#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb n VAL 2 N 0.00 0.40 -3.77 5.09 0.31 -1.26 -4.16 118.33 114.94 3ngb n VAL 2 Ca 0.00 -0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3ngb n VAL 2 Cb 0.00 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 30.96 3ngb n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3ngb s GLN 3 N 5.05 0.16 -0.18 5.55 0.74 -0.72 -4.99 119.66 125.27 3ngb s GLN 3 Ca 1.00 0.36 -0.03 0.00 0.05 0.00 0.00 55.36 56.73 3ngb s GLN 3 Cb -0.73 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.30 3ngb s GLN 3 CO 0.50 -0.11 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.57 3ngb s LEU 4 N 0.78 3.04 -0.14 3.68 1.02 -1.26 -1.51 118.68 124.29 3ngb s LEU 4 Ca -0.06 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3ngb s LEU 4 Cb -0.07 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 3ngb s LEU 4 CO -0.04 0.10 -0.15 -0.69 0.02 0.00 0.00 176.35 175.58 3ngb s VAL 5 N 0.79 2.74 0.30 -1.59 1.01 0.83 -4.30 120.40 120.18 3ngb s VAL 5 Ca -0.02 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.29 3ngb s VAL 5 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3ngb s VAL 5 CO 0.02 0.52 0.12 -1.10 0.00 0.00 0.00 175.10 174.66 3ngb s GLN 6 N 0.66 2.48 0.00 2.72 -0.21 -1.26 0.50 119.66 124.55 3ngb s GLN 6 Ca -0.08 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.90 3ngb s GLN 6 Cb -0.16 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.59 3ngb s GLN 6 CO 0.02 0.23 0.00 -1.13 -2.12 0.00 0.00 175.29 172.30 3ngb n SER 7 N -1.10 -0.83 -4.87 5.90 3.41 -0.89 -4.97 113.62 110.27 3ngb n SER 7 Ca -0.05 -0.39 -0.23 0.00 -0.26 0.00 0.00 58.87 57.94 3ngb n SER 7 Cb 0.60 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.61 3ngb n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ngb s GLY 8 N -2.19 1.78 0.54 5.00 0.00 -1.26 -4.72 107.32 106.46 3ngb s GLY 8 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 3ngb s GLY 8 CO 0.00 -0.93 1.03 -0.32 0.00 0.00 0.00 173.10 172.88 3ngb s GLY 9 N -4.54 2.19 0.01 0.20 0.00 -1.26 -4.80 107.32 99.12 3ngb s GLY 9 Ca 0.61 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.71 3ngb s GLY 9 CO 0.42 0.67 -0.06 1.20 0.00 0.00 0.00 173.10 175.33 3ngb s GLN 10 N -3.88 0.45 -0.36 2.90 -0.21 -0.76 -5.00 119.66 112.81 3ngb s GLN 10 Ca 0.63 -0.34 -0.06 0.00 0.02 0.00 0.00 55.36 55.60 3ngb s GLN 10 Cb -0.14 -0.37 0.05 0.00 1.00 0.00 0.00 33.01 33.55 3ngb s GLN 10 CO 0.31 0.09 0.13 -1.64 -2.12 0.00 0.00 175.29 172.07 3ngb s MET 11 N -0.52 2.56 0.35 2.91 -1.94 -1.26 -2.05 119.30 119.34 3ngb s MET 11 Ca -0.01 -1.28 0.07 0.00 -1.71 0.00 0.00 55.69 52.76 3ngb s MET 11 Cb -0.04 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 3ngb s MET 11 CO -0.00 -0.74 0.35 0.15 -0.01 0.00 0.00 175.02 174.76 3ngb s LYS 12 N 1.38 2.79 0.14 2.03 3.01 0.26 -4.99 119.74 124.37 3ngb s LYS 12 Ca -0.00 -1.26 0.09 0.00 -1.01 0.00 0.00 55.97 53.79 3ngb s LYS 12 Cb -0.20 -2.55 -0.04 0.00 -1.01 0.00 0.00 37.83 34.02 3ngb s LYS 12 CO 0.02 0.04 -0.17 0.15 0.51 0.00 0.00 175.35 175.90 3ngb s LYS 13 N -4.06 1.79 0.39 1.68 1.02 -1.26 -2.83 119.74 116.48 3ngb s LYS 13 Ca 0.43 -1.26 -0.24 0.00 0.02 0.00 0.00 55.97 54.92 3ngb s LYS 13 Cb -0.06 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 35.05 3ngb s LYS 13 CO 0.28 0.46 0.81 -2.30 -0.92 0.00 0.00 175.35 173.68 3ngb n PRO 14 N 0.55 0.99 0.00 -1.68 -0.02 -1.26 -1.72 135.00 131.85 3ngb n PRO 14 Ca -0.14 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3ngb n PRO 14 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3ngb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 15 N 1.45 2.62 3.56 -1.23 0.00 -0.86 -4.91 105.19 105.83 3ngb n GLY 15 Ca 0.11 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3ngb n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ngb s GLU 16 N 0.00 -1.28 0.12 1.61 2.02 -0.70 -3.92 118.70 116.55 3ngb s GLU 16 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.07 3ngb s GLU 16 Cb 0.00 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3ngb s GLU 16 CO 0.00 -3.77 -0.13 -1.54 0.02 0.00 0.00 175.26 169.85 3ngb s SER 17 N -3.74 1.89 0.19 -0.19 1.04 -1.26 -1.33 113.70 110.31 3ngb s SER 17 Ca 0.70 -0.85 0.10 0.00 0.48 0.00 0.00 55.95 56.38 3ngb s SER 17 Cb -0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3ngb s SER 17 CO 0.57 -0.20 -0.13 0.00 0.98 0.00 0.00 173.24 174.46 3ngb s MET 18 N -2.89 1.91 -0.04 4.02 0.23 -0.68 -4.95 119.30 116.89 3ngb s MET 18 Ca 0.10 -1.38 -0.02 0.00 -1.03 0.00 0.00 55.69 53.37 3ngb s MET 18 Cb -0.03 -2.05 0.03 0.00 -1.53 0.00 0.00 34.83 31.25 3ngb s MET 18 CO 0.02 0.41 0.07 1.03 -2.03 0.00 0.00 175.02 174.53 3ngb s ARG 19 N -2.88 -0.05 0.04 3.16 0.52 -1.26 -1.97 118.95 116.52 3ngb s ARG 19 Ca 0.24 0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.87 3ngb s ARG 19 Cb -0.08 -0.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 3ngb s ARG 19 CO 0.14 -0.29 -0.14 0.96 0.02 0.00 0.00 175.30 175.99 3ngb s ILE 20 N 1.91 1.14 0.19 1.52 -4.36 -0.72 -4.98 121.20 115.90 3ngb s ILE 20 Ca 0.01 -1.04 0.08 0.00 -0.26 0.00 0.00 60.65 59.44 3ngb s ILE 20 Cb -0.12 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 3ngb s ILE 20 CO -0.04 -0.01 0.00 -0.94 0.24 0.00 0.00 174.94 174.20 3ngb s SER 21 N -1.19 4.75 -0.35 4.36 1.04 -1.26 -1.34 113.70 119.70 3ngb s SER 21 Ca 0.02 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 3ngb s SER 21 Cb -0.08 -0.99 0.12 0.00 0.10 0.00 0.00 66.02 65.17 3ngb s SER 21 CO 0.01 0.07 0.17 0.00 0.98 0.00 0.00 173.24 174.48 3ngb s ARG 23 N 1.28 4.36 -0.02 0.00 3.52 0.18 -1.57 118.95 126.71 3ngb s ARG 23 Ca 0.14 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.74 3ngb s ARG 23 Cb -0.20 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3ngb s ARG 23 CO -0.14 -0.17 -0.00 0.00 -0.81 0.00 0.00 175.30 174.17 3ngb s ALA 24 N 1.61 3.26 0.15 6.12 0.00 -0.12 -0.12 121.76 132.65 3ngb s ALA 24 Ca 0.39 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 3ngb s ALA 24 Cb -0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3ngb s ALA 24 CO 0.16 0.63 0.12 -1.54 0.00 0.00 0.00 175.76 175.13 3ngb s SER 25 N -1.41 0.23 0.00 0.00 1.04 -0.57 -4.84 113.70 108.14 3ngb s SER 25 Ca 0.18 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3ngb s SER 25 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3ngb s SER 25 CO 0.08 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3ngb n GLY 26 N -0.14 0.73 3.84 7.32 0.00 -1.26 -1.75 105.19 113.93 3ngb n GLY 26 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 3ngb n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ngb s TYR 27 N -2.71 -0.09 -0.31 1.61 1.13 -1.26 -4.32 117.35 111.40 3ngb s TYR 27 Ca 0.00 -0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 54.95 3ngb s TYR 27 Cb 0.00 0.74 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 3ngb s TYR 27 CO 0.00 -1.30 1.30 -1.21 -2.51 0.00 0.00 175.55 171.83 3ngb s GLU 28 N -3.38 3.90 0.21 -3.49 0.41 -1.26 -4.93 118.70 110.16 3ngb s GLU 28 Ca 0.13 1.22 -0.10 0.00 -0.41 0.00 0.00 54.97 55.80 3ngb s GLU 28 Cb -0.05 -3.88 0.20 0.00 -1.78 0.00 0.00 34.13 28.61 3ngb s GLU 28 CO 0.08 -1.14 1.84 0.35 -0.49 0.00 0.00 175.26 175.90 3ngb h PHE 29 N 9.34 0.79 0.00 1.61 3.57 -1.93 -2.35 116.94 127.97 3ngb h PHE 29 Ca -0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3ngb h PHE 29 Cb 1.10 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3ngb h PHE 29 CO 0.89 0.44 0.00 0.44 -2.23 0.00 0.00 178.31 177.85 3ngb n ILE 30 N -4.69 0.21 -0.08 1.41 -5.35 -1.26 -3.61 119.36 105.99 3ngb n ILE 30 Ca 0.08 0.05 -0.16 0.00 -0.27 0.00 0.00 62.75 62.45 3ngb n ILE 30 Cb 0.11 -0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 37.21 3ngb n ILE 30 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ngb h ASP 31 N 0.00 0.00 -3.14 7.28 3.32 -1.83 -3.39 116.42 118.66 3ngb h ASP 31 Ca 0.00 -0.63 -0.54 0.00 0.02 0.00 0.00 57.03 55.88 3ngb h ASP 31 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ngb h ASP 31 CO 0.00 1.17 -0.22 0.00 -1.72 0.00 0.00 179.24 178.47 3ngb s THR 33 N -1.90 5.14 0.07 0.00 -4.23 -1.26 -4.46 115.64 108.99 3ngb s THR 33 Ca 0.42 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.47 3ngb s THR 33 Cb -0.11 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 3ngb s THR 33 CO 0.27 0.41 0.08 -0.76 -0.54 0.00 0.00 174.62 174.09 3ngb s LEU 34 N -1.57 3.83 0.18 4.79 1.02 -0.14 -4.49 118.68 122.30 3ngb s LEU 34 Ca 0.28 0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.52 3ngb s LEU 34 Cb -0.14 -2.48 -0.04 0.00 0.02 0.00 0.00 46.19 43.54 3ngb s LEU 34 CO 0.15 0.18 -0.15 0.20 0.02 0.00 0.00 176.35 176.75 3ngb s ASN 35 N -2.34 2.51 -0.16 2.29 0.01 -0.42 -0.11 114.94 116.73 3ngb s ASN 35 Ca 0.29 -0.95 0.01 0.00 -0.71 0.00 0.00 52.86 51.50 3ngb s ASN 35 Cb -0.12 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.43 3ngb s ASN 35 CO 0.22 -0.13 -0.18 0.26 -1.51 0.00 0.00 177.10 175.76 3ngb s TRP 36 N -2.62 2.50 -0.05 2.20 0.52 -0.81 -1.15 118.94 119.53 3ngb s TRP 36 Ca 0.19 -1.43 0.05 0.00 0.02 0.00 0.00 56.10 54.93 3ngb s TRP 36 Cb -0.03 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 3ngb s TRP 36 CO 0.06 -0.72 -0.22 0.42 0.02 0.00 0.00 176.95 176.51 3ngb s ILE 37 N 1.31 1.80 -0.07 2.03 -1.09 -0.50 -0.35 121.20 124.33 3ngb s ILE 37 Ca 0.03 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.57 3ngb s ILE 37 Cb -0.13 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.21 3ngb s ILE 37 CO -0.11 0.51 -0.21 0.00 -1.23 0.00 0.00 174.94 173.90 3ngb s ARG 38 N -0.11 2.75 -0.33 2.79 1.70 -0.41 0.15 118.95 125.48 3ngb s ARG 38 Ca -0.03 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.42 3ngb s ARG 38 Cb -0.13 -2.31 0.08 0.00 -0.57 0.00 0.00 34.95 32.03 3ngb s ARG 38 CO 0.03 0.38 0.05 -0.51 -1.08 0.00 0.00 175.30 174.17 3ngb s LEU 39 N -0.13 4.48 -0.07 -1.89 1.43 -0.65 -1.50 118.68 120.35 3ngb s LEU 39 Ca -0.04 -1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 51.12 3ngb s LEU 39 Cb -0.14 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3ngb s LEU 39 CO 0.04 -0.36 0.36 0.00 0.23 0.00 0.00 176.35 176.62 3ngb s ALA 40 N 1.07 3.65 0.14 4.21 0.00 -1.26 -2.56 121.76 127.01 3ngb s ALA 40 Ca 0.03 -0.31 -0.35 0.00 0.00 0.00 0.00 51.96 51.33 3ngb s ALA 40 Cb -0.20 -2.39 -0.15 0.00 0.00 0.00 0.00 23.12 20.38 3ngb s ALA 40 CO -0.05 0.32 1.47 -2.30 0.00 0.00 0.00 175.76 175.21 3ngb n PRO 41 N 2.56 1.75 -1.51 0.00 -0.02 -1.26 -2.04 135.00 134.49 3ngb n PRO 41 Ca -0.13 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3ngb n PRO 41 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3ngb n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 42 N 3.00 0.40 3.19 -1.23 0.00 -1.26 -5.05 105.19 104.24 3ngb n GLY 42 Ca 0.17 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3ngb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb s LYS 43 N -3.03 0.85 0.23 1.61 1.02 -0.86 -5.14 119.74 114.42 3ngb s LYS 43 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 3ngb s LYS 43 Cb 0.00 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.51 3ngb s LYS 43 CO 0.00 -0.25 1.32 1.03 -0.92 0.00 0.00 175.35 176.53 3ngb s ARG 44 N -3.93 4.37 0.26 1.68 0.52 -1.26 -4.74 118.95 115.86 3ngb s ARG 44 Ca 0.11 2.11 -0.28 0.00 -0.52 0.00 0.00 55.73 57.15 3ngb s ARG 44 Cb 0.06 -3.16 -0.15 0.00 0.52 0.00 0.00 34.95 32.22 3ngb s ARG 44 CO -0.07 -0.25 0.87 -2.30 0.02 0.00 0.00 175.30 173.57 3ngb n PRO 45 N 2.20 0.92 -4.56 3.54 -0.02 -1.26 -4.78 135.00 131.04 3ngb n PRO 45 Ca 0.05 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 3ngb n PRO 45 Cb 0.42 -1.59 -0.17 0.00 -0.02 0.00 0.00 33.50 32.15 3ngb n PRO 45 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ngb s GLU 46 N -1.32 2.69 -0.28 -0.52 2.12 -0.56 -4.98 118.70 115.84 3ngb s GLU 46 Ca 0.61 -0.73 -0.26 0.00 0.36 0.00 0.00 54.97 54.95 3ngb s GLU 46 Cb -0.78 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 31.39 3ngb s GLU 46 CO 0.58 -0.04 0.91 -0.46 -0.54 0.00 0.00 175.26 175.71 3ngb s TRP 47 N 0.91 3.23 -0.19 5.30 -0.00 -1.26 -1.28 118.94 125.65 3ngb s TRP 47 Ca -0.06 1.08 0.21 0.00 -0.00 0.00 0.00 56.10 57.34 3ngb s TRP 47 Cb -0.15 -3.31 -0.06 0.00 -0.00 0.00 0.00 33.47 29.95 3ngb s TRP 47 CO -0.02 -0.57 0.94 -1.33 -0.00 0.00 0.00 176.95 175.97 3ngb n MET 48 N 6.35 0.61 0.00 5.86 2.81 0.53 -4.65 117.12 128.64 3ngb n MET 48 Ca 0.08 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3ngb n MET 48 Cb 0.47 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3ngb n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ngb n GLY 49 N 1.24 3.42 3.56 3.03 0.00 -1.25 -1.91 105.19 113.27 3ngb n GLY 49 Ca -0.03 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 3ngb n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ngb s TRP 50 N -2.00 2.45 -0.04 1.61 1.48 -0.86 -1.93 118.94 119.65 3ngb s TRP 50 Ca 0.00 -0.40 0.01 0.00 -1.06 0.00 0.00 56.10 54.65 3ngb s TRP 50 Cb 0.00 -1.28 0.02 0.00 -1.16 0.00 0.00 33.47 31.05 3ngb s TRP 50 CO 0.00 0.60 -0.06 -1.17 -4.06 0.00 0.00 176.95 172.26 3ngb s LEU 51 N -3.62 1.48 -0.43 -4.66 2.96 0.85 -2.03 118.68 113.23 3ngb s LEU 51 Ca 0.32 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 3ngb s LEU 51 Cb -0.01 -0.48 0.04 0.00 0.50 0.00 0.00 46.19 46.23 3ngb s LEU 51 CO 0.17 -0.02 0.32 -0.54 -1.32 0.00 0.00 176.35 174.97 3ngb s LYS 52 N 0.70 2.95 0.50 1.98 1.02 0.02 -0.97 119.74 125.94 3ngb s LYS 52 Ca -0.10 -1.15 0.30 0.00 0.02 0.00 0.00 55.97 55.04 3ngb s LYS 52 Cb -0.13 -4.00 1.41 0.00 -0.52 0.00 0.00 37.83 34.59 3ngb s LYS 52 CO 0.01 -0.85 1.82 -1.35 -0.92 0.00 0.00 175.35 174.06 3ngb h PRO 52 N 8.65 0.11 -6.43 -1.68 0.11 -1.83 -2.08 132.00 128.85 3ngb h PRO 52 Ca -0.27 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.26 3ngb h PRO 52 Cb 1.11 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 3ngb h PRO 52 CO 0.77 0.07 0.80 0.50 -0.21 0.00 0.00 178.00 179.94 3ngb s ARG 53 N -5.11 3.57 0.00 1.05 3.52 -1.26 -3.61 118.95 117.12 3ngb s ARG 53 Ca -0.06 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 3ngb s ARG 53 Cb 0.23 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 3ngb s ARG 53 CO 0.79 -1.43 0.00 0.41 -0.81 0.00 0.00 175.30 174.27 3ngb n GLY 54 N 4.96 3.22 1.78 8.12 0.00 -1.26 -4.15 105.19 117.86 3ngb n GLY 54 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ngb n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 55 N -1.88 0.58 3.51 -0.02 0.00 -0.79 -4.99 105.19 101.61 3ngb n GLY 55 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3ngb n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ALA 56 N 0.60 -1.55 -2.15 4.61 0.00 -1.15 -4.65 120.51 116.22 3ngb n ALA 56 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 3ngb n ALA 56 Cb 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 3ngb n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ngb s VAL 57 N -0.82 0.41 -0.29 0.00 0.11 -1.26 -0.80 120.40 117.75 3ngb s VAL 57 Ca 0.65 -1.90 0.02 0.00 -2.93 0.00 0.00 61.98 57.82 3ngb s VAL 57 Cb -0.85 -1.80 0.16 0.00 -1.53 0.00 0.00 36.38 32.36 3ngb s VAL 57 CO 0.57 -0.74 0.42 0.21 -3.33 0.00 0.00 175.10 172.22 3ngb s ASN 58 N -3.03 0.23 0.10 3.54 3.84 -0.86 -5.01 114.94 113.76 