#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s ARG 2 N 0.00 -0.04 -0.02 -0.52 3.52 -1.26 -1.03 118.95 119.60 3cma s ARG 2 Ca 0.00 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.85 3cma s ARG 2 Cb 0.00 -0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 3cma s ARG 2 CO 0.00 -0.17 -0.17 0.14 -0.81 0.00 0.00 175.30 174.29 3cma s VAL 3 N 1.09 1.36 -0.08 7.11 -7.23 0.15 -5.00 120.40 117.80 3cma s VAL 3 Ca -0.09 -0.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.41 3cma s VAL 3 Cb -0.13 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 3cma s VAL 3 CO -0.03 0.39 -0.23 -1.61 -0.31 0.00 0.00 175.10 173.31 3cma s GLU 4 N -0.27 2.74 -0.19 4.82 2.02 -1.26 -1.13 118.70 125.43 3cma s GLU 4 Ca 0.04 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.20 3cma s GLU 4 Cb -0.08 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 32.02 3cma s GLU 4 CO 0.00 0.23 -0.17 -0.51 0.02 0.00 0.00 175.26 174.83 3cma s LEU 5 N 0.19 2.24 -0.08 1.80 1.43 -0.33 -4.96 118.68 118.96 3cma s LEU 5 Ca -0.13 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 3cma s LEU 5 Cb -0.16 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3cma s LEU 5 CO 0.07 -0.04 1.08 -1.61 0.23 0.00 0.00 176.35 176.07 3cma s GLU 6 N 1.31 4.40 0.03 1.70 2.02 -1.26 -0.50 118.70 126.39 3cma s GLU 6 Ca 0.03 1.50 -0.29 0.00 0.02 0.00 0.00 54.97 56.23 3cma s GLU 6 Cb -0.14 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 3cma s GLU 6 CO -0.11 -0.36 0.94 -1.50 0.02 0.00 0.00 175.26 174.24 3cma s ILE 7 N 2.06 4.78 0.60 -1.63 2.07 -0.32 -4.96 121.20 123.80 3cma s ILE 7 Ca 0.51 1.98 -0.18 0.00 -1.41 0.00 0.00 60.65 61.55 3cma s ILE 7 Cb -0.21 -4.28 -0.08 0.00 0.13 0.00 0.00 42.46 38.02 3cma s ILE 7 CO 0.20 0.22 0.46 -2.65 -1.91 0.00 0.00 174.94 171.26 3cma n PRO 8 N 3.52 0.43 0.08 3.50 -0.02 -1.26 -4.84 135.00 136.40 3cma n PRO 8 Ca 0.04 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 3cma n PRO 8 Cb 0.50 -1.66 0.43 0.00 -0.02 0.00 0.00 33.50 32.76 3cma n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3cma h GLU 9 N 0.09 0.37 0.00 -0.52 4.11 -1.99 0.22 114.58 116.86 3cma h GLU 9 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3cma h GLU 9 Cb 1.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3cma h GLU 9 CO 0.45 0.33 0.00 0.22 0.07 0.00 0.00 179.01 180.08 3cma h ASP 10 N 0.37 0.00 -3.03 3.06 1.82 -1.97 -3.45 116.42 113.22 3cma h ASP 10 Ca 0.09 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.12 3cma h ASP 10 Cb 0.12 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.03 3cma h ASP 10 CO -0.01 0.00 -0.62 -0.69 -1.61 0.00 0.00 179.24 176.32 3cma s VAL 11 N -3.42 4.22 -0.02 2.25 1.01 0.07 -4.39 120.40 120.11 3cma s VAL 11 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3cma s VAL 11 Cb 0.09 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3cma s VAL 11 CO 0.45 0.01 0.01 -1.81 0.00 0.00 0.00 175.10 173.76 3cma s ASP 12 N -2.69 0.15 -0.25 3.32 1.01 -1.09 -4.70 116.67 112.43 3cma s ASP 12 Ca 0.28 0.01 -0.01 0.00 0.71 0.00 0.00 52.55 53.54 3cma s ASP 12 Cb -0.11 -0.08 0.08 0.00 1.01 0.00 0.00 42.92 43.82 3cma s ASP 12 CO 0.21 -0.08 0.04 0.00 0.21 0.00 0.00 175.17 175.55 3cma s ALA 13 N 0.69 1.45 0.86 5.23 0.00 -1.26 -1.92 121.76 126.81 3cma s ALA 13 Ca -0.06 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 3cma s ALA 13 Cb -0.09 -1.41 0.16 0.00 0.00 0.00 0.00 23.12 21.77 3cma s ALA 13 CO -0.02 -1.37 1.19 -2.00 0.00 0.00 0.00 175.76 173.56 3cma s GLU 14 N 1.65 1.18 0.00 0.00 2.12 -0.66 -4.90 118.70 118.09 3cma s GLU 14 Ca 0.02 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3cma s GLU 14 Cb -0.18 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.19 3cma s GLU 14 CO -0.14 -1.97 0.00 0.94 -0.54 0.00 0.00 175.26 173.56 3cma n GLN 15 N -3.38 0.00 -4.64 4.30 0.00 -1.26 -1.79 117.38 110.61 3cma n GLN 15 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.90 3cma n GLN 15 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.68 3cma n GLN 15 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3cma s ASP 16 N 0.00 1.74 1.73 1.69 -4.77 -0.65 -4.94 116.67 111.47 3cma s ASP 16 Ca 0.00 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 48.97 3cma s ASP 16 Cb 0.00 -0.47 0.00 0.00 -1.09 0.00 0.00 42.92 41.36 3cma s ASP 16 CO 0.00 0.11 0.00 1.41 0.70 0.00 0.00 175.17 177.39 3cma n HIS 17 N 3.21 0.00 0.43 2.11 8.25 -1.26 -1.84 115.22 126.12 3cma n HIS 17 Ca -0.18 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3cma n HIS 17 Cb 0.53 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.90 3cma n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3cma n LEU 18 N 0.00 2.81 -4.69 2.41 4.77 -1.26 -4.90 117.00 116.13 3cma n LEU 18 Ca 0.00 -1.34 -0.35 0.00 -0.03 0.00 0.00 56.01 54.29 3cma n LEU 18 Cb 0.00 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 3cma n LEU 18 CO 0.00 0.67 -0.30 -1.81 -1.33 0.00 0.00 177.39 174.62 3cma s ASP 19 N -1.18 5.28 -0.01 -1.43 1.01 -0.77 -1.41 116.67 118.16 3cma s ASP 19 Ca 0.36 0.15 0.08 0.00 0.71 0.00 0.00 52.55 53.85 3cma s ASP 19 Cb 0.19 -1.49 -0.02 0.00 1.01 0.00 0.00 42.92 42.61 3cma s ASP 19 CO 0.26 0.37 -0.25 -0.63 0.21 0.00 0.00 175.17 175.13 3cma s ILE 20 N -0.91 1.97 -0.10 0.77 1.01 0.13 -1.64 121.20 122.43 3cma s ILE 20 Ca 0.14 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 3cma s ILE 20 Cb -0.11 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.74 3cma s ILE 20 CO 0.03 0.53 -0.08 -0.89 0.00 0.00 0.00 174.94 174.53 3cma s THR 21 N -0.61 0.99 -0.08 2.92 2.01 -0.74 -0.48 115.64 119.65 3cma s THR 21 Ca 0.10 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.82 3cma s THR 21 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3cma s THR 21 CO -0.01 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.49 3cma s VAL 22 N 1.55 3.40 0.02 3.82 1.01 0.79 -1.65 120.40 129.34 3cma s VAL 22 Ca 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3cma s VAL 22 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3cma s VAL 22 