.26 -3.92 121.76 115.80 3ngb s ALA 114 Ca 0.30 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 3ngb s ALA 114 Cb 0.06 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 3ngb s ALA 114 CO 0.09 0.03 1.47 -2.14 0.00 0.00 0.00 175.76 175.21 3ngb s PRO 115 N 0.69 3.82 -0.63 0.00 0.02 -1.26 -4.70 135.00 132.94 3ngb s PRO 115 Ca -0.01 1.43 -0.27 0.00 0.02 0.00 0.00 61.00 62.17 3ngb s PRO 115 Cb -0.14 -3.97 0.01 0.00 0.02 0.00 0.00 34.50 30.41 3ngb s PRO 115 CO 0.02 -1.25 1.54 -1.54 -0.33 0.00 0.00 177.00 175.44 3ngb s SER 116 N 3.65 5.82 0.15 2.53 1.04 -1.25 -4.85 113.70 120.79 3ngb s SER 116 Ca 0.65 0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.95 3ngb s SER 116 Cb -0.21 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.29 3ngb s SER 116 CO 0.27 -2.00 0.67 -0.69 0.98 0.00 0.00 173.24 172.47 3ngb s VAL 117 N 7.06 4.61 0.00 5.02 1.01 -1.26 -2.26 120.40 134.58 3ngb s VAL 117 Ca 0.53 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3ngb s VAL 117 Cb -0.11 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3ngb s VAL 117 CO 0.20 0.41 0.00 0.49 0.00 0.00 0.00 175.10 176.20 3ngb n PHE 118 N 1.28 0.00 -3.64 5.22 3.72 -0.12 -4.99 117.46 118.94 3ngb n PHE 118 Ca -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.28 3ngb n PHE 118 Cb 0.50 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 3ngb n PHE 118 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3ngb s ILE 119 N 0.70 0.00 -0.29 4.37 2.07 -1.26 -4.18 121.20 122.61 3ngb s ILE 119 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 3ngb s ILE 119 Cb 0.00 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.68 3ngb s ILE 119 CO 0.00 0.00 0.09 -0.36 -1.91 0.00 0.00 174.94 172.76 3ngb s PHE 120 N 0.07 1.43 0.82 3.50 0.08 -1.00 -5.00 117.98 117.88 3ngb s PHE 120 Ca 0.05 -1.50 -0.11 0.00 0.12 0.00 0.00 56.93 55.49 3ngb s PHE 120 Cb -0.05 -1.51 0.09 0.00 -0.57 0.00 0.00 43.02 40.99 3ngb s PHE 120 CO -0.10 -0.84 1.14 -2.14 -0.10 0.00 0.00 175.22 173.18 3ngb s PRO 121 N 1.72 1.73 1.11 0.24 0.02 -1.26 -3.34 135.00 135.21 3ngb s PRO 121 Ca 0.08 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.42 3ngb s PRO 121 Cb -0.17 -1.82 0.24 0.00 0.02 0.00 0.00 34.50 32.77 3ngb s PRO 121 CO -0.25 -2.08 0.97 -2.30 -0.33 0.00 0.00 177.00 173.01 3ngb n PRO 122 N -3.63 -1.87 -3.85 5.54 -0.02 -1.26 -4.97 135.00 124.93 3ngb n PRO 122 Ca 0.11 -0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 60.86 3ngb n PRO 122 Cb 0.52 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.41 4.77 0.00 2.55 1.04 -1.26 -5.03 113.70 113.36 3ngb s SER 123 Ca 0.67 -0.87 0.26 0.00 0.48 0.00 0.00 55.95 56.49 3ngb s SER 123 Cb -0.24 -0.56 0.67 0.00 0.10 0.00 0.00 66.02 65.98 3ngb s SER 123 CO 0.64 -0.57 1.52 0.47 0.98 0.00 0.00 173.24 176.28 3ngb n ASP 124 N -1.38 0.47 0.01 7.02 10.43 -1.26 -3.50 116.55 128.34 3ngb n ASP 124 Ca 0.01 -0.21 0.04 0.00 2.57 0.00 0.00 54.79 57.21 3ngb n ASP 124 Cb 0.63 0.12 -0.10 0.00 1.84 0.00 0.00 41.12 43.60 3ngb n ASP 124 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3ngb n GLU 125 N -1.41 0.64 0.13 -1.24 2.13 -1.26 -4.08 120.64 115.56 3ngb n GLU 125 Ca 0.07 0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.97 3ngb n GLU 125 Cb 0.33 -1.68 0.03 0.00 0.27 0.00 0.00 31.44 30.39 3ngb n GLU 125 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3ngb h GLN 126 N 0.00 0.00 0.00 5.31 4.15 -1.91 -3.21 115.11 119.45 3ngb h GLN 126 Ca -0.14 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3ngb h GLN 126 Cb 1.38 