3ngb s ASN 58 Ca 0.15 -0.27 -0.12 0.00 0.21 0.00 0.00 52.86 52.83 3ngb s ASN 58 Cb 0.07 1.17 -0.06 0.00 -0.55 0.00 0.00 41.25 41.88 3ngb s ASN 58 CO -0.03 -0.34 0.47 -0.31 -2.79 0.00 0.00 177.10 174.09 3ngb s TYR 59 N 2.56 3.61 0.29 0.43 2.02 -1.26 -2.02 117.35 122.99 3ngb s TYR 59 Ca 0.10 0.94 -0.29 0.00 -0.37 0.00 0.00 57.07 57.45 3ngb s TYR 59 Cb -0.13 -2.27 -0.10 0.00 -0.40 0.00 0.00 41.96 39.07 3ngb s TYR 59 CO -0.28 0.49 1.27 0.00 -1.57 0.00 0.00 175.55 175.46 3ngb s ALA 60 N -1.39 3.49 0.18 3.71 0.00 -0.80 -4.81 121.76 122.14 3ngb s ALA 60 Ca 0.34 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 3ngb s ALA 60 Cb -0.15 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.61 3ngb s ALA 60 CO 0.18 -0.52 1.56 0.00 0.00 0.00 0.00 175.76 176.99 3ngb h ARG 61 N 3.98 -0.14 0.00 0.00 3.08 -1.93 0.91 114.38 120.28 3ngb h ARG 61 Ca -0.47 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ngb h ARG 61 Cb 1.22 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3ngb h ARG 61 CO 0.69 -0.09 0.14 -1.35 -1.07 0.00 0.00 179.97 178.29 3ngb h PRO 62 N -0.14 0.00 -0.01 0.04 0.11 -1.98 -1.22 132.00 128.81 3ngb h PRO 62 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3ngb h PRO 62 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3ngb h PRO 62 CO -0.78 0.00 -0.12 1.28 -0.21 0.00 0.00 178.00 178.16 3ngb n LEU 63 N -2.42 1.14 -4.67 2.35 4.77 0.24 -4.98 117.00 113.42 3ngb n LEU 63 Ca -0.02 -0.81 -0.43 0.00 -0.03 0.00 0.00 56.01 54.72 3ngb n LEU 63 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3ngb n LEU 63 CO 0.11 0.23 1.55 0.00 -1.33 0.00 0.00 177.39 177.95 3ngb n GLN 64 N -0.18 2.73 0.00 3.23 6.02 -0.46 -1.65 117.38 127.07 3ngb n GLN 64 Ca 0.03 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 3ngb n GLN 64 Cb 0.16 -2.92 0.00 0.00 1.02 0.00 0.00 30.24 28.50 3ngb n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ngb n GLY 65 N 4.42 1.94 0.01 1.08 0.00 -1.26 -4.85 105.19 106.53 3ngb n GLY 65 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3ngb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb n ARG 66 N -0.13 0.77 -4.17 1.61 1.74 -0.66 -4.95 116.66 110.87 3ngb n ARG 66 Ca 0.00 -0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 3ngb n ARG 66 Cb 0.00 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 3ngb n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ngb s VAL 67 N -3.04 4.20 -0.08 1.55 0.11 -1.00 -0.78 120.40 121.36 3ngb s VAL 67 Ca -0.03 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 3ngb s VAL 67 Cb 0.12 -2.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.06 3ngb s VAL 67 CO 0.72 0.23 0.18 -0.89 -3.33 0.00 0.00 175.10 172.01 3ngb s THR 68 N -1.23 -0.13 -0.16 5.04 2.01 0.45 -4.97 115.64 116.65 3ngb s THR 68 Ca 0.24 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3ngb s THR 68 Cb -0.12 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3ngb s THR 68 CO 0.16 0.09 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.97 3ngb s MET 69 N 1.55 2.57 0.45 4.92 -1.94 -1.26 -0.49 119.30 125.10 3ngb s MET 69 Ca -0.06 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3ngb s MET 69 Cb -0.11 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 3ngb s MET 69 CO -0.07 -0.23 0.12 0.95 -0.01 0.00 0.00 175.02 175.78 3ngb s THR 70 N 1.40 0.59 0.05 2.05 -4.23 -1.08 -4.98 115.64 109.44 3ngb s THR 70 Ca 0.05 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.29 3ngb s THR 70 Cb -0.13 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.57 3ngb s THR 70 CO -0.12 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.66 3ngb s ARG 71 N -3.69 1.09 -0.35 3.99 3.03 -1.26 -0.06 118.95 121.69 3ngb s ARG 71 Ca 0.17 -0.19 -0.01 0.00 2.03 0.00 0.00 55.73 57.74 3ngb s ARG 71 Cb 0.01 0.51 0.09 0.00 -1.03 0.00 0.00 34.95 34.52 3ngb s ARG 71 CO 0.12 -0.43 0.10 0.34 -1.13 0.00 0.00 175.30 174.29 3ngb s ASP 72 N -2.13 5.01 0.19 -2.89 3.68 0.71 -5.00 116.67 116.23 3ngb s ASP 72 Ca -0.02 -1.79 -0.12 0.00 2.13 0.00 0.00 52.55 52.75 3ngb s ASP 72 Cb -0.01 -1.74 0.15 0.00 -1.45 0.00 0.00 42.92 39.88 3ngb s ASP 72 CO -0.05 -0.41 1.80 0.58 0.13 0.00 0.00 175.17 177.23 3ngb h VAL 73 N 6.46 0.99 -0.45 1.11 2.07 -1.90 -0.63 116.25 123.90 3ngb h VAL 73 Ca -0.14 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3ngb h VAL 73 Cb 1.05 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ngb h VAL 73 CO 0.60 0.11 -0.10 0.22 0.02 0.00 0.00 177.57 178.42 3ngb h TYR 74 N 0.58 0.88 0.00 1.57 5.03 -1.96 -2.43 116.97 120.64 3ngb h TYR 74 Ca 0.24 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.39 3ngb h TYR 74 Cb 0.11 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.17 3ngb h TYR 74 CO -0.09 0.86 0.00 0.45 -1.32 0.00 0.00 178.16 178.06 3ngb n SER 75 N -4.17 0.00 -2.95 -2.11 2.88 -0.82 -4.90 113.62 101.55 3ngb n SER 75 Ca 0.02 -0.17 -0.20 0.00 -1.33 0.00 0.00 58.87 57.19 3ngb n SER 75 Cb 0.36 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.55 3ngb n SER 75 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3ngb n ASP 76 N -1.28 -4.52 -4.19 -3.46 8.00 -0.31 -4.83 116.55 105.97 3ngb n ASP 76 Ca 0.15 -0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.18 3ngb n ASP 76 Cb 0.24 -3.74 -0.17 0.00 -0.02 0.00 0.00 41.12 37.43 3ngb n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ngb s THR 77 N -2.91 1.77 0.21 -3.53 2.01 -1.02 -0.95 115.64 111.21 3ngb s THR 77 Ca 0.24 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.43 3ngb s THR 77 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3ngb s THR 77 CO 0.29 0.50 0.08 0.00 -0.69 0.00 0.00 174.62 174.79 3ngb s ALA 78 N 0.16 3.37 0.08 7.40 0.00 -0.61 -0.21 121.76 131.95 3ngb s ALA 78 Ca -0.10 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.50 3ngb s ALA 78 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3ngb s ALA 78 CO 0.05 0.39 -0.12 -0.06 0.00 0.00 0.00 175.76 176.02 3ngb s PHE 79 N -1.94 1.10 -0.06 0.00 0.40 0.91 -0.71 117.98 117.68 3ngb s PHE 79 Ca 0.30 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3ngb s PHE 79 Cb -0.09 -0.61 0.03 0.00 0.51 0.00 0.00 43.02 42.86 3ngb s PHE 79 CO 0.21 0.03 0.01 -1.17 0.70 0.00 0.00 175.22 175.00 3ngb s LEU 80 N -2.10 0.58 -0.11 -0.37 2.96 -0.45 -2.64 118.68 116.55 3ngb s LEU 80 Ca 0.01 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3ngb s LEU 80 Cb -0.06 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.25 3ngb s LEU 80 CO 0.01 -0.19 -0.22 -0.70 -1.32 0.00 0.00 176.35 173.93 3ngb s GLU 81 N 1.90 3.08 -0.21 1.98 2.12 0.36 -1.75 118.70 126.16 3ngb s GLU 81 Ca 0.03 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.51 3ngb s GLU 81 Cb -0.12 -2.37 0.05 0.00 0.26 0.00 0.00 34.13 31.95 3ngb s GLU 81 CO -0.04 0.14 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.59 3ngb s LEU 82 N 0.45 2.26 0.60 2.70 2.96 -0.83 -0.41 118.68 126.41 3ngb s LEU 82 Ca -0.16 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 52.75 3ngb s LEU 82 Cb -0.17 -1.11 0.05 0.00 0.50 0.00 0.00 46.19 45.46 3ngb s LEU 82 CO 0.06 -0.21 0.84 0.00 -1.32 0.00 0.00 176.35 175.72 3ngb s ARG 82 N 1.47 2.34 -1.07 1.98 1.70 0.04 -1.69 118.95 123.72 3ngb s ARG 82 Ca -0.04 -0.81 -0.22 0.00 -0.47 0.00 0.00 55.73 54.19 3ngb s ARG 82 Cb -0.18 -2.43 0.03 0.00 -0.57 0.00 0.00 34.95 31.80 3ngb s ARG 82 CO -0.07 -0.90 0.66 -1.13 -1.08 0.00 0.00 175.30 172.77 3ngb n SER 82 N -2.49 -4.44 -4.74 -2.89 3.41 -1.18 -4.88 113.62 96.41 3ngb n SER 82 Ca 0.09 -1.17 -0.33 0.00 -0.26 0.00 0.00 58.87 57.20 3ngb n SER 82 Cb 0.60 -1.71 0.08 0.00 -0.26 0.00 0.00 64.21 62.92 3ngb n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ngb