CO -0.06 0.57 -0.12 -1.61 0.00 0.00 0.00 175.10 173.88 3cma s GLU 23 N -0.47 0.86 0.23 2.72 2.02 -0.81 0.45 118.70 123.70 3cma s GLU 23 Ca 0.06 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 3cma s GLU 23 Cb -0.12 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.28 3cma s GLU 23 CO 0.02 0.21 0.30 0.41 0.02 0.00 0.00 175.26 176.22 3cma n GLY 24 N 2.18 2.59 0.00 -1.39 0.00 0.92 -2.66 105.19 106.83 3cma n GLY 24 Ca -0.17 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.33 3cma n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 25 N -1.85 0.00 -0.24 1.61 8.00 -1.07 -1.91 116.55 121.09 3cma n ASP 25 Ca 0.01 -0.88 0.03 0.00 0.71 0.00 0.00 54.79 54.66 3cma n ASP 25 Cb 0.38 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3cma n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3cma n ASN 26 N -0.79 1.61 0.00 -2.24 5.15 0.28 -5.02 115.26 114.25 3cma n ASN 26 Ca 0.09 -1.35 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 3cma n ASN 26 Cb 0.04 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 3cma n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cma n GLY 27 N 0.27 0.66 3.35 8.20 0.00 -0.80 -4.64 105.19 112.22 3cma n GLY 27 Ca 0.04 -2.14 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 3cma n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cma s SER 28 N -2.99 2.78 -0.12 1.61 1.04 -1.26 -0.06 113.70 114.70 3cma s SER 28 Ca 0.00 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 3cma s SER 28 Cb 0.00 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.00 3cma s SER 28 CO 0.00 -0.03 0.26 -0.69 0.98 0.00 0.00 173.24 173.76 3cma s VAL 29 N -2.10 -0.19 0.06 5.02 1.01 0.17 -4.84 120.40 119.53 3cma s VAL 29 Ca 0.17 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3cma s VAL 29 Cb -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3cma s VAL 29 CO 0.07 0.08 -0.13 -0.89 0.00 0.00 0.00 175.10 174.23 3cma s THR 30 N 1.73 3.16 0.09 3.92 2.01 -1.26 -0.15 115.64 125.13 3cma s THR 30 Ca -0.05 -1.14 -0.07 0.00 0.31 0.00 0.00 61.69 60.73 3cma s THR 30 Cb -0.11 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 3cma s THR 30 CO -0.09 0.27 0.15 -0.13 -0.69 0.00 0.00 174.62 174.13 3cma s ARG 31 N -1.71 0.82 -0.28 4.92 0.52 0.37 -4.97 118.95 118.61 3cma s ARG 31 Ca 0.17 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 3cma s ARG 31 Cb -0.11 0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.70 3cma s ARG 31 CO 0.09 -0.24 0.03 0.50 0.02 0.00 0.00 175.30 175.69 3cma s ARG 32 N -3.88 2.96 -0.87 3.54 3.52 -1.26 -0.69 118.95 122.26 3cma s ARG 32 Ca 0.06 -0.93 -0.05 0.00 -0.13 0.00 0.00 55.73 54.69 3cma s ARG 32 Cb 0.05 -3.22 0.22 0.00 -1.56 0.00 0.00 34.95 30.44 3cma s ARG 32 CO -0.10 -0.44 0.77 -0.51 -0.81 0.00 0.00 175.30 174.21 3cma s LEU 33 N 1.42 5.76 -0.28 -0.88 1.43 -0.50 -5.01 118.68 120.61 3cma s LEU 33 Ca 0.01 -3.43 -0.03 0.00 -1.03 0.00 0.00 54.13 49.65 3cma s LEU 33 Cb -0.17 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3cma s LEU 33 CO -0.00 -0.28 0.00 0.86 0.23 0.00 0.00 176.35 177.16 3cma s TRP 34 N -0.93 3.17 -0.05 0.29 -0.00 -1.26 -4.87 118.94 115.28 3cma s TRP 34 Ca 0.25 -1.54 -0.12 0.00 -0.00 0.00 0.00 56.10 54.68 3cma s TRP 34 Cb -0.10 -2.13 0.02 0.00 -0.00 0.00 0.00 33.47 31.26 3cma s TRP 34 CO -0.10 -0.73 0.29 -0.47 -0.00 0.00 0.00 176.95 175.95 3cma s TYR 35 N 1.34 -0.21 0.00 5.86 5.04 -1.26 -5.12 117.35 123.00 3cma s TYR 35 Ca -0.01 0.43 -0.35 0.00 -2.44 0.00 0.00 57.07 54.70 3cma s TYR 35 Cb -0.18 0.09 -0.14 0.00 0.35 0.00 0.00 41.96 42.08 3cma s TYR 35 CO -0.01 -0.29 1.68 -2.30 -1.34 0.00 0.00 175.55 173.29 3cma n PRO 36 N 1.93 1.91 -2.17 4.97 -0.02 -1.26 -2.79 135.00 137.56 3cma n PRO 36 Ca -0.18 0.69 -0.19 0.00 -2.02 0.00 0.00 63.50 61.80 3cma n PRO 36 Cb 0.57 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3cma n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cma n ASP 37 N 4.76 -5.24 -4.28 2.55 8.00 -1.26 -4.98 116.55 116.10 3cma n ASP 37 Ca 0.20 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.51 3cma n ASP 37 Cb 0.26 -4.46 -0.14 0.00 -0.02 0.00 0.00 41.12 36.76 3cma n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cma s ILE 38 N -2.83 3.25 -0.21 0.53 1.01 -1.12 -4.29 121.20 117.54 3cma s ILE 38 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3cma s ILE 38 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3cma s ILE 38 CO 0.00 0.37 0.06 -1.81 0.00 0.00 0.00 174.94 173.56 3cma s ASP 39 N 1.44 5.34 -0.26 3.58 1.01 0.11 -4.69 116.67 123.20 3cma s ASP 39 Ca 0.05 -0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 3cma s ASP 39 Cb -0.15 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 41.88 3cma s ASP 39 CO -0.04 0.09 -0.02 -0.69 0.21 0.00 0.00 175.17 174.72 3cma s VAL 40 N 0.88 3.14 0.11 -1.27 1.01 -1.26 -0.97 120.40 122.05 3cma s VAL 40 Ca 0.03 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3cma s VAL 40 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3cma s VAL 40 CO 0.02 0.15 -0.09 -0.94 0.00 0.00 0.00 175.10 174.24 3cma s SER 41 N 1.36 1.52 -0.41 3.32 1.04 0.41 -4.97 113.70 115.97 3cma s SER 41 Ca 0.00 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 3cma s SER 41 Cb -0.17 0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.99 3cma s SER 41 CO -0.03 -0.32 0.29 -0.69 0.98 0.00 0.00 173.24 173.48 3cma s VAL 42 N -2.96 5.21 -1.04 5.02 1.01 -1.26 0.98 120.40 127.36 3cma s VAL 42 Ca 0.10 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3cma s VAL 42 Cb 0.00 -3.91 0.27 0.00 0.00 0.00 0.00 36.38 32.75 3cma s VAL 42 CO -0.01 -0.31 1.10 -0.67 0.00 0.00 0.00 175.10 175.22 3cma n ASP 43 N 5.15 5.33 0.00 3.32 2.03 0.43 -4.95 116.55 127.86 3cma n ASP 43 Ca -0.11 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.04 3cma n ASP 43 Cb 0.47 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 3cma n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cma n GLY 44 N 2.21 1.28 0.57 0.27 0.00 -1.26 -1.89 105.19 106.37 3cma n GLY 44 Ca 0.24 