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.07 3ngb h GLN 126 CO 0.02 0.31 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.12 3ngb h LEU 127 N 0.00 0.00 0.00 -2.39 3.38 -1.72 -2.89 115.31 111.69 3ngb h LEU 127 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ngb h LEU 127 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ngb h LEU 127 CO 0.04 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.90 3ngb n LYS 128 N -3.11 0.00 -0.00 1.13 5.02 -1.21 -3.24 118.16 116.75 3ngb n LYS 128 Ca 0.03 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.41 3ngb n LYS 128 Cb 0.49 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 3ngb n LYS 128 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ngb n SER 129 N -1.50 0.93 0.00 4.39 3.41 -1.10 -5.09 113.62 114.66 3ngb n SER 129 Ca 0.07 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3ngb n SER 129 Cb 0.33 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 1.45 1.03 3.54 5.00 0.00 -1.14 -5.11 105.19 109.96 3ngb n GLY 130 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.79 2.61 -2.24 -1.26 -3.56 114.28 105.03 3ngb n THR 131 Ca 0.00 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 3ngb n THR 131 Cb 0.00 -0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 67.08 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 -2.49 1.52 0.14 6.98 0.00 -1.26 -4.42 121.76 122.23 3ngb s ALA 132 Ca 0.68 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.06 3ngb s ALA 132 Cb -0.24 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3ngb s ALA 132 CO 0.63 0.21 0.15 -1.12 0.00 0.00 0.00 175.76 175.63 3ngb s SER 133 N 0.37 5.71 -0.01 0.00 0.01 -1.26 -3.84 113.70 114.68 3ngb s SER 133 Ca -0.11 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.16 3ngb s SER 133 Cb -0.15 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 3ngb s SER 133 CO 0.04 0.09 -0.15 -0.69 0.41 0.00 0.00 173.24 172.95 3ngb s VAL 134 N -1.66 1.16 0.00 3.43 1.01 -1.11 -4.14 120.40 119.10 3ngb s VAL 134 Ca 0.31 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3ngb s VAL 134 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3ngb s VAL 134 CO 0.24 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 3ngb s VAL 135 N -0.29 1.24 -0.32 2.92 1.01 -1.21 -2.58 120.40 121.17 3ngb s VAL 135 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3ngb s VAL 135 Cb -0.06 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.37 3ngb s VAL 135 CO -0.00 0.28 0.13 0.00 0.00 0.00 0.00 175.10 175.51 3ngb s LEU 137 N 1.65 4.30 -0.61 0.00 2.96 -1.26 -3.09 118.68 122.62 3ngb s LEU 137 Ca 0.11 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 3ngb s LEU 137 Cb -0.18 -3.22 0.15 0.00 0.50 0.00 0.00 46.19 43.44 3ngb s LEU 137 CO -0.25 -0.21 0.39 -0.76 -1.32 0.00 0.00 176.35 174.20 3ngb s LEU 138 N 1.14 4.71 0.00 -0.68 1.02 -0.31 -0.94 118.68 123.62 3ngb s LEU 138 Ca 0.41 -3.25 -0.21 0.00 0.02 0.00 0.00 54.13 51.10 3ngb s LEU 138 Cb -0.18 -1.70 0.32 0.00 0.02 0.00 0.00 46.19 44.65 3ngb s LEU 138 CO 0.19 -0.22 0.93 -3.20 0.02 0.00 0.00 176.35 174.07 3ngb n ASN 139 N 2.84 -2.99 0.00 2.29 5.15 -0.96 -1.85 115.26 119.74 3ngb n ASN 139 Ca 0.10 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3ngb n ASN 139 Cb 0.34 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 3ngb n ASN 139 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ngb n ASN 140 N -5.20 0.00 -3.73 1.20 4.13 -1.17 -3.87 115.26 106.62 3ngb n ASN 140 Ca 0.14 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.34 3ngb n