s LEU 82 N -6.53 3.26 0.23 1.04 1.43 -0.44 -4.72 118.68 112.95 3ngb s LEU 82 Ca 0.31 2.15 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 3ngb s LEU 82 Cb -0.17 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3ngb s LEU 82 CO 0.94 -2.09 0.09 0.42 0.23 0.00 0.00 176.35 175.94 3ngb s THR 83 N -2.28 0.44 0.45 5.49 -4.23 -1.26 -2.04 115.64 112.20 3ngb s THR 83 Ca 0.69 -1.99 0.37 0.00 -1.18 0.00 0.00 61.69 59.58 3ngb s THR 83 Cb -0.24 -2.50 0.39 0.00 1.34 0.00 0.00 72.50 71.49 3ngb s THR 83 CO 0.46 -0.10 2.19 1.62 -0.54 0.00 0.00 174.62 178.25 3ngb h VAL 84 N 2.51 0.18 0.00 2.29 3.04 -1.96 -1.11 116.25 121.19 3ngb h VAL 84 Ca -0.37 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3ngb h VAL 84 Cb 1.24 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3ngb h VAL 84 CO 0.59 0.03 0.00 0.44 -1.01 0.00 0.00 177.57 177.62 3ngb h ASP 85 N 0.00 0.00 0.00 3.17 3.32 -1.95 -3.02 116.42 117.93 3ngb h ASP 85 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ngb h ASP 85 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ngb h ASP 85 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3ngb n ASP 86 N -2.85 0.00 -4.64 6.45 8.00 -0.42 -4.78 116.55 118.30 3ngb n ASP 86 Ca 0.04 -1.45 -0.43 0.00 0.71 0.00 0.00 54.79 53.66 3ngb n ASP 86 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 3ngb n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ngb s THR 87 N -2.00 3.79 0.13 -3.53 2.01 -1.14 -4.87 115.64 110.02 3ngb s THR 87 Ca 0.24 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 3ngb s THR 87 Cb 0.11 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.98 3ngb s THR 87 CO 0.19 -0.22 0.89 0.00 -0.69 0.00 0.00 174.62 174.79 3ngb n ALA 88 N 7.75 -2.36 -2.80 7.40 0.00 -0.94 -4.63 120.51 124.93 3ngb n ALA 88 Ca 0.17 -0.83 -0.38 0.00 0.00 0.00 0.00 53.44 52.40 3ngb n ALA 88 Cb 0.45 0.42 -0.12 0.00 0.00 0.00 0.00 19.45 20.20 3ngb n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ngb s VAL 89 N -2.13 4.80 -0.15 0.00 1.01 -1.06 -0.89 120.40 121.98 3ngb s VAL 89 Ca 0.20 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3ngb s VAL 89 Cb -0.02 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3ngb s VAL 89 CO 0.04 0.17 0.44 -0.31 0.00 0.00 0.00 175.10 175.43 3ngb s TYR 90 N 1.66 3.46 0.21 5.22 1.51 -0.96 -1.63 117.35 126.83 3ngb s TYR 90 Ca 0.06 0.78 0.11 0.00 -1.01 0.00 0.00 57.07 57.01 3ngb s TYR 90 Cb -0.16 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 3ngb s TYR 90 CO 0.07 0.12 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.39 3ngb s PHE 91 N 0.82 2.39 -0.05 2.71 0.08 0.12 -1.05 117.98 123.01 3ngb s PHE 91 Ca 0.23 -0.32 0.05 0.00 0.12 0.00 0.00 56.93 57.01 3ngb s PHE 91 Cb -0.15 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3ngb s PHE 91 CO 0.09 0.56 -0.19 0.00 -0.10 0.00 0.00 175.22 175.57 3ngb s THR 93 N -0.51 0.82 0.01 0.00 -4.23 -0.30 -1.53 115.64 109.90 3ngb s THR 93 Ca 0.07 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3ngb s THR 93 Cb -0.11 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 3ngb s THR 93 CO 0.01 -0.50 -0.07 -0.60 -0.54 0.00 0.00 174.62 172.93 3ngb s ARG 94 N -2.41 0.51 1.00 3.99 3.52 -0.60 -1.30 118.95 123.67 3ngb s ARG 94 Ca 0.01 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 3ngb s ARG 94 Cb -0.05 -0.45 0.20 0.00 -1.56 0.00 0.00 34.95 33.08 3ngb s ARG 94 CO -0.00 0.12 1.10 0.20 -0.81 0.00 0.00 175.30 175.90 3ngb s GLY 95 N -0.46 1.63 0.21 8.12 0.00 -1.22 -2.72 107.32 112.87 3ngb s GLY 95 Ca -0.00 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 3ngb s GLY 95 CO -0.00 0.83 1.83 1.70 0.00 0.00 0.00 173.10 177.46 3ngb h LYS 96 N -2.13 0.77 -4.51 2.90 3.64 -0.80 -3.42 116.57 113.02 3ngb h LYS 96 Ca -0.50 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 58.64 3ngb h LYS 96 Cb 1.29 -0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.78 3ngb h LYS 96 CO 0.45 0.51 -0.69 0.54 -2.27 0.00 0.00 179.45 177.99 3ngb s ASN 97 N -5.68 0.91 0.21 4.20 4.22 -1.26 -5.00 114.94 112.54 3ngb s ASN 97 Ca -0.13 -0.96 0.17 0.00 -2.14 0.00 0.00 52.86 49.81 3ngb s ASN 97 Cb 0.16 0.12 0.85 0.00 1.28 0.00 0.00 41.25 43.66 3ngb s ASN 97 CO 0.77 -0.48 1.53 0.00 -2.04 0.00 0.00 177.10 176.87 3ngb h ASP 99 N 0.00 0.00 -3.26 0.00 3.45 -1.96 -3.44 116.42 111.22 3ngb h ASP 99 Ca 0.00 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 56.99 3ngb h ASP 99 Cb 0.12 0.00 -0.37 0.00 -0.56 0.00 0.00 39.33 38.52 3ngb h ASP 99 CO 0.00 0.86 -0.78 -0.47 -1.57 0.00 0.00 179.24 177.27 3ngb s TYR 100 N -3.02 1.03 0.17 4.55 6.14 -0.93 -5.05 117.35 120.24 3ngb s TYR 100 Ca 0.00 -0.41 -0.02 0.00 0.64 0.00 0.00 57.07 57.28 3ngb s TYR 100 Cb 0.11 -0.96 0.04 0.00 0.42 0.00 0.00 41.96 41.57 3ngb s TYR 100 CO 0.80 -0.38 1.42 -0.97 0.64 0.00 0.00 175.55 177.06 3ngb h ASN 100 N 8.05 0.52 1.13 4.32 -1.24 -1.84 -3.39 115.58 123.12 3ngb h ASN 100 Ca -0.26 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.41 3ngb h ASN 100 Cb 1.13 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.03 3ngb h ASN 100 CO 0.35 1.08 -0.69 -0.50 -1.29 0.00 0.00 177.43 176.38 3ngb h TRP 100 N 0.30 0.00 -0.54 0.67 4.06 -1.96 -3.23 115.95 115.24 3ngb h TRP 100 Ca -0.03 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.43 3ngb h TRP 100 Cb 1.31 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.43 3ngb h TRP 100 CO 0.05 0.00 1.62 -0.25 -3.56 0.00 0.00 178.44 176.30 3ngb n ASP 100 N -2.55 3.68 -4.56 -3.49 8.00 -1.26 -4.90 116.55 111.47 3ngb n ASP 100 Ca 0.02 -2.78 -0.29 0.00 0.71 0.00 0.00 54.79 52.45 3ngb n ASP 100 Cb 0.51 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.12 39.87 3ngb n ASP 100 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ngb s PHE 100 N 8.05 1.84 -0.02 1.24 0.08 -1.26 -0.24 117.98 127.67 3ngb s PHE 100 Ca 0.62 0.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.20 3ngb s PHE 100 Cb 0.03 -4.09 -0.27 0.00 -0.57 0.00 0.00 43.02 38.12 3ngb s PHE 100 CO 0.11 -1.81 0.74 1.49 -0.10 0.00 0.00 175.22 175.65 3ngb h GLU 101 N 11.56 0.23 -4.83 0.44 4.81 -1.77 -3.46 114.58 121.57 3ngb h GLU 101 Ca 0.07 -0.40 -0.66 0.00 -0.13 0.00 0.00 59.36 58.23 3ngb h GLU 101 Cb 1.02 0.15 -0.21 0.00 0.63 0.00 0.00 28.75 30.34 3ngb h GLU 101 CO 1.22 1.08 -0.55 -1.01 -0.73 0.00 0.00 179.01 179.02 3ngb s HIS 102 N -2.60 3.18 0.09 0.92 3.76 -1.10 -5.02 115.29 114.51 3ngb s HIS 102 Ca -0.11 -0.33 0.10 0.00 -0.15 0.00 0.00 55.06 54.57 3ngb s HIS 102 Cb 0.07 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 3ngb s HIS 102 CO 0.84 -0.35 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.55 3ngb s TRP 103 N 1.66 2.38 0.86 1.40 0.52 -1.26 -1.55 118.94 122.95 3ngb s TRP 103 Ca 0.06 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 3ngb s TRP 103 Cb -0.16 -1.34 0.11 0.00 -1.15 0.00 0.00 33.47 30.92 3ngb s TRP 103 CO 0.07 0.26 1.10 0.20 0.02 0.00 0.00 176.95 178.61 3ngb s GLY 104 N -1.70 1.61 0.17 0.98 0.00 -0.58 -4.59 107.32 103.20 3ngb s GLY 104 Ca 0.14 -0.26 0.22 0.00 0.00 0.00 0.00 44.72 44.82 3ngb s GLY 104 CO 0.05 0.22 1.67 0.54 0.00 0.00 0.00 173.10 175.59 3ngb n ARG 105 N -3.66 0.14 0.00 2.90 1.74 -1.26 -4.78 116.66 111.75 3ngb n ARG 105 Ca 0.07 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3ngb n ARG 105 Cb 0.57 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3ngb n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ngb n GLY 106 N 0.27 -0.44 2.99 -0.13 0.00 -1.26 -5.00 105.19 101.62 3ngb n GLY 106 Ca 0.03 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3ngb n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ngb s