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.62 3cma n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cma n ASP 45 N 5.49 2.29 -4.21 1.61 5.75 -1.26 -4.98 116.55 121.24 3cma n ASP 45 Ca 0.00 -1.64 -0.23 0.00 -0.01 0.00 0.00 54.79 52.92 3cma n ASP 45 Cb 0.00 -0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 39.91 3cma n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3cma s THR 46 N -1.09 1.41 -0.22 2.12 -4.23 -0.79 -1.18 115.64 111.67 3cma s THR 46 Ca 0.18 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 3cma s THR 46 Cb 0.12 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3cma s THR 46 CO 0.17 0.06 0.10 -0.69 -0.54 0.00 0.00 174.62 173.72 3cma s VAL 47 N -0.90 4.86 -0.14 2.29 1.01 0.35 0.16 120.40 128.03 3cma s VAL 47 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3cma s VAL 47 Cb -0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3cma s VAL 47 CO 0.02 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.78 3cma s VAL 48 N 0.89 3.84 -0.26 2.92 1.01 0.28 -1.19 120.40 127.89 3cma s VAL 48 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3cma s VAL 48 Cb -0.13 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3cma s VAL 48 CO 0.03 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 174.92 3cma s ILE 49 N 0.12 2.35 0.10 2.22 1.01 -0.28 -0.45 121.20 126.27 3cma s ILE 49 Ca -0.01 -1.50 -0.00 0.00 0.00 0.00 0.00 60.65 59.13 3cma s ILE 49 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3cma s ILE 49 CO 0.03 0.01 -0.01 -1.83 0.00 0.00 0.00 174.94 173.15 3cma s GLU 50 N 1.16 0.82 -0.20 2.79 -1.05 -0.15 -0.68 118.70 121.39 3cma s GLU 50 Ca -0.07 -1.35 -0.28 0.00 -0.15 0.00 0.00 54.97 53.12 3cma s GLU 50 Cb -0.19 0.07 0.11 0.00 -0.44 0.00 0.00 34.13 33.68 3cma s GLU 50 CO -0.05 -0.14 0.92 0.45 0.95 0.00 0.00 175.26 177.39 3cma s SER 51 N -3.02 -0.50 0.35 0.83 0.15 -0.20 0.08 113.70 111.38 3cma s SER 51 Ca 0.16 0.79 0.19 0.00 0.70 0.00 0.00 55.95 57.78 3cma s SER 51 Cb 0.07 0.74 0.28 0.00 -1.71 0.00 0.00 66.02 65.39 3cma s SER 51 CO -0.03 -0.30 1.55 0.44 1.20 0.00 0.00 173.24 176.10 3cma h ASP 52 N 3.62 0.00 -3.76 5.45 3.32 -1.85 0.25 116.42 123.45 3cma h ASP 52 Ca -0.25 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.31 3cma h ASP 52 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3cma h ASP 52 CO 0.21 0.32 0.36 -1.61 -1.72 0.00 0.00 179.24 176.80 3cma s GLU 53 N -3.13 4.84 -0.11 3.56 0.41 -1.26 -4.62 118.70 118.40 3cma s GLU 53 Ca 0.04 1.50 0.22 0.00 -0.41 0.00 0.00 54.97 56.32 3cma s GLU 53 Cb 0.07 -3.26 0.45 0.00 -1.78 0.00 0.00 34.13 29.60 3cma s GLU 53 CO 0.71 0.50 1.17 -0.40 -0.49 0.00 0.00 175.26 176.74 3cma n ASP 54 N 1.45 1.47 -4.93 -0.19 5.75 -1.26 -4.29 116.55 114.55 3cma n ASP 54 Ca -0.02 -2.41 -0.26 0.00 -0.01 0.00 0.00 54.79 52.09 3cma n ASP 54 Cb 0.47 -0.38 0.03 0.00 -1.03 0.00 0.00 41.12 40.22 3cma n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cma s ASN 55 N -2.68 5.52 0.21 -1.12 2.20 -1.26 -4.78 114.94 113.03 3cma s ASN 55 Ca 0.34 0.59 -0.16 0.00 -0.94 0.00 0.00 52.86 52.70 3cma s ASN 55 Cb 0.37 -1.57 0.22 0.00 -2.00 0.00 0.00 41.25 38.26 3cma s ASN 55 CO -0.11 -1.08 1.60 0.00 -2.94 0.00 0.00 177.10 174.57 3cma h ALA 56 N -0.14 0.26 -0.03 3.54 0.00 -1.98 0.97 119.26 121.88 3cma h ALA 56 Ca -0.45 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3cma h ALA 56 Cb 1.26 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3cma h ALA 56 CO 0.60 -0.52 -0.13 0.87 0.00 0.00 0.00 179.25 180.06 3cma h LYS 57 N -0.07 0.05 0.02 0.00 1.57 -2.00 -0.94 116.57 115.20 3cma h LYS 57 Ca 0.29 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3cma h LYS 57 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3cma h LYS 57 CO -0.70 0.19 -0.15 1.15 -0.57 0.00 0.00 179.45 179.37 3cma h THR 58 N 0.05 1.68 -0.23 -0.16 2.02 -1.44 -3.19 112.91 111.63 3cma h THR 58 Ca 0.01 -2.18 0.07 0.00 0.77 0.00 0.00 66.41 65.08 3cma h THR 58 Cb 0.27 3.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3cma h THR 58 CO 0.02 0.58 0.17 0.24 0.37 0.00 0.00 175.52 176.90 3cma h MET 59 N -0.77 0.00 -0.16 6.66 2.86 -0.71 -2.02 114.93 120.79 3cma h MET 59 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3cma h MET 59 Cb 1.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 3cma h MET 59 CO 0.03 0.00 0.06 0.77 1.06 0.00 0.00 176.91 178.83 3cma h SER 60 N 0.00 0.22 0.09 1.22 0.02 -1.18 -2.67 113.55 111.25 3cma h SER 60 Ca 0.11 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 3cma h SER 60 Cb 0.46 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3cma h SER 60 CO -0.00 0.34 -0.47 0.74 -1.14 0.00 0.00 176.83 176.30 3cma h THR 61 N 0.09 1.32 0.06 -2.27 2.02 -1.38 -2.44 112.91 110.32 3cma h THR 61 Ca 0.05 -1.68 0.02 0.00 0.77 0.00 0.00 66.41 65.57 3cma h THR 61 Cb 0.19 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3cma h THR 61 CO -0.00 0.52 -0.15 0.40 0.37 0.00 0.00 175.52 176.66 3cma h ILE 62 N 0.36 0.65 -0.88 3.11 2.04 -1.34 0.89 117.51 122.34 3cma h ILE 62 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3cma h ILE 62 Cb 0.96 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 3cma h ILE 62 CO 0.08 0.00 0.57 1.23 0.00 0.00 0.00 178.15 180.04 3cma h GLY 63 N -0.28 1.27 0.78 5.37 0.00 -1.43 -1.51 103.07 107.27 3cma h GLY 63 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3cma h GLY 63 CO -0.10 0.30 0.01 -0.84 0.00 0.00 0.00 176.54 175.91 3cma h THR 64 N 1.00 1.23 -0.57 4.70 2.02 -0.69 -2.79 112.91 117.81 3cma h THR 64 Ca 0.38 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.91 3cma h THR 64 Cb 0.19 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3cma h THR 64 CO -0.14 0.20 0.38 -0.26 0.37 0.00 0.00 175.52 176.07 3cma h PHE 65 N -0.07 0.49 0.17 3.16 0.05 0.14 -2.04 116.94 118.84 3cma h PHE 65 Ca 0.03 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 3cma h PHE 65 Cb 0.31 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.10 3cma h PHE 65 CO 0.02 0.26 -0.08 0.37 -0.18 0.00 0.00 178.31 178.70 3cma h GLN 66 N 0.48 -0.22 -1.24 1.51 4.15 -1.04 -1.61 115.11 117.14 3cma h GLN 66 Ca 0.25 0.01 0.38 0.00 0.77 0.00 0.00 58.65 60.07 3cma h GLN 66 Cb 0.37 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.99 3cma h GLN 66 CO -0.07 -0.14 0.80 0.77 -1.93 0.00 0.00 178.83 178.26 3cma h SER 67 N -0.25 0.29 -0.33 -0.69 0.02 -1.35 0.93 113.55 112.17 3cma h SER 67 Ca -0.02 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3cma h SER 67 Cb 0.17 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3cma h SER 67 CO 0.04 -0.10 0.11 0.45 -1.14 0.00 0.00 176.83 176.18 3cma h HIS 68 N 0.17 0.54 -0.14 3.45 3.86 -1.21 -0.57 115.15 121.25 3cma h HIS 68 Ca 0.75 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.83 3cma h HIS 68 Cb 2.27 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 30.58 3cma h HIS 68 CO -0.00 0.53 -0.21 0.82 0.86 0.00 0.00 177.93 179.92 3cma h ILE 69 N 0.39 1.36 -1.00 2.45 2.04 0.17 -2.21 117.51 120.72 3cma h ILE 69 Ca 0.11 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.58 3cma h ILE 69 Cb 0.25 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 3cma h ILE 69 CO -0.00 0.43 0.65 -0.33 0.00 0.00 0.00 178.15 178.89 3cma h GLU 70 N -0.00 1.17 -0.67 2.37 5.08 -0.65 -0.98 114.58 120.89 3cma h GLU 70 Ca 0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3cma h GLU 70 Cb 0.78 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3cma h GLU 70 CO 0.05 0.77 0.13 -0.91 -1.00 0.00 0.00 179.01 178.05 3cma h ASN 71 N 1.20 1.05 -0.96 1.42 2.35 -1.01 -1.25 115.58 118.38 3cma h ASN 71 Ca 0.42 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3cma h ASN 71 Cb 0.11 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 3cma h ASN 71 CO -0.15 1.04 0.63 0.24 -1.65 0.00 0.00 177.43 177.53 3cma h MET 72 N 1.03 1.27 0.37 0.81 2.86 -0.62 0.74 114.93 121.38 3cma h MET 72 Ca 0.21 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3cma h MET 72 Cb 0.42 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3cma h MET 72 CO 0.01 0.84 -0.26 0.74 1.06 0.00 0.00 176.91 179.30 3cma h PHE 73 N 1.30 -0.70 -0.26 -0.22 0.05 -0.65 -1.41 116.94 115.06 3cma h PHE 73 Ca 0.35 -0.00 0.04 0.00 3.82 0.00 0.00 57.97 62.18 3cma h PHE 73 Cb -0.14 0.26 -0.04 0.00 2.00 0.00 0.00 35.95 38.03 3cma h PHE 73 CO 0.00 -0.40 0.04 1.25 -0.18 0.00 0.00 178.31 179.02 3cma h HIS 74 N -0.62 0.06 -0.63 -0.55 2.76 -0.35 -2.76 115.15 113.06 3cma h HIS 74 Ca -0.03 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.24 3cma h HIS 74 Cb 0.53 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 3cma h HIS 74 CO -0.12 0.00 0.26 0.78 -1.30 0.00 0.00 177.93 177.55 3cma h GLY 75 N 0.13 0.90 2.00 5.26 0.00 0.72 0.92 103.07 112.99 3cma h GLY 75 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3cma h GLY 75 CO -0.17 0.01 0.00 -0.39 0.00 0.00 0.00 176.54 175.99 3cma h VAL 76 N 0.46 0.00 0.00 4.60 -1.51 -1.00 -1.59 116.25 117.20 3cma h VAL 76 Ca 0.31 -0.49 -0.11 0.00 -1.23 0.00 0.00 66.70 65.19 3cma h VAL 76 Cb 0.37 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 3cma h VAL 76 CO -0.29 0.00 -1.13 0.35 -1.23 0.00 0.00 177.57 175.27 3cma n THR 77 N -2.62 1.26 -1.56 7.19 -2.24 -0.95 -0.56 114.28 114.81 3cma n THR 77 Ca 0.03 0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 3cma n THR 77 Cb 0.34 -1.96 0.12 0.00 -2.10 0.00 0.00 70.33 66.74 3cma n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cma n GLU 78 N -4.01 2.52 0.00 -0.78 1.02 -1.26 -4.66 120.64 113.48 3cma n GLU 78 Ca -0.19 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.50 3cma n GLU 78 Cb 0.48 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 3cma n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cma n GLY 79 N -0.98 -2.32 3.50 0.62 0.00 0.28 -4.95 105.19 101.34 3cma n GLY 79 Ca 0.45 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3cma n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cma s TRP 80 N -2.95 2.67 -0.07 1.61 0.52 0.55 -4.69 118.94 116.58 3cma s TRP 80 Ca 0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 56.10 55.88 3cma s TRP 80 Cb 0.00 -1.51 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 3cma s TRP 80 CO 0.00 0.29 0.17 -1.21 0.02 0.00 0.00 176.95 176.22 3cma s GLU 81 N -1.41 0.18 -0.01 4.98 2.02 -1.26 -1.66 118.70 121.55 3cma s GLU 81 Ca 0.15 0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.49 3cma s GLU 81 Cb -0.11 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 3cma s GLU 81 CO 0.06 -0.06 -0.20 0.71 0.02 0.00 0.00 175.26 175.79 3cma s TYR 82 N 0.38 1.76 -0.15 1.61 1.51 0.12 -2.90 117.35 119.68 3cma s TYR 82 Ca -0.02 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 3cma s TYR 82 Cb -0.04 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 3cma s TYR 82 CO -0.02 -0.03 -0.02 0.20 -1.11 0.00 0.00 175.55 174.58 3cma s GLY 83 N -0.48 1.77 -0.05 0.71 0.00 0.54 -0.96 107.32 108.85 3cma s GLY 83 Ca 0.08 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 44.02 3cma s GLY 83 CO -0.01 -0.15 -0.14 1.06 0.00 0.00 0.00 173.10 173.87 3cma s MET 84 N 0.13 1.62 -0.11 2.90 -1.94 0.12 0.33 119.30 122.34 3cma s MET 84 Ca 0.00 -0.48 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 3cma s MET 84 Cb -0.13 -1.38 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 3cma s MET 84 CO 0.02 0.14 0.03 -1.21 -0.01 0.00 0.00 175.02 173.99 3cma s GLU 85 N 0.30 3.28 -0.56 2.03 2.02 -0.48 0.45 118.70 125.74 3cma s GLU 85 Ca -0.08 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.44 3cma s GLU 85 Cb -0.13 -2.94 0.14 0.00 0.10 0.00 0.00 34.13 31.31 3cma s GLU 85 CO 0.03 0.61 0.46 0.54 0.02 0.00 0.00 175.26 176.92 3cma s VAL 86 N -0.61 4.70 -0.12 2.63 0.11 -0.59 -0.82 120.40 125.69 3cma s VAL 86 Ca 0.11 -1.88 -0.07 0.00 -2.93 0.00 0.00 61.98 57.20 3cma s VAL 86 Cb -0.12 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 3cma s VAL 86 CO 0.02 -0.85 0.15 0.12 -3.33 0.00 0.00 175.10 171.21 3cma s PHE 87 N 1.17 3.60 -0.06 1.54 5.36 -0.98 -4.89 117.98 123.70 3cma s PHE 87 Ca 0.07 0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 