ASN 140 Cb 0.56 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.79 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 0.00 -0.14 -0.29 3.10 -0.71 -1.21 -4.02 117.98 114.72 3ngb s PHE 141 Ca 0.00 -0.30 -0.25 0.00 -1.04 0.00 0.00 56.93 55.34 3ngb s PHE 141 Cb 0.00 0.70 0.14 0.00 -1.21 0.00 0.00 43.02 42.65 3ngb s PHE 141 CO 0.00 -1.15 1.14 -0.47 -1.34 0.00 0.00 175.22 173.40 3ngb s TYR 142 N -3.54 -0.37 0.00 3.49 5.04 -1.26 -2.13 117.35 118.59 3ngb s TYR 142 Ca 0.12 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3ngb s TYR 142 Cb -0.05 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.66 3ngb s TYR 142 CO 0.06 -0.18 0.00 -2.30 -1.34 0.00 0.00 175.55 171.79 3ngb n PRO 143 N 2.11 -0.74 0.00 4.97 -0.02 -1.26 -1.80 135.00 138.26 3ngb n PRO 143 Ca -0.12 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.23 3ngb n PRO 143 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.94 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 -0.04 -6.13 -0.52 2.43 -1.96 -3.46 114.38 104.71 3ngb h ARG 144 Ca 0.00 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.42 3ngb h ARG 144 Cb 0.00 0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3ngb h ARG 144 CO 0.00 0.44 0.54 0.39 -1.51 0.00 0.00 179.97 179.83 3ngb n GLU 145 N -4.87 0.69 -3.17 0.20 4.71 -1.26 -4.95 120.64 111.98 3ngb n GLU 145 Ca -0.09 0.25 0.04 0.00 -0.01 0.00 0.00 57.16 57.35 3ngb n GLU 145 Cb 0.26 -1.85 -0.01 0.00 -1.01 0.00 0.00 31.44 28.83 3ngb n GLU 145 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ngb s ALA 146 N 1.70 -2.30 -0.49 0.62 0.00 -1.26 -4.73 121.76 115.29 3ngb s ALA 146 Ca 0.94 1.85 -0.29 0.00 0.00 0.00 0.00 51.96 54.46 3ngb s ALA 146 Cb -1.16 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3ngb s ALA 146 CO 0.61 -1.32 1.23 0.21 0.00 0.00 0.00 175.76 176.49 3ngb s LYS 147 N 2.86 3.61 -0.13 0.00 2.20 -1.17 -4.92 119.74 122.18 3ngb s LYS 147 Ca 0.19 0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 3ngb s LYS 147 Cb -0.15 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 3ngb s LYS 147 CO -0.20 -1.53 -0.01 0.08 -0.36 0.00 0.00 175.35 173.32 3ngb s VAL 148 N 4.90 4.15 -0.01 4.02 1.01 -1.26 -2.91 120.40 130.30 3ngb s VAL 148 Ca 0.50 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 3ngb s VAL 148 Cb -0.09 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3ngb s VAL 148 CO 0.30 0.53 0.02 -1.58 0.00 0.00 0.00 175.10 174.37 3ngb s GLN 149 N -0.07 0.01 0.20 2.72 0.74 -1.21 -4.96 119.66 117.10 3ngb s GLN 149 Ca 0.03 0.04 -0.02 0.00 0.05 0.00 0.00 55.36 55.46 3ngb s GLN 149 Cb -0.13 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 3ngb s GLN 149 CO 0.02 -0.02 0.40 -1.58 -0.55 0.00 0.00 175.29 173.57 3ngb s TRP 150 N 0.10 3.48 -0.05 1.67 0.52 -1.26 -1.12 118.94 122.28 3ngb s TRP 150 Ca -0.01 0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.49 3ngb s TRP 150 Cb -0.01 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3ngb s TRP 150 CO -0.00 0.37 0.10 0.15 0.02 0.00 0.00 176.95 177.59 3ngb s LYS 151 N -3.24 0.01 -0.65 4.98 1.02 -1.20 -3.37 119.74 117.28 3ngb s LYS 151 Ca 0.39 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.59 3ngb s LYS 151 Cb -0.11 -0.27 0.17 0.00 -0.52 0.00 0.00 37.83 37.10 3ngb s LYS 151 CO 0.28 -0.22 0.60 0.08 -0.92 0.00 0.00 175.35 175.17 3ngb s VAL 152 N 1.50 5.26 -0.96 3.17 1.01 -1.19 -4.02 120.40 125.17 3ngb s VAL 152 Ca -0.05 -1.95 -0.08 0.00 0.00 0.00 0.00 61.98 59.90 3ngb s VAL 152 Cb -0.12 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3ngb s