THR 107 N -2.65 1.82 0.27 2.61 -4.23 -0.21 -4.92 115.64 108.33 3ngb s THR 107 Ca 0.00 -1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3ngb s THR 107 Cb 0.00 -2.04 -0.11 0.00 1.34 0.00 0.00 72.50 71.68 3ngb s THR 107 CO 0.00 -0.11 1.62 -2.84 -0.54 0.00 0.00 174.62 172.74 3ngb s PRO 108 N 1.25 4.13 -0.26 3.99 0.02 -1.26 -2.27 135.00 140.59 3ngb s PRO 108 Ca -0.06 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 3ngb s PRO 108 Cb -0.19 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.37 3ngb s PRO 108 CO -0.06 -0.65 0.03 0.08 -0.33 0.00 0.00 177.00 176.06 3ngb s VAL 109 N 0.26 1.16 -0.24 3.83 1.01 -0.07 -1.82 120.40 124.53 3ngb s VAL 109 Ca 0.66 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 3ngb s VAL 109 Cb -0.48 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3ngb s VAL 109 CO 0.44 -0.36 0.20 -0.63 0.00 0.00 0.00 175.10 174.75 3ngb s ILE 110 N 1.53 5.33 -0.76 2.22 1.01 -0.87 -2.22 121.20 127.44 3ngb s ILE 110 Ca 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 3ngb s ILE 110 Cb -0.18 -3.53 0.19 0.00 0.01 0.00 0.00 42.46 38.95 3ngb s ILE 110 CO -0.13 0.33 0.60 -0.69 0.00 0.00 0.00 174.94 175.05 3ngb s VAL 111 N 1.13 3.97 -0.01 2.92 1.01 -1.26 -0.57 120.40 127.58 3ngb s VAL 111 Ca 0.09 -3.47 -0.30 0.00 0.00 0.00 0.00 61.98 58.30 3ngb s VAL 111 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3ngb s VAL 111 CO 0.05 -0.99 1.15 -0.94 0.00 0.00 0.00 175.10 174.38 3ngb s SER 112 N 0.15 7.13 -0.21 3.32 1.04 -1.13 -4.25 113.70 119.75 3ngb s SER 112 Ca 0.22 1.84 -0.09 0.00 0.48 0.00 0.00 55.95 58.40 3ngb s SER 112 Cb -0.13 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 3ngb s SER 112 CO -0.08 -0.48 0.12 -0.55 0.98 0.00 0.00 173.24 173.22 3ngb s SER 113 N 1.23 5.97 0.51 7.02 0.15 -1.26 -4.28 113.70 123.04 3ngb s SER 113 Ca 0.56 0.13 0.20 0.00 0.70 0.00 0.00 55.95 57.54 3ngb s SER 113 Cb -0.25 -2.05 1.32 0.00 -1.71 0.00 0.00 66.02 63.32 3ngb s SER 113 CO 0.25 0.14 2.10 -0.65 1.20 0.00 0.00 173.24 176.28 3ngb h PRO 114 N 6.99 0.00 -6.47 5.44 0.11 -1.99 -3.43 132.00 132.65 3ngb h PRO 114 Ca -0.39 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.19 3ngb h PRO 114 Cb 1.16 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.29 3ngb h PRO 114 CO 0.71 0.08 0.81 0.45 -0.21 0.00 0.00 178.00 179.84 3ngb s SER 115 N -6.71 6.79 0.32 -2.05 0.15 -1.26 -5.01 113.70 105.93 3ngb s SER 115 Ca -0.04 2.29 0.04 0.00 0.70 0.00 0.00 55.95 58.94 3ngb s SER 115 Cb 0.16 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3ngb s SER 115 CO 0.64 -0.72 0.14 0.35 1.20 0.00 0.00 173.24 174.85 3ngb n THR 116 N 4.32 0.00 -3.67 6.45 -2.24 -1.26 -4.63 114.28 113.25 3ngb n THR 116 Ca 0.13 -1.97 -0.15 0.00 -2.27 0.00 0.00 64.05 59.80 3ngb n THR 116 Cb 0.42 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 3ngb n THR 116 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ngb s LYS 117 N -3.25 0.75 0.09 -0.78 2.20 -0.46 -4.96 119.74 113.34 3ngb s LYS 117 Ca 0.20 0.31 -0.28 0.00 -0.36 0.00 0.00 55.97 55.85 3ngb s LYS 117 Cb 0.01 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.62 3ngb s LYS 117 CO 0.14 -0.18 0.86 0.20 -0.36 0.00 0.00 175.35 176.02 3ngb s GLY 118 N -0.61 2.91 0.37 5.54 0.00 -1.26 -3.63 107.32 110.64 3ngb s GLY 118 Ca -0.07 0.44 -0.27 0.00 0.00 0.00 0.00 44.72 44.82 3ngb s GLY 118 CO 0.04 1.25 1.25 -4.14 0.00 0.00 0.00 173.10 171.51 3ngb s PRO 119 N -0.16 4.17 -0.32 2.90 0.02 -1.25 -4.63 135.00 135.73 3ngb s PRO 119 Ca 0.42 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 3ngb s PRO 119 Cb -0.22 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.41 3ngb s PRO 119 CO 0.27 -0.29 0.20 -1.12 -0.33 0.00 0.00 177.00 175.72 3ngb s SER 120 N -0.76 5.85 -0.27 2.53 0.01 0.62 -4.91 113.70 116.77 3ngb s SER 120 Ca 0.53 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 3ngb s SER 120 Cb -0.36 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3ngb s SER 120 CO 0.47 -0.19 0.28 -0.69 0.41 0.00 0.00 173.24 173.52 3ngb s VAL 121 N 1.69 5.25 -0.05 3.43 1.01 -1.26 -0.64 120.40 129.82 3ngb s VAL 121 Ca 0.06 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.49 3ngb s VAL 121 Cb -0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3ngb s VAL 121 CO 0.09 0.22 -0.25 -0.36 0.00 0.00 0.00 175.10 174.80 3ngb s PHE 122 N 1.80 2.41 0.51 5.22 0.08 -0.98 -4.95 117.98 122.07 3ngb s PHE 122 Ca 0.11 -0.61 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 3ngb s PHE 122 Cb -0.16 -1.57 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 3ngb s PHE 122 CO 0.10 -0.14 1.14 -2.14 -0.10 0.00 0.00 175.22 174.08 3ngb s PRO 123 N -0.33 3.52 -0.75 0.24 0.02 -1.26 -0.70 135.00 135.73 3ngb s PRO 123 Ca 0.02 1.67 0.03 0.00 0.02 0.00 0.00 61.00 62.74 3ngb s PRO 123 Cb -0.12 -2.16 0.19 0.00 0.02 0.00 0.00 34.50 32.42 3ngb s PRO 123 CO 0.02 -0.73 0.59 1.28 -0.33 0.00 0.00 177.00 177.83 3ngb n LEU 124 N -0.98 3.40 -4.74 -5.54 4.32 -0.03 -4.84 117.00 108.58 3ngb n LEU 124 Ca 0.10 -5.22 -0.40 0.00 -0.02 0.00 0.00 56.01 50.47 3ngb n LEU 124 Cb 0.50 -0.84 0.01 0.00 -1.62 0.00 0.00 43.42 41.47 3ngb n LEU 124 CO 0.44 1.73 1.02 0.00 -1.22 0.00 0.00 177.39 179.36 3ngb n ALA 125 N 1.94 1.84 -0.81 -1.18 0.00 -1.26 -3.33 120.51 117.71 3ngb n ALA 125 Ca 0.21 0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 3ngb n ALA 125 Cb 0.36 -2.36 0.23 0.00 0.00 0.00 0.00 19.45 17.68 3ngb n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ngb s PRO 126 N -2.32 -0.56 0.00 0.00 0.02 -1.26 -4.91 135.00 125.96 3ngb s PRO 126 Ca 0.60 0.62 0.00 0.00 0.02 0.00 0.00 61.00 62.24 3ngb s PRO 126 Cb -0.47 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3ngb s PRO 126 CO 0.59 -3.43 0.00 0.43 -0.33 0.00 0.00 177.00 174.26 3ngb n SER 127 N -4.68 0.00 -1.95 2.53 7.64 -1.26 -4.22 113.62 111.69 3ngb n SER 127 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.94 3ngb n SER 127 Cb 0.56 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.79 3ngb n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3ngb n SER 128 N 0.00 1.05 -3.57 6.43 7.64 -1.26 -4.92 113.62 118.99 3ngb n SER 128 Ca 0.00 -2.01 -0.37 0.00 1.01 0.00 0.00 58.87 57.50 3ngb n SER 128 Cb 0.00 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.88 3ngb n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ngb n LYS 129 N 0.07 4.28 -3.84 1.43 5.02 -1.26 -4.98 118.16 118.88 3ngb n LYS 129 Ca 0.04 -4.68 -0.06 0.00 -2.02 0.00 0.00 58.31 51.60 3ngb n LYS 129 Cb 1.01 -2.