56.47 3cma s PHE 87 Cb -0.25 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.50 3cma s PHE 87 CO -0.01 0.72 0.28 1.52 -1.46 0.00 0.00 175.22 176.27 3cma s TYR 88 N -0.98 -0.23 -0.20 10.12 -0.85 -1.26 -0.46 117.35 123.49 3cma s TYR 88 Ca 0.15 0.49 -0.16 0.00 -0.52 0.00 0.00 57.07 57.03 3cma s TYR 88 Cb -0.12 0.08 -0.08 0.00 0.38 0.00 0.00 41.96 42.22 3cma s TYR 88 CO 0.04 -0.25 -0.30 -1.13 -1.52 0.00 0.00 175.55 172.39 3cma n SER 89 N 2.19 1.93 -0.11 -0.18 3.41 -1.26 -4.90 113.62 114.70 3cma n SER 89 Ca -0.17 0.37 -0.21 0.00 -0.26 0.00 0.00 58.87 58.60 3cma n SER 89 Cb 0.57 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 3cma n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3cma n HIS 90 N -4.42 0.00 -3.43 7.33 -0.00 -1.26 -4.95 115.22 108.49 3cma n HIS 90 Ca -0.25 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.08 3cma n HIS 90 Cb 0.60 -0.82 -0.09 0.00 -0.00 0.00 0.00 29.99 29.67 3cma n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cma s PHE 91 N -2.42 3.23 -0.28 1.57 0.40 -1.26 -5.02 117.98 114.19 3cma s PHE 91 Ca -0.31 0.22 -0.28 0.00 -0.60 0.00 0.00 56.93 55.96 3cma s PHE 91 Cb 0.10 -2.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.02 3cma s PHE 91 CO 0.44 -0.28 2.17 -2.14 0.70 0.00 0.00 175.22 176.11 3cma s PRO 92 N 2.00 3.00 0.21 0.24 0.02 -1.26 -4.68 135.00 134.53 3cma s PRO 92 Ca 0.13 1.82 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 3cma s PRO 92 Cb -0.16 -4.38 -0.09 0.00 0.02 0.00 0.00 34.50 29.90 3cma s PRO 92 CO 0.11 -2.25 0.87 1.41 -0.33 0.00 0.00 177.00 176.81 3cma s MET 93 N 6.53 4.74 -0.23 5.54 1.75 -1.26 -4.76 119.30 131.61 3cma s MET 93 Ca 0.96 1.36 -0.02 0.00 -1.25 0.00 0.00 55.69 56.74 3cma s MET 93 Cb -0.29 -3.27 0.02 0.00 2.84 0.00 0.00 34.83 34.13 3cma s MET 93 CO 0.33 0.54 -0.09 -0.65 -0.65 0.00 0.00 175.02 174.51 3cma s GLN 94 N -1.17 3.00 -0.23 4.11 -0.21 -0.12 -4.96 119.66 120.10 3cma s GLN 94 Ca 0.39 -0.86 -0.04 0.00 0.02 0.00 0.00 55.36 54.87 3cma s GLN 94 Cb -0.25 -2.90 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 3cma s GLN 94 CO 0.30 -0.31 -0.04 0.08 -2.12 0.00 0.00 175.29 173.20 3cma s VAL 95 N 1.36 3.31 0.03 1.09 1.01 -1.26 -0.66 120.40 125.28 3cma s VAL 95 Ca 0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3cma s VAL 95 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3cma s VAL 95 CO -0.06 0.37 -0.01 0.20 0.00 0.00 0.00 175.10 175.60 3cma s ASN 96 N 1.45 0.31 -0.22 3.32 -0.87 -0.32 -4.97 114.94 113.64 3cma s ASN 96 Ca 0.05 -0.67 -0.16 0.00 -1.57 0.00 0.00 52.86 50.51 3cma s ASN 96 Cb -0.15 0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 41.19 3cma s ASN 96 CO -0.03 -0.42 0.40 -0.69 -2.57 0.00 0.00 177.10 173.78 3cma s VAL 97 N -2.41 5.18 -0.24 1.60 1.01 -1.26 0.59 120.40 124.88 3cma s VAL 97 Ca -0.07 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 3cma s VAL 97 Cb -0.03 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3cma s VAL 97 CO -0.04 0.22 0.03 -1.61 0.00 0.00 0.00 175.10 173.70 3cma s GLU 98 N 1.58 0.89 7.65 2.72 2.02 0.44 -4.96 118.70 129.04 3cma s GLU 98 Ca 0.18 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3cma s GLU 98 Cb -0.15 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3cma s GLU 98 CO 0.08 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.04 3cma n GLY 99 N 4.90 2.45 2.05 -1.39 0.00 -1.26 -2.93 105.19 109.02 3cma n GLY 99 Ca -0.08 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 3cma n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 100 N 8.38 5.63 -3.54 1.61 8.00 -1.26 -4.99 116.55 130.39 3cma n ASP 100 Ca 0.00 -3.77 -0.16 0.00 0.71 0.00 0.00 54.79 51.57 3cma n ASP 100 Cb 0.00 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 3cma n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3cma s GLU 101 N -3.65 1.05 -0.15 -1.24 -1.05 -1.15 0.74 118.70 113.26 3cma s GLU 101 Ca 0.55 0.03 -0.09 0.00 -0.15 0.00 0.00 54.97 55.32 3cma s GLU 101 Cb 0.44 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.58 3cma s GLU 101 CO 0.02 -0.36 0.15 0.14 0.95 0.00 0.00 175.26 176.16 3cma s VAL 102 N -1.78 5.45 -0.14 1.83 -7.23 -0.42 -0.42 120.40 117.69 3cma s VAL 102 Ca -0.09 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.31 3cma s VAL 102 Cb -0.01 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 3cma s VAL 102 CO 0.04 0.54 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.57 3cma s VAL 103 N -0.43 3.16 -0.19 1.32 1.01 0.20 -2.32 120.40 123.15 3cma s VAL 103 Ca 0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3cma s VAL 103 Cb -0.12 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3cma s VAL 103 CO 0.02 0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 3cma s ILE 104 N 0.51 3.16 0.13 2.22 1.01 0.56 -1.18 121.20 127.60 3cma s ILE 104 Ca -0.08 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.10 3cma s ILE 104 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3cma s ILE 104 CO 0.04 0.46 -0.24 -1.61 0.00 0.00 0.00 174.94 173.59 3cma s GLU 105 N 1.17 1.51 -0.73 2.79 2.02 0.17 -0.87 118.70 124.75 3cma s GLU 105 Ca 0.02 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.71 3cma s GLU 105 Cb -0.14 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3cma s GLU 105 CO -0.02 0.46 0.00 -1.71 0.02 0.00 0.00 175.26 174.01 3cma n ASN 106 N 0.88 -4.03 -4.67 -0.19 4.05 -1.24 -0.94 115.26 109.10 3cma n ASN 106 Ca -0.17 0.17 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 3cma n ASN 106 Cb 0.53 -2.14 -0.03 0.00 1.23 0.00 0.00 39.78 39.37 3cma n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3cma s PHE 107 N -2.19 1.63 -1.54 1.20 5.36 -1.26 -0.63 117.98 120.55 3cma s PHE 107 Ca 0.00 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 3cma s PHE 107 Cb 0.00 -4.22 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 3cma s PHE 107 CO 0.00 -5.30 0.00 1.28 -1.46 0.00 0.00 175.22 169.74 3cma n LEU 108 N 6.79 -1.24 -0.35 6.12 4.32 -1.26 -0.91 117.00 130.47 3cma n LEU 108 Ca 0.19 