VAL 152 CO -0.05 -0.93 0.78 0.47 0.00 0.00 0.00 175.10 175.38 3ngb n ASP 153 N 4.66 -6.42 -3.29 3.32 8.00 -1.19 -3.83 116.55 117.81 3ngb n ASP 153 Ca -0.02 -0.64 -0.12 0.00 0.71 0.00 0.00 54.79 54.72 3ngb n ASP 153 Cb 0.43 -4.31 0.03 0.00 -0.02 0.00 0.00 41.12 37.24 3ngb n ASP 153 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ngb n ASN 154 N -2.56 -6.78 -3.63 -2.24 4.13 -1.26 -5.04 115.26 97.87 3ngb n ASN 154 Ca -0.08 -0.50 -0.12 0.00 1.68 0.00 0.00 54.58 55.56 3ngb n ASN 154 Cb 0.58 -4.61 -0.07 0.00 -1.54 0.00 0.00 39.78 34.14 3ngb n ASN 154 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ngb s ALA 155 N -3.19 -1.85 0.18 5.41 0.00 -1.25 -5.14 121.76 115.93 3ngb s ALA 155 Ca 0.21 1.98 -0.31 0.00 0.00 0.00 0.00 51.96 53.84 3ngb s ALA 155 Cb -0.04 -1.27 -0.10 0.00 0.00 0.00 0.00 23.12 21.70 3ngb s ALA 155 CO 0.78 -0.31 1.59 -1.17 0.00 0.00 0.00 175.76 176.65 3ngb s LEU 156 N 0.34 4.37 0.01 0.00 2.96 -1.26 -3.20 118.68 121.91 3ngb s LEU 156 Ca 0.01 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.61 3ngb s LEU 156 Cb -0.05 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3ngb s LEU 156 CO -0.02 -0.84 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.00 3ngb s GLN 157 N 1.01 0.51 -0.13 1.98 -1.52 -1.22 -4.91 119.66 115.38 3ngb s GLN 157 Ca 0.70 -0.43 -0.33 0.00 -1.95 0.00 0.00 55.36 53.34 3ngb s GLN 157 Cb -0.45 -0.42 0.13 0.00 -0.22 0.00 0.00 33.01 32.06 3ngb s GLN 157 CO 0.33 0.10 1.24 -1.54 -0.25 0.00 0.00 175.29 175.17 3ngb s SER 158 N -0.70 -0.10 0.00 5.90 1.04 -1.26 -4.44 113.70 114.13 3ngb s SER 158 Ca -0.02 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3ngb s SER 158 Cb -0.05 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3ngb s SER 158 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3ngb n GLY 159 N -0.24 1.13 1.31 7.32 0.00 -1.26 -4.94 105.19 108.52 3ngb n GLY 159 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.04 -4.67 1.61 6.94 -1.26 -5.14 115.26 111.71 3ngb n ASN 160 Ca 0.00 -1.94 -0.26 0.00 -0.02 0.00 0.00 54.58 52.36 3ngb n ASN 160 Cb 0.00 0.36 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 3ngb n ASN 160 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3ngb s SER 161 N -0.97 4.76 -0.22 0.53 0.01 -1.26 -3.94 113.70 112.61 3ngb s SER 161 Ca 0.02 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 3ngb s SER 161 Cb 0.09 -1.00 0.10 0.00 0.21 0.00 0.00 66.02 65.41 3ngb s SER 161 CO -0.03 0.07 0.21 -1.10 0.41 0.00 0.00 173.24 172.81 3ngb s GLN 162 N -3.08 0.20 0.90 12.44 -0.21 -1.03 -4.92 119.66 123.97 3ngb s GLN 162 Ca 0.28 0.10 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 3ngb s GLN 162 Cb -0.09 -1.19 0.16 0.00 1.00 0.00 0.00 33.01 32.89 3ngb s GLN 162 CO 0.19 -0.72 1.27 -1.21 -2.12 0.00 0.00 175.29 172.69 3ngb s GLU 163 N 2.30 1.11 -0.41 2.91 2.02 -1.26 -2.20 118.70 123.17 3ngb s GLU 163 Ca 0.07 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.83 3ngb s GLU 163 Cb -0.16 -1.89 0.27 0.00 0.10 0.00 0.00 34.13 32.45 3ngb s GLU 163 CO -0.16 -2.12 1.10 0.45 0.02 0.00 0.00 175.26 174.55 3ngb n SER 164 N -3.59 -2.08 -4.75 -0.19 2.88 -1.02 -4.90 113.62 99.97 3ngb n SER 164 Ca 0.13 -2.64 -0.41 0.00 -1.33 0.00 0.00 58.87 54.62 3ngb n SER 164 Cb 0.60 1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 65.40 3ngb n SER 164 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ngb s VAL 165 N 0.37 2.51 0.01 2.46 1.01 -1.25 -4.07 120.40 121.44 3ngb s VAL 165 Ca 0.28 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 3ngb s VAL 165 Cb 0.23 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3ngb s VAL 165 CO -0.16 0.08 0.01 0.35 0.00 0.00 0.00 175.10 175.38 3ngb n THR 166 N 2.06 0.00 -2.83 3.92 -2.24 -0.34 -4.96 114.28 109.89 3ngb n THR 166 Ca 0.06 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 3ngb n THR 166 Cb 0.40 -1.