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3ngb n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ngb s SER 130 N -2.09 -0.02 0.00 4.39 1.04 -1.26 -4.97 113.70 110.79 3ngb s SER 130 Ca 0.39 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3ngb s SER 130 Cb 0.16 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.94 3ngb s SER 130 CO -0.04 -1.30 0.00 1.07 0.98 0.00 0.00 173.24 173.94 3ngb n THR 131 N -0.60 0.00 1.80 2.02 5.66 -1.26 -5.00 114.28 116.89 3ngb n THR 131 Ca -0.06 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.04 3ngb n THR 131 Cb 0.60 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.93 3ngb n THR 131 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3ngb n SER 132 N 0.00 0.00 -0.75 1.09 7.64 -1.26 -3.17 113.62 117.17 3ngb n SER 132 Ca 0.00 -1.21 0.06 0.00 1.01 0.00 0.00 58.87 58.73 3ngb n SER 132 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 3ngb n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngb n GLY 133 N 0.66 3.85 3.81 0.23 0.00 -1.26 -5.07 105.19 107.41 3ngb n GLY 133 Ca 0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 3ngb n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ngb s GLY 134 N -2.77 -0.06 0.14 -0.02 0.00 -1.19 -5.16 107.32 98.26 3ngb s GLY 134 Ca 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.98 3ngb s GLY 134 CO -0.08 0.67 -0.11 -0.51 0.00 0.00 0.00 173.10 173.07 3ngb s THR 135 N -2.89 1.17 0.27 0.90 -4.23 -1.26 -4.06 115.64 105.54 3ngb s THR 135 Ca 0.15 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3ngb s THR 135 Cb -0.02 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 3ngb s THR 135 CO 0.04 -0.69 -0.10 0.00 -0.54 0.00 0.00 174.62 173.33 3ngb s ALA 136 N -3.09 2.96 0.14 3.99 0.00 -1.00 -4.84 121.76 119.92 3ngb s ALA 136 Ca 0.15 -1.77 0.11 0.00 0.00 0.00 0.00 51.96 50.45 3ngb s ALA 136 Cb 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3ngb s ALA 136 CO 0.01 0.27 -0.26 0.00 0.00 0.00 0.00 175.76 175.78 3ngb s ALA 137 N -2.42 2.40 0.24 0.00 0.00 -1.26 -2.05 121.76 118.67 3ngb s ALA 137 Ca 0.31 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 3ngb s ALA 137 Cb -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3ngb s ALA 137 CO 0.17 0.51 0.43 -0.48 0.00 0.00 0.00 175.76 176.40 3ngb s LEU 138 N -2.18 0.44 0.00 0.00 0.05 -0.51 -4.40 118.68 112.08 3ngb s LEU 138 Ca 0.15 -0.99 0.00 0.00 0.05 0.00 0.00 54.13 53.34 3ngb s LEU 138 Cb -0.10 1.57 0.00 0.00 -2.05 0.00 0.00 46.19 45.62 3ngb s LEU 138 CO 0.07 -1.10 0.00 0.61 -0.55 0.00 0.00 176.35 175.38 3ngb n GLY 139 N -0.37 0.50 3.44 -3.48 0.00 -1.21 0.52 105.19 104.59 3ngb n GLY 139 Ca -0.01 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3ngb n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb s LEU 141 N -2.60 4.62 -0.68 0.00 2.96 0.13 -0.97 118.68 122.14 3ngb s LEU 141 Ca 0.20 -2.67 -0.27 0.00 -0.22 0.00 0.00 54.13 51.17 3ngb s LEU 141 Cb -0.08 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3ngb s LEU 141 CO 0.10 -0.31 1.32 -0.69 -1.32 0.00 0.00 176.35 175.45 3ngb s VAL 142 N 0.19 3.75 0.04 1.68 1.01 -0.28 -2.33 120.40 124.47 3ngb s VAL 142 Ca 0.15 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.71 3ngb s VAL 142 Cb -0.23 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.36 3ngb s VAL 142 CO -0.03 -1.62 -0.19 -0.75 0.00 0.00 0.00 175.10 172.51 3ngb s LYS 143 N 5.67 2.03 -0.29 2.72 2.20 0.18 -1.35 119.74 130.91 3ngb s LYS 143 Ca 0.41 -1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 3ngb s LYS 143 Cb -0.09 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 3ngb s LYS 143 CO 0.18 0.54 0.06 -0.25 -0.36 0.00 0.00 175.35 175.52 3ngb n ASP 144 N 1.56 -7.44 -3.58 1.43 8.00 -1.11 -0.27 116.55 115.14 3ngb n ASP 144 Ca -0.16 1.20 -0.10 0.00 0.71 0.00 0.00 54.79 56.44 3ngb n ASP 144 Cb 0.52 -4.93 -0.02 0.00 -0.02 0.00 0.00 41.12 36.67 3ngb n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ngb s TYR 145 N -1.59 -0.39 -0.29 1.24 1.13 -1.01 -3.69 117.35 112.75 3ngb s TYR 145 Ca 0.03 0.09 -0.25 0.00 -1.41 0.00 0.00 57.07 55.53 3ngb s TYR 145 Cb -0.01 0.57 0.17 0.00 -1.10 0.00 0.00 41.96 41.59 3ngb s TYR 145 CO 0.71 -0.96 1.31 0.12 -2.51 0.00 0.00 175.55 174.22 3ngb s PHE 146 N -3.81 -0.19 0.39 -3.49 2.19 -1.24 -0.20 117.98 111.63 3ngb s PHE 146 Ca 0.05 0.47 -0.01 0.00 0.33 0.00 0.00 56.93 57.76 3ngb s PHE 146 Cb -0.02 0.44 0.08 0.00 -1.31 0.00 0.00 43.02 42.21 3ngb s PHE 146 CO -0.06 -0.09 0.53 -2.30 1.83 0.00 0.00 175.22 175.13 3ngb n PRO 147 N 1.77 0.12 -1.15 10.12 -0.02 -1.26 -1.35 135.00 143.23 3ngb n PRO 147 Ca -0.11 -1.34 -0.29 0.00 -2.02 0.00 0.00 63.50 59.74 3ngb n PRO 147 Cb 0.57 -0.39 0.16 0.00 -0.02 0.00 0.00 33.50 33.82 3ngb n PRO 147 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ngb s GLU 148 N -3.87 0.69 0.49 -0.52 2.02 -1.26 -4.83 118.70 111.42 3ngb s GLU 148 Ca 0.35 0.66 0.07 0.00 0.02 0.00 0.00 54.97 56.07 3ngb s GLU 148 Cb -0.02 -1.76 0.02 0.00 0.10 0.00 0.00 34.13 32.48 3ngb s GLU 148 CO 0.23 -2.59 0.47 -1.25 0.02 0.00 0.00 175.26 172.14 3ngb s PRO 149 N -4.93 2.41 0.01 0.39 0.05 -1.26 -4.88 135.00 126.80 3ngb s PRO 149 Ca 0.65 -1.70 0.06 0.00 0.05 0.00 0.00 61.00 60.06 3ngb s PRO 149 Cb -0.19 -2.36 -0.02 0.00 0.05 0.00 0.00 34.50 31.99 3ngb s PRO 149 CO 0.58 -0.46 -0.20 0.14 0.05 0.00 0.00 177.00 177.11 3ngb s VAL 150 N -2.60 1.55 -0.17 -0.36 -7.23 -1.26 -4.47 120.40 105.85 3ngb s VAL 150 Ca 0.46 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 3ngb s VAL 150 Cb -0.04 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 3ngb s VAL 150 CO 0.28 0.34 -0.06 0.42 -0.31 0.00 0.00 175.10 175.77 3ngb s THR 151 N -0.58 3.57 -0.15 5.32 -4.23 -0.92 -4.96 115.64 113.69 3ngb s THR 151 Ca 0.07 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 3ngb s THR 151 Cb -0.08 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3ngb s THR 151 CO 0.00 0.47 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.69 3ngb s VAL 152 N 0.73 2.52 0.44 2.29 1.01 -1.26 -1.99 120.40 124.13 3ngb s VAL 152 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3ngb s VAL 152 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3ngb s VAL 152 CO 0.02 0.53 0.06 -0.94 0.00 0.00 0.00 175.10 174.77 3ngb s SER 153 N 0.76 3.36 -0.04 3.32 1.04 -1.03 -4.97 113.70 116.14 3ngb s SER 153 Ca -0.07 -1.61 0.02 0.00 0.48 0.00 0.00 55.95 54.78 3ngb s SER 153 Cb -0.16 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3ngb s SER 153 CO 0.00 -0.83 -0.11 0.26 0.98 0.00 0.00 173.24 173.55 3ngb s TRP 154 N -3.05 1.19 -1.21 5.02 0.52 -1.26 -1.40 118.94 118.75 3ngb s TRP 154 Ca 0.19 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 3ngb s TRP 154 Cb 0.03 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.50 3ngb s TRP 154 CO 0.10 -0.18 0.11 0.09 0.02 0.00 0.00 176.95 177.09 3ngb n ASN 155 N 3.55 -4.30 -2.95 2.95 3.02 -0.19 -1.86 115.26 115.47 3ngb n ASN 155 Ca -0.21 0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.27 3ngb n ASN 155 Cb 0.53 -3.61 0.07 0.00 -0.61 0.00 0.00 39.78 36.15 3ngb n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ngb n SER 156 N -1.95 -2.92 -0.24 6.41 7.64 -1.26 -3.00 113.62 118.29 3ngb n SER 156 Ca -0.14 -0.52 -0.03 0.00 1.01 0.00 0.00 58.87 59.19 3ngb n SER 156 Cb 0.61 -4.25 -0.01 0.00 -1.01 0.00 0.00 64.21 59.54 3ngb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngb n GLY 157 N -1.15 0.61 0.09 0.23 0.00 -0.79 -4.88 105.19 99.30 3ngb n GLY 157 Ca -0.19 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.54 3ngb n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ALA 158 N 1.06 2.40 -3.61 4.61 0.00 -0.82 -4.83 120.51 119.31 3ngb n ALA 158 Ca -0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 3ngb n ALA 158 Cb 0.19 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 3ngb n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ngb s LEU 159 N -5.30 2.62 0.00 0.00 0.20 -0.78 -4.91 118.68 110.51 3ngb s LEU 159 Ca -0.03 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.33 3ngb s LEU 159 Cb 0.10 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 44.23 3ngb s LEU 159 CO 0.82 0.02 0.00 0.35 -0.29 0.00 0.00 176.35 177.25 3ngb n THR 160 N 4.52 0.00 -2.24 3.68 -2.24 -1.26 -4.19 114.28 112.54 3ngb n THR 160 Ca -0.19 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 3ngb n THR 160 Cb 0.51 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3ngb n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ngb s SER 161 N -0.16 5.80 0.00 3.42 0.01 -1.26 -2.85 113.70 118.66 3ngb s SER 161 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.58 3ngb s SER 161 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3ngb s SER 161 CO 0.00 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.30 