0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 56.44 3cma n LEU 108 Cb 0.40 -2.32 -0.01 0.00 -1.62 0.00 0.00 43.42 39.87 3cma n LEU 108 CO 0.67 -0.59 -0.04 0.61 -1.22 0.00 0.00 177.39 176.81 3cma n GLY 109 N -0.49 0.43 3.80 -0.72 0.00 0.20 -5.00 105.19 103.41 3cma n GLY 109 Ca -0.17 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3cma n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 110 N -3.29 4.00 -0.14 1.61 2.02 -0.09 -4.97 118.70 117.85 3cma s GLU 110 Ca 0.00 1.31 -0.28 0.00 0.02 0.00 0.00 54.97 56.01 3cma s GLU 110 Cb 0.00 -2.20 -0.26 0.00 0.10 0.00 0.00 34.13 31.77 3cma s GLU 110 CO 0.00 -0.25 0.77 0.87 0.02 0.00 0.00 175.26 176.67 3cma h LYS 111 N 1.84 0.02 -6.39 1.61 1.57 -1.96 -3.30 116.57 109.96 3cma h LYS 111 Ca -0.49 -0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.72 3cma h LYS 111 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3cma h LYS 111 CO 0.60 1.01 0.86 0.00 -0.57 0.00 0.00 179.45 181.35 3cma s ALA 112 N -2.23 3.60 0.27 3.86 0.00 -1.26 -4.80 121.76 121.19 3cma s ALA 112 Ca -0.19 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3cma s ALA 112 Cb -0.03 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 3cma s ALA 112 CO 0.70 -0.94 1.16 -2.14 0.00 0.00 0.00 175.76 174.54 3cma s PRO 113 N 2.41 4.55 0.13 0.00 0.02 -1.26 -4.79 135.00 136.06 3cma s PRO 113 Ca 0.65 1.90 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 3cma s PRO 113 Cb -0.33 -3.18 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 3cma s PRO 113 CO 0.27 0.06 0.40 1.03 -0.33 0.00 0.00 177.00 178.44 3cma s ARG 114 N -1.21 3.68 -0.01 5.54 0.52 -0.05 -4.95 118.95 122.48 3cma s ARG 114 Ca 0.47 0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.43 3cma s ARG 114 Cb -0.34 -2.87 0.08 0.00 0.52 0.00 0.00 34.95 32.34 3cma s ARG 114 CO 0.42 0.48 0.73 -0.98 0.02 0.00 0.00 175.30 175.97 3cma s ARG 115 N -2.43 1.01 0.02 3.54 1.70 -1.26 -0.32 118.95 121.21 3cma s ARG 115 Ca 0.39 0.02 -0.02 0.00 -0.47 0.00 0.00 55.73 55.64 3cma s ARG 115 Cb -0.13 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 3cma s ARG 115 CO 0.22 -0.36 0.02 -0.08 -1.08 0.00 0.00 175.30 174.02 3cma s THR 116 N -1.96 0.12 0.18 4.99 -1.32 -0.98 -5.01 115.64 111.66 3cma s THR 116 Ca -0.05 -0.98 -0.17 0.00 -1.21 0.00 0.00 61.69 59.27 3cma s THR 116 Cb -0.00 -0.51 -0.08 0.00 -1.51 0.00 0.00 72.50 70.40 3cma s THR 116 CO 0.01 -0.54 0.65 -0.89 -2.21 0.00 0.00 174.62 171.64 3cma s THR 117 N -1.85 4.69 0.07 5.08 2.01 -1.26 -1.30 115.64 123.08 3cma s THR 117 Ca -0.12 1.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 3cma s THR 117 Cb -0.06 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 3cma s THR 117 CO -0.02 0.24 0.79 -0.63 -0.69 0.00 0.00 174.62 174.31 3cma s ILE 118 N -1.48 4.66 0.39 1.82 1.01 0.23 -4.89 121.20 122.94 3cma s ILE 118 Ca 0.40 1.69 -0.12 0.00 0.00 0.00 0.00 60.65 62.62 3cma s ILE 118 Cb -0.16 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 3cma s ILE 118 CO 0.20 0.38 0.78 -1.00 0.00 0.00 0.00 174.94 175.30 3cma s HIS 119 N -0.17 3.44 0.00 3.97 3.76 -1.26 -4.86 115.29 120.16 3cma s HIS 119 Ca 0.39 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 3cma s HIS 119 Cb -0.21 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 30.98 3cma s HIS 119 CO 0.24 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 3cma n GLY 120 N -1.07 1.82 1.26 -2.22 0.00 -1.26 -2.45 105.19 101.26 3cma n GLY 120 Ca 0.03 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.80 3cma n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 121 N -1.15 3.65 -4.59 1.61 8.00 -1.26 -4.99 116.55 117.82 3cma n ASP 121 Ca 0.00 -2.03 -0.47 0.00 0.71 0.00 0.00 54.79 53.00 3cma n ASP 121 Cb 0.00 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 3cma n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cma n THR 122 N 1.43 1.29 -3.99 -3.53 -1.04 -1.03 -4.92 114.28 102.49 3cma n THR 122 Ca 0.23 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.05 61.56 3cma n THR 122 Cb 0.59 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 68.00 3cma n THR 122 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3cma s ASP 123 N -0.17 4.84 -0.29 8.00 1.01 0.11 -4.88 116.67 125.30 3cma s ASP 123 Ca 0.67 -0.22 -0.08 0.00 0.71 0.00 0.00 52.55 53.64 3cma s ASP 123 Cb -0.78 -1.84 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3cma s ASP 123 CO 0.55 0.04 0.09 -0.69 0.21 0.00 0.00 175.17 175.36 3cma s VAL 124 N 1.17 4.19 -0.13 -1.27 1.01 -1.26 -2.25 120.40 121.86 3cma s VAL 124 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3cma s VAL 124 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3cma s VAL 124 CO 0.02 0.14 -0.21 -1.61 0.00 0.00 0.00 175.10 173.44 3cma s GLU 125 N 1.55 2.90 -0.08 2.72 2.02 -0.98 -4.91 118.70 121.92 3cma s GLU 125 Ca 0.04 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3cma s GLU 125 Cb -0.17 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 3cma s GLU 125 CO 0.04 -0.01 0.03 -1.50 0.02 0.00 0.00 175.26 173.84 3cma s ILE 126 N 0.81 4.55 -0.33 -1.63 2.07 -1.26 -0.33 121.20 125.08 3cma s ILE 126 Ca -0.08 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3cma s ILE 126 Cb -0.16 -2.94 0.12 0.00 0.13 0.00 0.00 42.46 39.61 3cma s ILE 126 CO -0.01 0.58 0.16 -0.62 -1.91 0.00 0.00 174.94 173.14 3cma s ASP 127 N -0.99 3.44 1.92 4.50 -1.08 0.30 -4.98 116.67 119.78 3cma s ASP 127 Ca 0.14 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.37 3cma s ASP 127 Cb -0.11 -0.53 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 3cma s ASP 127 CO 0.04 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.96 3cma n GLY 128 N 4.57 3.37 0.28 2.66 0.00 -1.26 -1.04 105.19 113.77 3cma n GLY 128 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3cma n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 129 N 13.84 1.12 -5.11 1.61 -0.58 -1.26 -4.80 120.64 125.45 3cma n GLU 129 Ca 0.00 -0.13 -0.29 0.00 -0.42 0.00 0.00 57.16 56.32 3cma n GLU 129 Cb 0.00 -1.25 -0.16 0.00 -0.57 0.00 0.00 31.44 29.46 3cma