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 3ngb n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ngb s GLU 167 N -2.56 4.73 -0.19 -0.78 0.41 -1.26 -4.69 118.70 114.36 3ngb s GLU 167 Ca 0.01 1.36 -0.29 0.00 -0.41 0.00 0.00 54.97 55.63 3ngb s GLU 167 Cb -0.00 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 29.10 3ngb s GLU 167 CO 0.01 0.51 1.63 -1.14 -0.49 0.00 0.00 175.26 175.78 3ngb s GLN 168 N -1.27 3.85 0.65 1.61 0.74 -1.26 -4.74 119.66 119.23 3ngb s GLN 168 Ca 0.40 1.76 -0.17 0.00 0.05 0.00 0.00 55.36 57.40 3ngb s GLN 168 Cb -0.24 -4.03 -0.06 0.00 1.10 0.00 0.00 33.01 29.78 3ngb s GLN 168 CO 0.29 -1.23 0.61 -0.25 -0.55 0.00 0.00 175.29 174.16 3ngb n ASP 169 N 8.29 -0.77 -0.15 6.67 10.43 -1.14 -4.84 116.55 135.03 3ngb n ASP 169 Ca 0.19 0.68 0.14 0.00 2.57 0.00 0.00 54.79 58.37 3ngb n ASP 169 Cb 0.45 -1.23 0.62 0.00 1.84 0.00 0.00 41.12 42.79 3ngb n ASP 169 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3ngb n SER 170 N -0.12 0.58 0.03 -2.24 3.41 -1.26 -2.99 113.62 111.02 3ngb n SER 170 Ca 0.11 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 3ngb n SER 170 Cb 0.49 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3ngb n SER 170 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ngb n LYS 171 N -0.81 0.00 0.03 4.33 4.01 -1.26 -4.82 118.16 119.64 3ngb n LYS 171 Ca 0.16 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.08 3ngb n LYS 171 Cb 0.27 -0.21 0.51 0.00 -0.51 0.00 0.00 35.03 35.10 3ngb n LYS 171 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3ngb n ASP 172 N -2.95 0.24 -3.76 4.39 5.75 -1.26 -4.94 116.55 114.01 3ngb n ASP 172 Ca 0.00 0.53 -0.28 0.00 -0.01 0.00 0.00 54.79 55.03 3ngb n ASP 172 Cb 0.00 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 39.52 3ngb n ASP 172 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ngb n SER 173 N -1.74 -3.17 -4.21 -1.12 7.64 -1.16 -4.96 113.62 104.90 3ngb n SER 173 Ca 0.06 -0.98 -0.17 0.00 1.01 0.00 0.00 58.87 58.78 3ngb n SER 173 Cb 0.33 -3.39 -0.11 0.00 -1.01 0.00 0.00 64.21 60.03 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 -3.65 1.16 0.35 0.44 -4.23 -1.26 -4.81 115.64 103.64 3ngb s THR 174 Ca 0.26 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 3ngb s THR 174 Cb -0.09 -1.37 0.05 0.00 1.34 0.00 0.00 72.50 72.43 3ngb s THR 174 CO 0.86 -0.42 0.44 -1.22 -0.54 0.00 0.00 174.62 173.75 3ngb n TYR 175 N 0.71 -2.23 -3.67 3.99 4.01 -0.90 -2.87 117.16 116.19 3ngb n TYR 175 Ca -0.17 -1.32 -0.09 0.00 -0.16 0.00 0.00 57.90 56.16 3ngb n TYR 175 Cb 0.57 -0.32 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 3ngb n TYR 175 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3ngb s SER 176 N -3.16 -0.64 0.16 7.72 0.01 -1.26 -3.07 113.70 113.46 3ngb s SER 176 Ca 0.34 1.12 0.09 0.00 1.31 0.00 0.00 55.95 58.81 3ngb s SER 176 Cb -0.03 1.10 -0.04 0.00 0.21 0.00 0.00 66.02 67.26 3ngb s SER 176 CO 0.21 -0.21 -0.13 -0.22 0.41 0.00 0.00 173.24 173.30 3ngb s LEU 177 N 1.69 2.87 -0.21 2.44 2.96 -0.77 -1.20 118.68 126.46 3ngb s LEU 177 Ca -0.09 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.17 3ngb s LEU 177 Cb -0.08 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.10 3ngb s LEU 177 CO -0.15 