#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 3.94 0.54 0.00 0.52 -1.26 -4.98 118.95 117.71 3cma s ARG 2 Ca 0.00 2.43 -0.16 0.00 -0.52 0.00 0.00 55.73 57.47 3cma s ARG 2 Cb 0.00 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.58 3cma s ARG 2 CO 0.00 -0.62 1.01 -1.54 0.02 0.00 0.00 175.30 174.17 3cma s SER 3 N -0.40 6.35 0.38 0.23 1.04 -1.26 -4.92 113.70 115.13 3cma s SER 3 Ca 0.56 1.66 0.07 0.00 0.48 0.00 0.00 55.95 58.72 3cma s SER 3 Cb -0.44 -2.52 0.80 0.00 0.10 0.00 0.00 66.02 63.97 3cma s SER 3 CO 0.58 -0.77 1.99 0.00 0.98 0.00 0.00 173.24 176.01 3cma h ALA 4 N 0.79 1.75 -0.27 5.32 0.00 -2.03 -1.78 119.26 123.04 3cma h ALA 4 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3cma h ALA 4 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3cma h ALA 4 CO 0.60 0.16 0.16 1.88 0.00 0.00 0.00 179.25 182.06 3cma h TYR 5 N 0.67 0.35 -1.24 0.00 -1.99 -2.01 -2.46 116.97 110.29 3cma h TYR 5 Ca 0.27 0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.36 3cma h TYR 5 Cb 0.22 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.78 3cma h TYR 5 CO -0.00 0.25 1.12 0.66 -0.00 0.00 0.00 178.16 180.19 3cma h SER 6 N 0.34 0.00 0.74 3.88 4.64 -1.69 0.75 113.55 122.21 3cma h SER 6 Ca 0.10 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3cma h SER 6 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3cma h SER 6 CO -0.02 0.00 -0.90 1.88 -0.87 0.00 0.00 176.83 176.92 3cma h TYR 7 N 0.00 0.15 -0.04 4.77 -1.99 -1.52 -1.40 116.97 116.94 3cma h TYR 7 Ca 0.59 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 61.21 3cma h TYR 7 Cb 2.82 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 41.53 3cma h TYR 7 CO 0.00 0.94 -0.04 0.82 -0.00 0.00 0.00 178.16 179.88 3cma h ILE 8 N 0.05 1.39 -0.38 -2.88 2.04 0.39 -2.51 117.51 115.60 3cma h ILE 8 Ca -0.03 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.66 3cma h ILE 8 Cb 1.55 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 39.71 3cma h ILE 8 CO 0.13 0.33 -0.01 -0.09 0.00 0.00 0.00 178.15 178.51 3cma h ARG 9 N -0.38 0.09 0.00 2.37 2.43 -1.44 -0.70 114.38 116.75 3cma h ARG 9 Ca 0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3cma h ARG 9 Cb 0.56 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3cma h ARG 9 CO 0.01 0.06 -0.21 0.22 -1.51 0.00 0.00 179.97 178.54 3cma h ASP 10 N 0.09 0.00 -0.28 -3.80 1.82 -1.28 -2.18 116.42 110.80 3cma h ASP 10 Ca 0.19 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.75 3cma h ASP 10 Cb 0.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 3cma h ASP 10 CO -0.32 0.21 -0.11 0.00 -1.61 0.00 0.00 179.24 177.41 3cma h ALA 11 N 1.79 0.38 0.00 -0.78 0.00 -0.70 -3.04 119.26 116.91 3cma h ALA 11 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3cma h ALA 11 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3cma h ALA 11 CO 0.03 0.24 0.00 0.91 0.00 0.00 0.00 179.25 180.43 3cma n TRP 12 N -4.46 0.00 0.27 0.00 7.02 -0.61 -2.96 117.44 116.69 3cma n TRP 12 Ca -0.04 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.57 3cma n TRP 12 Cb 0.35 -0.31 0.74 0.00 -2.42 0.00 0.00 31.31 29.67 3cma n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3cma h LYS 13 N 0.00 0.00 -2.25 -0.99 1.57 -1.29 -3.28 116.57 110.33 3cma h LYS 13 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3cma h LYS 13 Cb 0.28 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.19 3cma