n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3cma s GLU 130 N -1.56 1.89 -0.01 3.49 2.02 -0.21 -1.55 118.70 122.76 3cma s GLU 130 Ca 0.02 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 54.15 3cma s GLU 130 Cb 0.01 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 3cma s GLU 130 CO 0.01 0.51 -0.15 -0.51 0.02 0.00 0.00 175.26 175.13 3cma s LEU 131 N -0.72 2.02 -0.20 1.80 1.43 0.17 0.11 118.68 123.29 3cma s LEU 131 Ca 0.10 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3cma s LEU 131 Cb -0.09 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.39 3cma s LEU 131 CO -0.00 0.19 0.00 0.28 0.23 0.00 0.00 176.35 177.05 3cma s THR 132 N -0.35 0.88 -0.07 5.49 -1.32 0.55 0.14 115.64 120.96 3cma s THR 132 Ca 0.06 -0.77 -0.16 0.00 -1.21 0.00 0.00 61.69 59.61 3cma s THR 132 Cb -0.06 -1.29 -0.05 0.00 -1.51 0.00 0.00 72.50 69.59 3cma s THR 132 CO -0.01 -0.15 0.42 -0.69 -2.21 0.00 0.00 174.62 171.98 3cma s VAL 133 N 1.70 5.13 0.15 5.08 1.01 -0.14 -2.32 120.40 131.01 3cma s VAL 133 Ca -0.02 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 62.59 3cma s VAL 133 Cb -0.17 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.52 3cma s VAL 133 CO -0.07 0.45 0.54 -0.94 0.00 0.00 0.00 175.10 175.08 3cma s SER 134 N -0.18 -0.47 0.00 3.32 1.04 -0.96 0.11 113.70 116.57 3cma s SER 134 Ca 0.23 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3cma s SER 134 Cb -0.16 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3cma s SER 134 CO 0.11 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3cma n GLY 135 N -0.33 -0.41 0.12 7.32 0.00 -0.66 -0.72 105.19 110.50 3cma n GLY 135 Ca -0.17 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.48 3cma n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cma h PRO 136 N 0.00 0.31 -6.29 1.61 0.13 -1.82 0.16 132.00 126.09 3cma h PRO 136 Ca 0.00 -0.53 -0.57 0.00 -0.87 0.00 0.00 66.00 64.03 3cma h PRO 136 Cb 0.00 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 31.23 3cma h PRO 136 CO 0.00 1.22 0.86 0.34 -0.23 0.00 0.00 178.00 180.19 3cma s ASP 137 N -7.16 6.36 0.61 1.44 -1.08 -1.26 -4.25 116.67 111.33 3cma s ASP 137 Ca -0.07 -0.17 0.34 0.00 -0.52 0.00 0.00 52.55 52.13 3cma s ASP 137 Cb 0.06 -2.52 2.01 0.00 -1.46 0.00 0.00 42.92 41.02 3cma s ASP 137 CO 0.88 -1.47 2.29 -0.29 0.52 0.00 0.00 175.17 177.10 3cma h ILE 138 N 6.09 0.37 0.56 4.11 2.10 -1.91 -1.99 117.51 126.84 3cma h ILE 138 Ca -0.26 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.65 3cma h ILE 138 Cb 1.06 1.00 0.01 0.00 -1.09 0.00 0.00 36.82 37.79 3cma h ILE 138 CO 1.18 0.00 -0.27 -0.33 -1.08 0.00 0.00 178.15 177.65 3cma h GLU 139 N 0.00 -0.73 -0.93 2.19 4.39 -1.98 0.30 114.58 117.82 3cma h GLU 139 Ca 0.00 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.84 3cma h GLU 139 Cb 0.01 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 3cma h GLU 139 CO -0.00 -0.48 0.58 0.00 -1.16 0.00 0.00 179.01 177.95 3cma h ALA 140 N -1.31 1.34 0.35 3.43 0.00 -1.86 0.18 119.26 121.39 3cma h ALA 140 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cma h ALA 140 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3cma h ALA 140 CO 0.13 0.27 -0.17 0.28 0.00 0.00 0.00 179.25 179.75 3cma h VAL 141 N 0.99 0.55 -0.65 0.00 2.07 -1.44 -0.46 116.25 117.32 3cma h VAL 141 Ca 0.43 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3cma h VAL 141 Cb 0.31 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3cma h VAL 141 CO -0.22 0.10 0.43 1.23 0.02 0.00 0.00 177.57 179.14 3cma h GLY 142 N -0.89 0.67 0.53 2.17 0.00 -0.65 0.76 103.07 105.67 3cma h GLY 142 Ca -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3cma h GLY 142 CO 0.08 0.11 -0.07 1.46 0.00 0.00 0.00 176.54 178.12 3cma h GLN 143 N 0.47 0.12 -0.50 4.80 1.08 -0.61 -1.40 115.11 119.07 3cma h GLN 143 Ca 0.30 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.48 3cma h GLN 143 Cb 0.55 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 3cma h GLN 143 CO -0.09 0.65 0.23 1.15 -0.95 0.00 0.00 178.83 179.82 3cma h THR 144 N -0.40 0.92 0.58 -0.54 2.02 -0.32 1.48 112.91 116.66 3cma h THR 144 Ca 0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3cma h THR 144 Cb 0.64 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3cma h THR 144 CO 0.02 0.08 -0.43 0.00 0.37 0.00 0.00 175.52 175.56 3cma h ALA 145 N 1.29 -1.03 -0.46 6.16 0.00 -0.89 0.10 119.26 124.44 3cma h ALA 145 Ca 0.22 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3cma h ALA 145 Cb 0.17 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3cma h ALA 145 CO -0.18 -1.10 0.01 0.00 0.00 0.00 0.00 179.25 177.97 3cma h ALA 146 N -0.73 0.43 -0.57 0.00 0.00 -0.56 -1.15 119.26 116.68 3cma h ALA 146 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3cma h ALA 146 Cb 0.82 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3cma h ALA 146 CO 0.03 -0.38 0.33 -0.44 0.00 0.00 0.00 179.25 178.79 3cma h ASP 147 N 0.12 0.53 -0.46 0.00 3.32 0.24 0.18 116.42 120.34 3cma h ASP 147 Ca 0.23 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3cma h ASP 147 Cb 0.33 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3cma h ASP 147 CO -0.37 0.36 0.13 0.40 -1.72 0.00 0.00 179.24 178.04 3cma h ILE 148 N 0.65 0.80 -0.51 0.35 2.04 0.40 0.15 117.51 121.39 3cma h ILE 148 Ca 0.24 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.91 3cma h ILE 148 Cb 0.07 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3cma h ILE 148 CO -0.12 0.05 -0.05 -0.08 0.00 0.00 0.00 178.15 177.95 3cma h GLU 149 N 0.29 0.93 0.00 2.37 4.81 -0.64 -2.45 114.58 119.89 3cma h GLU 149 Ca 0.22 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3cma h GLU 149 Cb 0.