0.13 0.46 -0.94 -1.32 0.00 0.00 176.35 174.52 3ngb s SER 178 N -2.62 -0.41 0.30 3.68 1.04 -1.26 -1.16 113.70 113.27 3ngb s SER 178 Ca 0.23 1.09 0.06 0.00 0.48 0.00 0.00 55.95 57.81 3ngb s SER 178 Cb -0.09 1.50 -0.02 0.00 0.10 0.00 0.00 66.02 67.51 3ngb s SER 178 CO 0.14 -0.23 0.43 -0.44 0.98 0.00 0.00 173.24 174.11 3ngb s SER 179 N 2.65 6.10 -0.10 7.02 0.01 -1.18 -2.44 113.70 125.76 3ngb s SER 179 Ca -0.03 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 3ngb s SER 179 Cb -0.12 -1.47 0.04 0.00 0.21 0.00 0.00 66.02 64.68 3ngb s SER 179 CO -0.14 -0.29 0.24 -0.89 0.41 0.00 0.00 173.24 172.56 3ngb s THR 180 N -2.10 -0.02 -0.27 1.44 2.01 -0.94 -3.43 115.64 112.34 3ngb s THR 180 Ca 0.41 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.51 3ngb s THR 180 Cb -0.09 -0.35 0.07 0.00 0.01 0.00 0.00 72.50 72.13 3ngb s THR 180 CO 0.30 0.04 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.01 3ngb s LEU 181 N 0.79 3.15 -0.18 4.42 1.98 -1.06 -2.46 118.68 125.31 3ngb s LEU 181 Ca -0.05 -1.44 -0.02 0.00 -2.89 0.00 0.00 54.13 49.73 3ngb s LEU 181 Cb -0.07 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.44 3ngb s LEU 181 CO -0.05 -0.26 -0.09 -0.89 -1.89 0.00 0.00 176.35 173.17 3ngb s THR 182 N 1.25 3.16 0.00 3.68 2.01 -1.25 -2.73 115.64 121.75 3ngb s THR 182 Ca -0.03 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.38 3ngb s THR 182 Cb -0.19 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3ngb s THR 182 CO -0.08 0.48 0.00 0.18 -0.69 0.00 0.00 174.62 174.51 3ngb n LEU 183 N 4.18 0.00 -3.79 4.42 4.77 -1.25 -5.02 117.00 120.31 3ngb n LEU 183 Ca -0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 3ngb n LEU 183 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3ngb n LEU 183 CO 0.30 0.00 0.67 -0.94 -1.33 0.00 0.00 177.39 176.09 3ngb s SER 184 N 1.00 -0.18 0.28 -1.43 1.04 -1.26 -4.69 113.70 108.46 3ngb s SER 184 Ca 0.00 -0.48 0.12 0.00 0.48 0.00 0.00 55.95 56.07 3ngb s SER 184 Cb 0.00 0.55 0.34 0.00 0.10 0.00 0.00 66.02 67.01 3ngb s SER 184 CO 0.00 -1.02 1.59 0.50 0.98 0.00 0.00 173.24 175.29 3ngb h LYS 185 N 2.00 0.00 0.16 4.02 3.64 -1.86 -2.85 116.57 121.68 3ngb h LYS 185 Ca -0.23 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.85 3ngb h LYS 185 Cb 1.23 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3ngb h LYS 185 CO 0.26 0.61 -1.29 0.00 -2.27 0.00 0.00 179.45 176.75 3ngb h ALA 186 N 1.39 0.01 0.00 5.00 0.00 -1.96 -2.97 119.26 120.74 3ngb h ALA 186 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3ngb h ALA 186 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ngb h ALA 186 CO 0.08 0.80 0.00 -0.44 0.00 0.00 0.00 179.25 179.69 3ngb h ASP 187 N 0.16 0.00 0.25 0.00 3.45 -1.96 -3.25 116.42 115.07 3ngb h ASP 187 Ca -0.18 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 56.94 3ngb h ASP 187 Cb 1.99 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.72 3ngb h ASP 187 CO 0.23 0.00 -1.94 0.00 -1.57 0.00 0.00 179.24 175.96 3ngb n TYR 188 N -2.32 1.03 -1.06 4.55 9.36 -1.08 -4.36 117.16 123.28 3ngb n TYR 188 Ca 0.04 0.27 -0.14 0.00 3.32 0.00 0.00 57.90 61.40 3ngb n TYR 188 Cb 0.38 -1.16 -0.14 0.00 -0.63 0.00 0.00 39.34 37.79 3ngb n TYR 188 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3ngb n GLU 189 N -3.27 2.02 0.00 2.98 -0.58 -1.12 -3.29 120.64 117.37 3ngb n GLU 189 Ca -0.27 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 3ngb n GLU 189 Cb 1.05 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 3ngb n GLU 189 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ngb