h LYS 13 CO 0.00 0.10 -0.93 0.09 -0.57 0.00 0.00 179.45 178.14 3cma n ASN 14 N -3.74 0.81 0.00 0.86 3.02 -1.16 -4.97 115.26 110.09 3cma n ASN 14 Ca -0.02 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 3cma n ASN 14 Cb 0.21 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 3cma n ASN 14 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3cma n PRO 15 N 1.82 0.00 -0.07 3.52 -0.04 -1.24 -2.11 135.00 136.87 3cma n PRO 15 Ca 0.25 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 3cma n PRO 15 Cb 0.48 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.54 3cma n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cma n GLY 16 N -1.08 0.87 3.44 0.55 0.00 -1.26 -3.91 105.19 103.80 3cma n GLY 16 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 3cma n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 17 N -1.09 3.33 0.85 1.61 1.01 -0.90 -4.72 116.67 116.76 3cma s ASP 17 Ca 0.20 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.42 3cma s ASP 17 Cb 0.12 -0.26 0.00 0.00 1.01 0.00 0.00 42.92 43.80 3cma s ASP 17 CO 0.18 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3cma n GLY 18 N -0.57 0.71 0.29 0.21 0.00 -1.26 -3.17 105.19 101.40 3cma n GLY 18 Ca -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 3cma n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cma h GLN 19 N 0.00 0.95 -0.78 1.61 4.20 -1.98 -2.00 115.11 117.11 3cma h GLN 19 Ca 0.00 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.79 3cma h GLN 19 Cb 0.00 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.51 3cma h GLN 19 CO 0.00 0.63 0.52 1.25 -0.67 0.00 0.00 178.83 180.56 3cma h LEU 20 N 0.98 0.47 -0.24 1.46 5.85 -1.90 0.36 115.31 122.29 3cma h LEU 20 Ca 0.28 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.07 3cma h LEU 20 Cb -0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3cma h LEU 20 CO -0.08 0.25 0.02 0.00 -0.34 0.00 0.00 178.44 178.28 3cma h ALA 21 N 1.63 0.23 -0.16 1.25 0.00 -1.31 1.00 119.26 121.90 3cma h ALA 21 Ca 0.38 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.13 3cma h ALA 21 Cb 0.78 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3cma h ALA 21 CO -0.14 -0.40 -0.78 1.49 0.00 0.00 0.00 179.25 179.42 3cma h GLU 22 N 0.10 0.81 -0.62 0.00 4.81 -0.97 -2.00 114.58 116.70 3cma h GLU 22 Ca 0.11 -0.66 0.09 0.00 -0.13 0.00 0.00 59.36 58.77 3cma h GLU 22 Cb 0.13 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3cma h GLU 22 CO -0.18 1.26 0.26 -0.07 -0.73 0.00 0.00 179.01 179.56 3cma h LEU 23 N 0.55 0.31 -0.01 1.64 3.38 -0.05 -0.34 115.31 120.79 3cma h LEU 23 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cma h LEU 23 Cb 1.41 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3cma h LEU 23 CO 0.16 0.18 -0.00 1.56 0.09 0.00 0.00 178.44 180.43 3cma h GLN 24 N 0.47 0.02 -0.99 1.13 1.08 -0.79 -0.68 115.11 115.35 3cma h GLN 24 Ca 0.31 -0.01 0.21 0.00 -1.45 0.00 0.00 58.65 57.71 3cma h GLN 24 Cb 0.34 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.67 3cma h GLN 24 CO -0.27 0.36 0.62 2.35 -0.95 0.00 0.00 178.83 180.93 3cma h TRP 25 N -0.33 0.89 0.12 2.96 7.01 -0.90 -1.87 115.95 123.84 3cma h TRP 25 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3cma h TRP 25 Cb 0.35 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3cma h TRP 25 CO 0.04 0.18 -0.06 1.96 -2.79 0.00 0.00 178.44 177.77 3cma h GLN 26 N 0.62 -0.16 -0.74 2.65 