3ngb n GLY 162 N 5.45 0.73 3.61 3.44 0.00 -1.26 -4.56 105.19 112.59 3ngb n GLY 162 Ca 0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3ngb n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ngb s VAL 163 N -2.00 4.80 -0.24 1.61 1.01 -1.13 -2.73 120.40 121.71 3ngb s VAL 163 Ca 0.00 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 3ngb s VAL 163 Cb 0.00 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3ngb s VAL 163 CO 0.00 -0.26 -0.08 -1.00 0.00 0.00 0.00 175.10 173.75 3ngb s HIS 164 N 2.94 3.08 -0.38 5.22 3.76 -0.04 -5.01 115.29 124.86 3ngb s HIS 164 Ca 0.32 -1.72 -0.05 0.00 -0.15 0.00 0.00 55.06 53.45 3ngb s HIS 164 Cb -0.14 -2.02 0.08 0.00 1.11 0.00 0.00 32.58 31.60 3ngb s HIS 164 CO 0.13 -0.77 0.16 0.99 -0.85 0.00 0.00 174.74 174.40 3ngb s THR 165 N 1.28 3.60 0.62 1.30 2.01 -1.26 -0.87 115.64 122.31 3ngb s THR 165 Ca -0.01 -1.57 -0.17 0.00 0.31 0.00 0.00 61.69 60.25 3ngb s THR 165 Cb -0.17 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3ngb s THR 165 CO -0.05 -0.43 1.16 -0.36 -0.69 0.00 0.00 174.62 174.24 3ngb s PHE 166 N 1.29 2.47 0.45 4.92 0.40 -0.81 -4.98 117.98 121.73 3ngb s PHE 166 Ca 0.02 1.55 -0.24 0.00 -0.60 0.00 0.00 56.93 57.66 3ngb s PHE 166 Cb -0.22 -3.35 -0.09 0.00 0.51 0.00 0.00 43.02 39.88 3ngb s PHE 166 CO -0.00 -1.96 1.21 -2.30 0.70 0.00 0.00 175.22 172.86 3ngb n PRO 167 N -1.90 1.71 -0.79 0.24 -0.02 -1.26 -4.56 135.00 128.43 3ngb n PRO 167 Ca 0.12 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 3ngb n PRO 167 Cb 0.51 -2.32 0.17 0.00 -0.02 0.00 0.00 33.50 31.83 3ngb n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ngb s ALA 168 N -1.25 1.32 -0.05 3.55 0.00 -1.26 -4.81 121.76 119.25 3ngb s ALA 168 Ca 0.64 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 3ngb s ALA 168 Cb -0.50 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.27 3ngb s ALA 168 CO 0.56 -2.75 0.03 0.08 0.00 0.00 0.00 175.76 173.68 3ngb s VAL 169 N -2.68 0.12 -0.39 0.00 1.01 0.39 -4.92 120.40 113.92 3ngb s VAL 169 Ca 0.66 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 3ngb s VAL 169 Cb -0.22 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3ngb s VAL 169 CO 0.59 0.21 1.36 -0.22 0.00 0.00 0.00 175.10 177.03 3ngb s LEU 170 N 2.00 3.66 0.82 3.92 2.96 -1.26 -1.68 118.68 129.10 3ngb s LEU 170 Ca 0.04 0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 54.72 3ngb s LEU 170 Cb -0.12 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.14 3ngb s LEU 170 CO -0.04 -1.33 1.17 -1.10 -1.32 0.00 0.00 176.35 173.73 3ngb s GLN 171 N 4.70 1.62 0.41 1.98 -0.21 -0.75 -4.94 119.66 122.47 3ngb s GLN 171 Ca 0.59 -0.21 0.09 0.00 0.02 0.00 0.00 55.36 55.84 3ngb s GLN 171 Cb -0.14 -2.00 0.89 0.00 1.00 0.00 0.00 33.01 32.76 3ngb s GLN 171 CO 0.30 -1.74 2.03 0.77 -2.12 0.00 0.00 175.29 174.53 3ngb h SER 172 N -1.08 0.47 0.35 5.90 0.02 -1.95 -1.46 113.55 115.80 3ngb h SER 172 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3ngb h SER 172 Cb 1.29 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3ngb h SER 172 CO 0.55 0.32 0.00 0.77 -1.14 0.00 0.00 176.83 177.33 3ngb h SER 173 N 0.55 0.00 0.00 3.07 4.64 -2.01 -3.45 113.55 116.35 3ngb h SER 173 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ngb h SER 173 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ngb h SER 173 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3ngb n GLY 174 N -0.69 0.71 3.39 -0.77 0.00 -0.55 -5.07 105.19 102.21 3ngb n GLY 174 Ca -0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3ngb n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ngb s LEU 175 N 0.00 2.36 0.69 0.99 1.43 -1.26 -4.91 118.68 117.98 3ngb s LEU 175 Ca 0.00 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3ngb s LEU 175 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.80 3ngb s LEU 175 CO 0.00 0.30 1.06 -0.31 0.23 0.00 0.00 176.35 177.64 3ngb s TYR 176 N -0.74 3.29 -0.22 0.29 2.02 0.72 -1.81 117.35 120.91 3ngb s TYR 176 Ca 0.12 1.25 -0.26 0.00 -0.37 0.00 0.00 57.07 57.80 3ngb s TYR 176 Cb -0.10 -2.90 0.08 0.00 -0.40 0.00 0.00 41.96 38.63 3ngb s TYR 176 CO 0.01 -1.12 0.76 0.45 -1.57 0.00 0.00 175.55 174.08 3ngb s SER 177 N -4.07 -0.68 0.13 2.29 0.15 -0.68 -2.41 113.70 108.44 3ngb s SER 177 Ca 0.57 1.20 -0.14 0.00 0.70 0.00 0.00 55.95 58.29 3ngb s SER 177 Cb -0.12 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 65.38 3ngb s SER 177 CO 0.54 -0.31 0.37 -1.48 1.20 0.00 0.00 173.24 173.55 3ngb s LEU 178 N -0.00 0.61 0.19 3.45 0.05 -0.46 -0.46 118.68 122.06 3ngb s LEU 178 Ca -0.02 -0.47 0.10 0.00 0.05 0.00 0.00 54.13 53.78 3ngb s LEU 178 Cb -0.04 1.66 -0.04 0.00 -2.05 0.00 0.00 46.19 45.72 3ngb s LEU 178 CO 0.02 -0.87 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.37 3ngb s SER 179 N -2.85 3.98 -0.20 1.48 0.01 -1.26 -1.12 113.70 113.75 3ngb s SER 179 Ca 0.06 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.59 3ngb s SER 179 Cb 0.02 -0.56 0.07 0.00 0.21 0.00 0.00 66.02 65.75 3ngb s SER 179 CO -0.09 0.10 0.07 -0.55 0.41 0.00 0.00 173.24 173.18 3ngb s SER 180 N -2.85 2.82 0.35 2.44 0.15 -0.14 -1.93 113.70 114.54 3ngb s SER 180 Ca 0.24 -0.84 0.08 0.00 0.70 0.00 0.00 55.95 56.13 3ngb s SER 180 Cb -0.08 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.75 3ngb s SER 180 CO 0.14 -0.34 0.29 0.68 1.20 0.00 0.00 173.24 175.20 3ngb s VAL 181 N 1.98 3.28 -0.14 4.45 -7.23 -0.05 -0.69 120.40 122.00 3ngb s VAL 181 Ca 0.02 -1.41 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 3ngb s VAL 181 Cb -0.17 -3.12 0.05 0.00 0.56 0.00 0.00 36.38 33.71 3ngb s VAL 181 CO -0.12 -0.14 0.56 0.54 -0.31 0.00 0.00 175.10 175.63 3ngb s VAL 182 N -2.36 0.01 -0.20 1.32 0.11 0.18 -0.86 120.40 118.61 3ngb s VAL 182 Ca 0.42 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.32 3ngb s VAL 182 Cb -0.05 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3ngb s VAL 182 CO 0.26 -0.04 0.05 0.42 -3.33 0.00 0.00 175.10 172.46 3ngb s THR 183 N -0.38 4.56 0.04 5.04 -4.23 -1.11 -1.43 115.64 118.12 3ngb s THR 183 Ca -0.05 -0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.35 3ngb s THR 183 Cb -0.03 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 3ngb s THR 183 CO 0.04 0.43 -0.03 0.68 -0.54 0.00 0.00 174.62 175.19 3ngb s VAL 184 N 0.74 0.19 0.14 2.29 -7.23 -0.87 -4.72 120.40 110.93 3ngb s VAL 184 Ca 0.03 -1.30 -0.35 0.00 -1.81 0.00 0.00 61.98 58.55 3ngb s VAL 184 Cb -0.13 -0.81 -0.15 0.00 0.56 0.00 0.00 36.38 35.85 3ngb s VAL 184 CO 0.02 -0.70 1.51 -2.65 -0.31 0.00 0.00 175.10 172.97 3ngb n PRO 185 N 0.97 1.85 0.00 4.82 -0.02 -1.26 -2.37 135.00 138.98 3ngb n PRO 185 Ca -0.20 0.67 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 3ngb n PRO 185 Cb 0.57 -2.40 0.25 0.00 -0.02 0.00 0.00 33.50 31.91 3ngb n PRO 185 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ngb n SER 186 N 3.15 0.00 -0.06 2.55 3.41 -1.26 -2.34 113.62 119.07 3ngb n SER 186 Ca 0.17 -1.09 -0.16 0.00 -0.26 0.00 0.00 58.87 57.53 3ngb n SER 186 Cb 0.26 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 3ngb n SER 186 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ngb n SER 187 N -0.69 1.45 -0.30 4.04 3.41 -1.26 -4.23 113.62 116.03 3ngb n SER 187 Ca 0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3ngb n SER 187 Cb 0.03 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3ngb n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ngb n SER 188 N -3.20 0.58 -0.05 4.04 3.41 -0.99 -3.50 113.62 113.92 3ngb n SER 188 Ca -0.33 -1.93 0.15 0.00 -0.26 0.00 0.00 58.87 56.50 3ngb n SER 188 Cb 1.05 -0.29 0.76 0.00 -0.26 0.00 