n LYS 190 N 2.18 1.51 -3.98 3.49 5.02 -1.26 -5.03 118.16 120.09 3ngb n LYS 190 Ca 0.42 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.49 3ngb n LYS 190 Cb 0.84 -0.13 -0.06 0.00 -0.02 0.00 0.00 35.03 35.67 3ngb n LYS 190 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ngb n HIS 191 N -0.18 0.37 0.00 2.13 8.25 -1.21 -5.11 115.22 119.48 3ngb n HIS 191 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 57.72 55.40 3ngb n HIS 191 Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3ngb n HIS 191 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ngb n LYS 192 N -0.82 0.00 -4.14 -0.41 2.85 -1.26 -4.81 118.16 109.57 3ngb n LYS 192 Ca -0.08 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 3ngb n LYS 192 Cb 0.50 -0.33 -0.10 0.00 -0.65 0.00 0.00 35.03 34.44 3ngb n LYS 192 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ngb s VAL 193 N -1.88 4.59 0.06 0.58 1.01 -1.26 -0.96 120.40 122.53 3ngb s VAL 193 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ngb s VAL 193 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3ngb s VAL 193 CO 0.00 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.24 3ngb s TYR 194 N 0.01 0.64 -0.20 5.22 1.51 -1.24 -3.20 117.35 120.10 3ngb s TYR 194 Ca 0.05 -0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 3ngb s TYR 194 Cb -0.12 -0.40 0.13 0.00 -0.11 0.00 0.00 41.96 41.46 3ngb s TYR 194 CO 0.01 -0.21 1.06 0.00 -1.11 0.00 0.00 175.55 175.30 3ngb s ALA 195 N -2.87 -1.97 -0.20 3.71 0.00 -1.26 -4.17 121.76 115.00 3ngb s ALA 195 Ca 0.01 1.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.57 3ngb s ALA 195 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3ngb s ALA 195 CO -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 175.76 175.51 3ngb s GLU 197 N 0.73 3.19 -0.35 0.00 2.56 -0.27 -4.49 118.70 120.06 3ngb s GLU 197 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 54.97 54.26 3ngb s GLU 197 Cb -0.13 -4.17 -0.00 0.00 2.00 0.00 0.00 34.13 31.83 3ngb s GLU 197 CO 0.02 -1.78 0.54 0.08 -0.56 0.00 0.00 175.26 173.55 3ngb s VAL 198 N 4.33 4.99 -0.10 3.70 1.01 -1.00 -3.30 120.40 130.03 3ngb s VAL 198 Ca 0.27 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.63 3ngb s VAL 198 Cb -0.14 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3ngb s VAL 198 CO 0.14 -0.24 -0.15 0.42 0.00 0.00 0.00 175.10 175.26 3ngb s THR 199 N 2.45 2.88 0.26 3.92 -4.23 -1.15 -2.44 115.64 117.33 3ngb s THR 199 Ca 0.20 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 3ngb s THR 199 Cb -0.15 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3ngb s THR 199 CO 0.14 0.55 0.36 -2.28 -0.54 0.00 0.00 174.62 172.84 3ngb s HIS 200 N 0.07 0.86 0.02 3.99 2.46 -1.26 -3.07 115.29 118.37 3ngb s HIS 200 Ca -0.06 -1.12 0.12 0.00 0.47 0.00 0.00 55.06 54.46 3ngb s HIS 200 Cb -0.15 -0.16 0.03 0.00 -0.13 0.00 0.00 32.58 32.17 3ngb s HIS 200 CO 0.05 -0.91 1.41 0.37 -2.47 0.00 0.00 174.74 173.19 3ngb h GLN 201 N 2.33 0.00 0.00 2.88 4.15 -1.88 -3.15 115.11 119.44 3ngb h GLN 201 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3ngb h GLN 201 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3ngb h GLN 201 CO 0.42 0.71 -0.31 0.41 -1.93 0.00 0.00 178.83 178.13 3ngb n GLY 202 N 1.11 -1.55 3.19 2.39 0.00 -1.25 -4.63 105.19 104.44 3ngb n GLY 202 Ca 0.01 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.31 5.08 0.28 0.99 1.43 -1.19 -4.78 118.68 116.18 3ngb s LEU 203 Ca 0.09 -1.74 -0.03 0.00 -1.03 0.00 0.00 54.13 51.42 3ngb s LEU 203 Cb 0.13 -1.88 0.40 0.00 