4.20 -0.89 -3.38 115.11 117.41 3cma h GLN 26 Ca 0.56 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.35 3cma h GLN 26 Cb 1.07 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 3cma h GLN 26 CO -0.33 -0.11 -0.45 0.00 -0.67 0.00 0.00 178.83 177.28 3cma h ARG 27 N -0.32 -0.01 -1.44 1.46 3.08 -0.77 -2.04 114.38 114.34 3cma h ARG 27 Ca -0.02 0.00 0.48 0.00 0.07 0.00 0.00 59.98 60.52 3cma h ARG 27 Cb 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.05 3cma h ARG 27 CO 0.03 -0.01 0.95 1.04 -1.07 0.00 0.00 179.97 180.91 3cma n GLN 28 N -4.71 -0.03 -0.20 0.04 6.02 -0.73 0.12 117.38 117.89 3cma n GLN 28 Ca 0.01 1.20 -0.04 0.00 -0.01 0.00 0.00 57.00 58.17 3cma n GLN 28 Cb 0.20 -2.42 0.06 0.00 1.02 0.00 0.00 30.24 29.10 3cma n GLN 28 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3cma h GLN 29 N 0.00 0.66 -0.07 -1.09 4.20 -1.53 0.30 115.11 117.58 3cma h GLN 29 Ca 0.87 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 59.30 3cma h GLN 29 Cb 2.93 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 30.57 3cma h GLN 29 CO -0.39 0.43 -0.90 0.93 -0.67 0.00 0.00 178.83 178.24 3cma h GLU 30 N 0.68 0.70 -0.94 1.46 5.08 0.86 -3.23 114.58 119.18 3cma h GLU 30 Ca 0.25 -0.65 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 3cma h GLU 30 Cb 0.07 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3cma h GLU 30 CO -0.13 1.25 0.62 -1.49 -1.00 0.00 0.00 179.01 178.27 3cma h TRP 31 N 0.44 1.18 0.00 4.33 4.06 -0.74 -0.93 115.95 124.29 3cma h TRP 31 Ca -0.08 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.89 3cma h TRP 31 Cb 1.53 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 3cma h TRP 31 CO 0.09 0.72 0.00 0.00 -3.56 0.00 0.00 178.44 175.69 3cma h ARG 32 N 1.26 0.00 -0.41 0.49 3.08 -0.43 -0.05 114.38 118.31 3cma h ARG 32 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3cma h ARG 32 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3cma h ARG 32 CO -0.09 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.90 3cma n ASN 33 N -2.64 3.50 -5.00 7.04 3.02 -0.38 -4.95 115.26 115.86 3cma n ASN 33 Ca -0.01 -1.99 -0.18 0.00 -0.03 0.00 0.00 54.58 52.37 3cma n ASN 33 Cb 0.15 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3cma n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3cma s GLU 34 N -1.44 2.71 0.00 3.52 2.02 -0.03 -5.09 118.70 120.39 3cma s GLU 34 Ca 0.39 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3cma s GLU 34 Cb 0.23 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3cma s GLU 34 CO 0.31 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.58 3cma n GLY 35 N -1.99 -1.76 0.09 -1.39 0.00 -1.26 -4.96 105.19 93.91 3cma n GLY 35 Ca 0.09 -1.33 0.01 0.00 0.00 0.00 0.00 46.02 44.79 3cma n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 36 N -3.00 2.04 -3.46 4.61 0.00 -1.26 -4.70 120.51 114.74 3cma n ALA 36 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 3cma n ALA 36 Cb 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3cma n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cma s VAL 37 N -2.99 -0.31 -0.27 0.00 1.01 -1.26 -2.81 120.40 113.77 3cma s VAL 37 Ca -0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3cma s VAL 37 Cb 0.09 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3cma s VAL 37 CO 0.82 -0.45 0.04 -1.61 0.00 0.00 0.00 175.10 173.90 3cma s GLU 38 N 2.29 3.13 0.41 2.72 0.41 -0.53 -4.94 