0.00 64.21 65.48 3ngb n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ngb n LEU 189 N -0.19 0.18 -0.01 1.04 4.77 -1.26 -1.37 117.00 120.17 3ngb n LEU 189 Ca 0.00 0.10 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3ngb n LEU 189 Cb 0.14 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 3ngb n LEU 189 CO 0.00 0.03 -0.67 0.61 -1.33 0.00 0.00 177.39 176.03 3ngb n GLY 190 N 1.20 -0.54 0.25 -0.72 0.00 -1.23 -4.74 105.19 99.41 3ngb n GLY 190 Ca 0.17 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3ngb n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngb n THR 191 N -1.97 1.11 -2.68 2.61 -2.24 -1.22 -5.01 114.28 104.88 3ngb n THR 191 Ca -0.04 -0.34 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3ngb n THR 191 Cb 0.38 -1.52 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 3ngb n THR 191 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ngb s GLN 192 N -2.38 4.21 -0.15 -0.78 -1.52 -0.47 -5.06 119.66 113.52 3ngb s GLN 192 Ca -0.27 1.32 0.01 0.00 -1.95 0.00 0.00 55.36 54.47 3ngb s GLN 192 Cb 0.09 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.48 3ngb s GLN 192 CO 0.40 -0.07 -0.18 -0.08 -0.25 0.00 0.00 175.29 175.11 3ngb s THR 193 N -1.87 2.46 -0.20 -0.19 -1.32 -1.26 -4.75 115.64 108.51 3ngb s THR 193 Ca 0.59 -0.85 -0.04 0.00 -1.21 0.00 0.00 61.69 60.18 3ngb s THR 193 Cb -0.16 -2.01 -0.02 0.00 -1.51 0.00 0.00 72.50 68.79 3ngb s THR 193 CO 0.21 0.53 -0.02 -0.31 -2.21 0.00 0.00 174.62 172.81 3ngb s TYR 194 N 0.76 3.00 -0.06 9.09 2.02 -1.26 -4.95 117.35 125.95 3ngb s TYR 194 Ca -0.07 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 3ngb s TYR 194 Cb -0.16 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 3ngb s TYR 194 CO 0.00 -0.30 -0.10 0.42 -1.57 0.00 0.00 175.55 174.00 3ngb s ILE 195 N 1.02 0.96 -0.18 2.71 1.01 -1.26 -1.08 121.20 124.38 3ngb s ILE 195 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3ngb s ILE 195 Cb -0.14 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3ngb s ILE 195 CO 0.01 0.31 0.23 0.00 0.00 0.00 0.00 174.94 175.49 3ngb s ASN 197 N 0.47 6.13 -0.02 0.00 -0.87 -0.49 -2.61 114.94 117.55 3ngb s ASN 197 Ca 0.13 -1.85 -0.16 0.00 -1.57 0.00 0.00 52.86 49.41 3ngb s ASN 197 Cb -0.12 -2.18 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 3ngb s ASN 197 CO 0.02 -0.82 0.45 -0.69 -2.57 0.00 0.00 177.10 173.49 3ngb s VAL 198 N 1.50 5.02 -0.03 1.60 1.01 0.82 -2.47 120.40 127.86 3ngb s VAL 198 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3ngb s VAL 198 Cb -0.29 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3ngb s VAL 198 CO 0.02 0.51 -0.05 0.21 0.00 0.00 0.00 175.10 175.79 3ngb s ASN 199 N -0.65 0.86 -0.42 3.32 2.47 -0.84 -0.76 114.94 118.92 3ngb s ASN 199 Ca 0.25 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.42 3ngb s ASN 199 Cb -0.17 -0.30 0.14 0.00 -1.45 0.00 0.00 41.25 39.47 3ngb s ASN 199 CO 0.13 0.00 0.23 -2.28 -3.72 0.00 0.00 177.10 171.47 3ngb s HIS 200 N 0.47 1.67 0.21 0.43 5.65 -0.85 -2.16 115.29 120.70 3ngb s HIS 200 Ca -0.06 -2.23 -0.09 0.00 0.25 0.00 0.00 55.06 52.93 3ngb s HIS 200 Cb -0.10 -1.65 0.27 0.00 -1.18 0.00 0.00 32.58 29.93 3ngb s HIS 200 CO 0.00 -0.79 1.76 0.87 -0.65 0.00 0.00 174.74 175.92 3ngb h LYS 201 N 6.79 0.45 -1.15 2.88 1.79 -1.86 -0.79 116.57 124.68 3ngb h LYS 201 Ca 0.01 -0.03 0.33 0.00 -2.18 0.00 0.00 60.65 58.78 3ngb h LYS 201 Cb 0.94 -0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 31.39 3ngb h LYS 201 CO 0.43 0.30 0.75 -1.35 -1.08 0.00 0.00 179.45 178.50 3ngb h PRO 202 N 0.47 0.25 -0.15 3.15 0.11 -1.88 0.15 132.00 134.09 3ngb h PRO 202 Ca 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3ngb h PRO 202 Cb 0.34 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3ngb h PRO 202 CO -0.28 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 3ngb n SER 203 N -4.59 2.48 -3.44 -2.05 3.41 -0.99 -4.86 113.62 103.57 3ngb n SER 203 Ca 0.29 -2.10 -0.23 0.00 -0.26 0.00 0.00 58.87 56.57 3ngb n SER 203 Cb 1.09 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.91 3ngb n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ngb n ASN 204 N -0.14 -6.02 -3.56 4.04 5.03 0.51 -5.00 115.26 110.12 3ngb n ASN 204 Ca 0.06 -0.33 -0.21 0.00 0.87 0.00 0.00 54.58 54.97 3ngb n ASN 204 Cb 0.37 -2.83 -0.15 0.00 -1.02 0.00 0.00 39.78 36.15 3ngb n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ngb s THR 205 N -2.44 -0.22 -0.23 3.41 2.01 -1.00 -5.01 115.64 112.16 3ngb s THR 205 Ca 0.16 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 3ngb s THR 205 Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3ngb s THR 205 CO 0.85 -0.20 0.37 -0.54 -0.69 0.00 0.00 174.62 174.40 3ngb s LYS 206 N 2.24 4.11 -0.02 4.92 3.01 -1.26 -2.01 119.74 130.73 3ngb s LYS 206 Ca 0.04 0.11 0.04 0.00 -1.01 0.00 0.00 55.97 55.16 3ngb s LYS 206 Cb -0.15 -3.57 -0.01 0.00 -1.01 0.00 0.00 37.83 33.08 3ngb s LYS 206 CO -0.10 -0.10 -0.15 0.08 0.51 0.00 0.00 175.35 175.59 3ngb s VAL 207 N 1.53 1.21 0.14 3.17 1.01 0.06 -5.02 120.40 122.50 3ngb s VAL 207 Ca 0.17 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3ngb s VAL 207 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ngb s VAL 207 CO 0.08 0.35 -0.20 -1.81 0.00 0.00 0.00 175.10 173.52 3ngb s ASP 208 N -0.18 2.66 -0.10 3.32 1.01 -1.26 -0.13 116.67 121.99 3ngb s ASP 208 Ca 0.02 -0.79 -0.07 0.00 0.71 0.00 0.00 52.55 52.42 3ngb s ASP 208 Cb -0.08 -0.15 0.04 0.00 1.01 0.00 0.00 42.92 43.74 3ngb s ASP 208 CO 0.00 0.01 0.26 -0.75 0.21 0.00 0.00 175.17 174.90 3ngb s LYS 209 N -2.43 0.25 -0.31 8.23 2.47 -1.07 -4.98 119.74 121.89 3ngb s LYS 209 Ca 0.12 0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 54.77 3ngb s LYS 209 Cb -0.08 -0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.28 3ngb s LYS 209 CO 0.06 -0.12 0.83 0.15 0.16 0.00 0.00 175.35 176.43 3ngb s LYS 210 N 0.86 3.97 -0.48 4.03 1.02 -1.26 -2.12 119.74 125.75 3ngb s LYS 210 Ca -0.06 0.65 -0.19 0.00 0.02 0.00 0.00 55.97 56.38 3ngb s LYS 210 Cb -0.07 -3.73 0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3ngb s LYS 210 CO -0.06 -0.72 0.61 0.00 -0.92 0.00 0.00 175.35 174.26 3ngb s ALA 211 N 3.07 3.37 -0.02 5.17 0.00 -0.24 -4.91 121.76 128.20 3ngb s ALA 211 Ca 0.34 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.82 3ngb s ALA 211 Cb -0.14 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3ngb s ALA 211 CO 0.13 -1.90 -0.17 -2.00 0.00 0.00 0.00 175.76 171.83 3ngb s GLU 212 N 2.66 1.44 1.07 0.00 2.56 -1.26 -4.25 118.70 120.91 3ngb s GLU 212 Ca 0.17 -0.59 -0.15 0.00 0.00 0.00 0.00 54.97 54.40 3ngb s GLU 212 Cb -0.17 -1.36 0.12 0.00 2.00 0.00 0.00 34.13 34.72 3ngb s GLU 212 CO 0.14 0.33 0.38 -2.30 -0.56 0.00 0.00 175.26 173.26 3ngb n PRO 213 N 2.79 -1.29 -1.12 4.30 -0.02 -1.26 -4.63 135.00 133.76 3ngb n PRO 213 Ca -0.15 -0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 60.62 3ngb n PRO 213 Cb 0.54 -1.88 0.07 0.00 -0.02 0.00 0.00 33.50 32.21 3ngb n PRO 213 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ngb n LYS 214 N -2.64 0.11 -3.10 -0.52 4.76 -1.26 -4.94 118.16 110.58 3ngb n LYS 214 Ca 0.04 0.07 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 3ngb n LYS 214 Cb 0.58 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 3ngb n LYS 214 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3ngb n SER 215 N 0.07 3.90 0.00 4.39 7.64 -1.26 -5.13 113.62 123.24 3ngb n SER 215 Ca 0.08 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.41 3ngb n SER 215 Cb 0.51 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3ngb n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03