0.03 0.00 0.00 46.19 44.87 3ngb s LEU 203 CO 0.66 -0.52 1.94 0.08 0.23 0.00 0.00 176.35 178.74 3ngb h ARG 204 N 8.20 1.15 -6.07 1.70 -0.00 -1.82 -3.37 114.38 114.18 3ngb h ARG 204 Ca -0.18 -0.07 -0.68 0.00 -0.00 0.00 0.00 59.98 59.05 3ngb h ARG 204 Cb 1.06 -0.26 -0.18 0.00 -0.00 0.00 0.00 29.97 30.59 3ngb h ARG 204 CO 0.71 0.76 -0.68 -1.54 -0.00 0.00 0.00 179.97 179.22 3ngb s SER 205 N -6.16 4.76 -0.74 0.08 1.04 -1.26 -5.03 113.70 106.39 3ngb s SER 205 Ca -0.12 0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.07 3ngb s SER 205 Cb 0.18 -1.26 -0.14 0.00 0.10 0.00 0.00 66.02 64.91 3ngb s SER 205 CO 0.80 0.36 2.41 -2.65 0.98 0.00 0.00 173.24 175.14 3ngb n PRO 206 N 2.28 0.62 -2.20 4.02 -0.02 -1.26 -4.92 135.00 133.53 3ngb n PRO 206 Ca -0.18 -0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 60.34 3ngb n PRO 206 Cb 0.53 -3.38 -0.03 0.00 -0.02 0.00 0.00 33.50 30.60 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 12.98 2.97 -0.15 -1.45 1.01 -1.02 -4.78 120.40 129.96 3ngb s VAL 207 Ca 0.98 0.91 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 3ngb s VAL 207 Cb -0.23 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.61 3ngb s VAL 207 CO 0.17 0.19 0.38 -0.89 0.00 0.00 0.00 175.10 174.95 3ngb s THR 208 N -0.74 -0.01 0.66 3.92 2.01 -1.26 -2.38 115.64 117.84 3ngb s THR 208 Ca 0.51 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 3ngb s THR 208 Cb -0.38 -0.54 0.06 0.00 0.01 0.00 0.00 72.50 71.66 3ngb s THR 208 CO 0.46 0.01 0.94 -0.54 -0.69 0.00 0.00 174.62 174.81 3ngb s LYS 209 N 0.57 2.21 0.04 4.92 -0.14 -1.26 -5.07 119.74 121.01 3ngb s LYS 209 Ca -0.03 -0.52 0.04 0.00 -1.36 0.00 0.00 55.97 54.10 3ngb s LYS 209 Cb -0.05 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 3ngb s LYS 209 CO -0.03 -1.13 -0.11 -1.12 -0.76 0.00 0.00 175.35 172.20 3ngb s SER 210 N -4.52 1.29 -0.14 2.83 0.01 -1.26 -4.68 113.70 107.23 3ngb s SER 210 Ca 0.60 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 57.06 3ngb s SER 210 Cb -0.10 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.22 3ngb s SER 210 CO 0.43 -0.07 1.05 0.72 0.41 0.00 0.00 173.24 175.78 3ngb s PHE 211 N -1.06 -0.28 0.43 2.43 -0.12 -1.26 -5.11 117.98 113.00 3ngb s PHE 211 Ca -0.03 0.36 0.05 0.00 -0.05 0.00 0.00 56.93 57.26 3ngb s PHE 211 Cb -0.08 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.73 3ngb s PHE 211 CO 0.01 -0.33 0.02 -0.80 -0.05 0.00 0.00 175.22 174.06 3ngb s ASN 212 N -1.65 3.77 -0.74 1.98 -0.87 -1.26 -3.58 114.94 112.58 3ngb s ASN 212 Ca 0.03 -1.45 -0.26 0.00 -1.57 0.00 0.00 52.86 49.61 3ngb s ASN 212 Cb -0.01 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.25 41.09 3ngb s ASN 212 CO -0.03 -0.58 1.86 -0.60 -2.57 0.00 0.00 177.10 175.17 3ngb s ARG 213 N -3.77 2.65 -0.25 -0.60 3.52 -0.13 -3.72 118.95 116.66 3ngb s ARG 213 Ca 0.27 0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 3ngb s ARG 213 Cb 0.08 -4.66 -0.01 0.00 -1.56 0.00 0.00 34.95 28.79 3ngb s ARG 213 CO 0.14 -2.94 0.22 0.41 -0.81 0.00 0.00 175.30 172.32 3ngb n GLY 214 N 6.16 0.23 2.68 8.12 0.00 -1.26 -5.07 105.19 116.05 3ngb n GLY 214 Ca 0.27 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3ngb n GLY 214 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ngb s GLU 215 N -3.28 0.14 0.00 1.61 2.02 -1.24 -5.28 118.70 112.66 3ngb s GLU 215 Ca 0.09 0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.15 3ngb s GLU 215 Cb -0.01 -1.47 0.02 0.00 0.10 0.00 0.00 34.13 32.77 3ngb s GLU 215 CO 0.18 -0.69 0.59 0.00 0.02 0.00 0.00 175.26 175.36