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3cma h GLU 149 CO -0.26 0.98 -0.05 1.96 -0.73 0.00 0.00 179.01 180.91 3cma h GLN 150 N 0.79 0.00 0.00 1.92 1.08 0.18 -2.18 115.11 116.91 3cma h GLN 150 Ca 0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3cma h GLN 150 Cb 0.59 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3cma h GLN 150 CO 0.04 0.05 -0.02 1.25 -0.95 0.00 0.00 178.83 179.20 3cma h LEU 151 N 0.00 0.00 -3.47 1.46 5.85 -0.23 -1.45 115.31 117.46 3cma h LEU 151 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3cma h LEU 151 Cb 0.13 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3cma h LEU 151 CO 0.01 0.02 0.08 0.35 -0.34 0.00 0.00 178.44 178.56 3cma n THR 152 N -3.59 2.61 -1.99 1.05 -2.24 -0.82 -4.96 114.28 104.34 3cma n THR 152 Ca -0.03 -1.90 -0.41 0.00 -2.27 0.00 0.00 64.05 59.45 3cma n THR 152 Cb 0.10 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 3cma n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3cma s ARG 153 N -2.95 4.25 -0.14 -0.78 3.52 -0.55 -4.83 118.95 117.47 3cma s ARG 153 Ca 0.48 2.34 0.01 0.00 -0.13 0.00 0.00 55.73 58.44 3cma s ARG 153 Cb 0.39 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.73 3cma s ARG 153 CO 0.10 -0.40 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.53 3cma s ILE 154 N -0.42 1.62 -0.23 4.11 2.07 -1.26 -5.01 121.20 122.07 3cma s ILE 154 Ca 0.56 -0.69 -0.12 0.00 -1.41 0.00 0.00 60.65 59.00 3cma s ILE 154 Cb -0.43 -1.49 -0.10 0.00 0.13 0.00 0.00 42.46 40.57 3cma s ILE 154 CO 0.49 0.47 -0.30 0.59 -1.91 0.00 0.00 174.94 174.27 3cma n ASN 155 N 4.49 1.65 -0.26 4.50 3.02 -1.26 -4.73 115.26 122.67 3cma n ASN 155 Ca -0.18 0.28 0.07 0.00 -0.03 0.00 0.00 54.58 54.72 3cma n ASN 155 Cb 0.51 -0.69 0.20 0.00 -0.61 0.00 0.00 39.78 39.19 3cma n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3cma h ASP 156 N -0.83 -0.11 -1.09 6.41 2.03 -2.05 -3.45 116.42 117.33 3cma h ASP 156 Ca -0.60 0.18 -0.57 0.00 -0.73 0.00 0.00 57.03 55.31 3cma h ASP 156 Cb 1.52 0.26 -0.06 0.00 -0.83 0.00 0.00 39.33 40.22 3cma h ASP 156 CO -0.36 -0.12 -0.40 -0.54 -1.03 0.00 0.00 179.24 176.79 3cma s LYS 157 N -6.04 2.29 -0.28 4.15 1.02 -1.26 -5.07 119.74 114.55 3cma s LYS 157 Ca -0.13 -1.90 -0.29 0.00 0.02 0.00 0.00 55.97 53.68 3cma s LYS 157 Cb 0.23 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 3cma s LYS 157 CO 0.76 -0.34 1.68 0.34 -0.92 0.00 0.00 175.35 176.87 3cma s ASP 158 N -4.09 6.16 0.41 2.83 -1.08 -1.26 -4.90 116.67 114.75 3cma s ASP 158 Ca 0.37 1.43 0.08 0.00 -0.52 0.00 0.00 52.55 53.91 3cma s ASP 158 Cb 0.00 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 39.80 3cma s ASP 158 CO 0.21 -1.47 2.05 0.58 0.52 0.00 0.00 175.17 177.07 3cma h VAL 159 N 6.46 1.11 -0.02 1.11 2.07 -1.89 -1.75 116.25 123.34 3cma h VAL 159 Ca -0.33 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3cma h VAL 159 Cb 1.16 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3cma h VAL 159 CO 1.02 0.11 0.07 0.03 0.02 0.00 0.00 177.57 178.82 3cma h ARG 160 N 0.49 0.00 0.00 1.57 3.08 -2.01 -2.95 114.38 114.56 3cma h ARG 160 Ca 0.13 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.82 3cma h ARG 160 Cb -0.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 3cma h ARG 160 CO -0.02 0.00 -2.30 0.28 -1.07 0.00 0.00 179.97 176.85 3cma n VAL 161 N -3.29 1.30 -3.43 2.04 0.31 -0.73 -4.82 118.33 109.71 3cma n VAL 161 Ca -0.02 -0.45 -0.44 0.00 -0.01 0.00 0.00 64.34 63.42 3cma n VAL 161 Cb 0.15 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.56 3cma n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3cma s PHE 162 N -2.45 3.33 -1.23 3.52 0.40 -0.77 -4.89 117.98 115.89 3cma s PHE 162 Ca -0.31 -1.54 0.10 0.00 -0.60 0.00 0.00 56.93 54.58 3cma s PHE 162 Cb 0.09 -3.62 0.07 0.00 0.51 0.00 0.00 43.02 40.07 3cma s PHE 162 CO 0.49 -1.00 0.80 1.04 0.70 0.00 0.00 175.22 177.25 3cma n GLN 163 N 5.09 0.65 -1.00 0.44 6.02 -1.25 -4.49 117.38 122.84 3cma n GLN 163 Ca -0.11 -1.04 -0.35 0.00 -0.01 0.00 0.00 57.00 55.48 3cma n GLN 163 Cb 0.41 -1.18 0.07 0.00 1.02 0.00 0.00 30.24 30.55 3cma n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3cma n ASP 164 N 0.47 -3.80 0.00 1.08 9.92 -1.26 -4.87 116.55 118.08 3cma n ASP 164 Ca 0.06 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 3cma n ASP 164 Cb 0.25 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 3cma n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cma n GLY 165 N 2.47 3.68 3.81 0.44 0.00 0.39 -4.97 105.19 111.02 3cma n GLY 165 Ca 0.04 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 3cma n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 166 N -2.51 4.86 0.12 1.61 1.01 -1.26 -2.32 120.40 121.91 3cma s VAL 166 Ca 0.00 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.13 3cma s VAL 166 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3cma s VAL 166 CO 0.00 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.18 3cma s TYR 167 N -0.96 1.47 -0.10 5.22 1.51 -0.00 -4.33 117.35 120.17 3cma s TYR 167 Ca 0.27 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 3cma s TYR 167 Cb -0.18 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3cma s TYR 167 CO 0.17 0.17 1.22 0.42 -1.11 0.00 0.00 175.55 176.41 3cma s ILE 168 N -1.96 4.27 -0.27 2.71 -1.09 -1.26 -1.38 121.20 122.22 3cma s ILE 168 Ca 0.09 1.58 -0.10 0.00 -2.23 0.00 0.00 60.65 59.98 3cma s ILE 168 Cb -0.06 -4.02 -0.14 0.00 -1.58 0.00 0.00 42.46 36.67 3cma s ILE 168 CO 0.04 -0.05 -0.28 0.41 -1.23 0.00 0.00 174.94 173.82 3cma n THR 169 N 4.89 1.53 -4.80 2.92 -1.04 1.01 -4.90 114.28 113.88 3cma n THR 169 Ca 0.12 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.05 61.45 3cma n THR 169 Cb 0.46 -1.78 -0.16 0.00 -1.82 0.00 0.00 70.33 67.03 3cma n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3cma s ARG 170 N -2.51 1.95 -0.09 -2.82 0.52 -0.59 -4.91 118.95 110.51 3cma s ARG 170 Ca -0.37 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.28 3cma s ARG 170 Cb 0.13 -1.61 -0.02 0.00 0.52 0.00 0.00 34.95 33.96 3cma s ARG 170 CO 0.53 0.15 -0.13 0.15 0.02 0.00 0.00 175.30 176.02 3cma s LYS 171 N 0.32 2.92 0.00 3.54 1.02 -1.26 -0.34 119.74 125.94 3cma s LYS 171 Ca -0.10 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.21 3cma s LYS 171 Cb -0.14 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3cma s LYS 171 CO 0.04 0.45 0.49 -0.35 -0.92 0.00 0.00 175.35 175.05