118.70 122.20 3cma s GLU 38 Ca 0.08 -0.82 -0.25 0.00 -0.41 0.00 0.00 54.97 53.58 3cma s GLU 38 Cb -0.15 -3.24 -0.08 0.00 -1.78 0.00 0.00 34.13 28.88 3cma s GLU 38 CO -0.28 -0.38 1.22 0.50 -0.49 0.00 0.00 175.26 175.83 3cma s ARG 39 N 1.47 3.96 0.07 1.61 3.52 -1.26 -0.57 118.95 127.75 3cma s ARG 39 Ca 0.03 1.94 0.06 0.00 -0.13 0.00 0.00 55.73 57.63 3cma s ARG 39 Cb -0.16 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 3cma s ARG 39 CO 0.00 -0.43 -0.15 0.96 -0.81 0.00 0.00 175.30 174.87 3cma s ILE 40 N -1.38 1.20 0.23 4.11 -4.36 0.47 -4.88 121.20 116.61 3cma s ILE 40 Ca 0.58 -1.30 0.08 0.00 -0.26 0.00 0.00 60.65 59.75 3cma s ILE 40 Cb -0.33 -1.13 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 3cma s ILE 40 CO 0.42 -0.17 1.53 -0.33 0.24 0.00 0.00 174.94 176.63 3cma h GLU 41 N 4.35 0.06 -3.73 0.37 5.08 -1.96 -3.37 114.58 115.39 3cma h GLU 41 Ca -0.41 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 57.64 3cma h GLU 41 Cb 1.19 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.15 3cma h GLU 41 CO 0.41 0.73 -0.73 1.03 -1.00 0.00 0.00 179.01 179.45 3cma s ARG 42 N -3.47 0.04 0.46 2.33 1.81 -1.26 -4.96 118.95 113.89 3cma s ARG 42 Ca -0.02 0.03 -0.24 0.00 -1.72 0.00 0.00 55.73 53.78 3cma s ARG 42 Cb 0.12 -0.10 -0.08 0.00 -0.45 0.00 0.00 34.95 34.43 3cma s ARG 42 CO 0.78 -0.03 1.31 -2.30 -0.68 0.00 0.00 175.30 174.38 3cma n PRO 43 N 3.35 1.91 0.26 3.54 -0.02 -1.26 -4.87 135.00 137.90 3cma n PRO 43 Ca -0.16 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3cma n PRO 43 Cb 0.57 -2.46 0.53 0.00 -0.02 0.00 0.00 33.50 32.12 3cma n PRO 43 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3cma h THR 44 N 1.93 0.03 -2.66 3.45 2.02 -2.00 -3.35 112.91 112.34 3cma h THR 44 Ca -0.49 -0.69 -0.60 0.00 0.77 0.00 0.00 66.41 65.40 3cma h THR 44 Cb 1.29 1.67 -0.40 0.00 -1.74 0.00 0.00 68.15 68.97 3cma h THR 44 CO 0.59 0.01 -0.77 0.54 0.37 0.00 0.00 175.52 176.26 3cma n ARG 45 N -3.11 1.15 -0.19 6.66 1.74 -1.26 -4.99 116.66 116.66 3cma n ARG 45 Ca 0.02 -3.89 -0.02 0.00 -0.77 0.00 0.00 57.85 53.19 3cma n ARG 45 Cb 0.38 -1.97 0.05 0.00 -1.02 0.00 0.00 32.46 29.90 3cma n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3cma h LEU 46 N 5.31 -0.53 -0.50 0.55 6.46 -1.98 0.15 115.31 124.77 3cma h LEU 46 Ca 0.20 0.17 0.08 0.00 -0.12 0.00 0.00 57.88 58.20 3cma h LEU 46 Cb 0.82 0.35 -0.06 0.00 -0.73 0.00 0.00 40.66 41.04 3cma h LEU 46 CO 0.57 -0.19 0.14 -2.24 -0.62 0.00 0.00 178.44 176.10 3cma h ASP 47 N -0.00 0.10 -0.40 1.25 2.03 -1.94 0.40 116.42 117.86 3cma h ASP 47 Ca 0.27 0.07 -0.06 0.00 -0.73 0.00 0.00 57.03 56.59 3cma h ASP 47 Cb 0.42 0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 3cma h ASP 47 CO -0.59 0.08 0.02 0.50 -1.03 0.00 0.00 179.24 178.22 3cma h LYS 48 N 0.30 0.69 0.86 4.15 1.63 -1.73 -1.66 116.57 120.81 3cma h LYS 48 Ca 0.24 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3cma h LYS 48 Cb 0.29 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3cma h LYS 48 CO -0.28 0.77 -0.41 0.00 -3.45 0.00 0.00 179.45 176.07 3cma h ALA 49 N 0.89 -1.25 -0.98 5.00 0.00 -0.43 -0.61 119.26 121.89 3cma h ALA 49 Ca 0.11 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.96 3cma h ALA 49 Cb 0.44 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3cma h ALA 49 CO 0.02 -1.17 0.61 0.00 0.00 0.00 0.00 179.25 178.71 3cma h ARG 50 N -1.21 0.69 -0.68 0.00 3.08 -0.99 0.27 114.38 115.53 3cma h ARG 50 Ca -0.12 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3cma h ARG 50 Cb 0.89 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3cma h ARG 50 CO 0.19 0.46 0.21 1.03 -1.07 0.00 0.00 179.97 180.79 3cma h SER 51 N 0.71 0.98 0.65 7.04 0.87 -1.14 -2.59 113.55 120.07 3cma h SER 51 Ca 0.55 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3cma h SER 51 Cb 0.92 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3cma h SER 51 CO -0.32 0.92 -0.00 0.00 -0.53 0.00 0.00 176.83 176.89 3cma n GLN 52 N -4.26 0.35 0.00 2.24 6.02 0.82 -4.89 117.38 117.66 3cma n GLN 52 Ca 0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3cma n GLN 52 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3cma n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cma n GLY 53 N 1.33 1.35 3.31 1.08 0.00 -0.44 -4.77 105.19 107.05 3cma n GLY 53 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3cma n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cma n TYR 54 N 0.00 -1.85 -3.64 1.61 9.36 -0.48 -4.93 117.16 117.23 3cma n TYR 54 Ca 0.00 0.20 -0.08 0.00 3.32 0.00 0.00 57.90 61.33 3cma n TYR 54 Cb 0.00 -1.67 -0.07 0.00 -0.63 0.00 0.00 39.34 36.97 3cma n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3cma s LYS 55 N -3.33 0.51 -1.44 2.98 1.02 -1.26 -4.55 119.74 113.67 3cma s LYS 55 Ca 0.54 0.65 -0.13 0.00 0.02 0.00 0.00 55.97 57.04 3cma s LYS 55 Cb -0.17 0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 3cma s LYS 55 CO 0.69 -0.07 2.40 0.00 -0.92 0.00 0.00 175.35 177.45 3cma n ALA 56 N 2.53 5.90 -2.33 5.17 0.00 -1.26 -4.80 120.51 125.73 3cma n ALA 56 Ca -0.14 -3.68 -0.18 0.00 0.00 0.00 0.00 53.44 49.45 3cma n ALA 56 Cb 0.56 -3.49 -0.10 0.00 0.00 0.00 0.00 19.45 16.43 3cma n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cma s LYS 57 N 3.06 1.28 0.04 0.00 2.20 -1.26 -5.11 119.74 119.95 3cma s LYS 57 Ca 0.54 -1.57 -0.31 0.00 -0.36 0.00 0.00 55.97 54.27 3cma s LYS 57 Cb 0.15 -1.02 -0.06 0.00 -1.51 0.00 0.00 37.83 35.39 3cma s LYS 57 CO -0.06 0.16 1.31 -0.65 -0.36 0.00 0.00 175.35 175.75 3cma s GLN 58 N -3.67 4.35 0.00 4.03 -0.21 -1.26 -2.90 119.66 120.00 3cma s GLN 58 Ca 0.22 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.49 3cma s GLN 58 Cb 0.00 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.59 3cma s GLN 58 CO 0.06 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 3cma n GLY 59 N 3.44 0.74 3.38 3.09 0.00 -1.26 -4.41 105.19 110.16 3cma n GLY 59 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3cma n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 60 N -2.00 4.13 0.13 1.61 1.01 -1.14 -0.40 120.40 123.73 3cma s VAL 60 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3cma s VAL 60 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3cma s VAL 60 CO 0.00 0.13 -0.12 -0.63 0.00 0.00 0.00 175.10 174.48 3cma s ILE 61 N 1.54 3.17 -0.04 2.22 1.09 0.68 -4.88 121.20 124.98 3cma s ILE 61 Ca 0.04 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.15 3cma s ILE 61 Cb -0.17 -2.50 0.01 0.00 -1.06 0.00 0.00 42.46 38.74 3cma s ILE 61 CO 0.03 0.04 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.14 3cma s VAL 62 N -1.34 0.76 -0.00 2.92 1.01 -1.26 0.30 120.40 122.79 3cma s VAL 62 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3cma s VAL 62 Cb -0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3cma s VAL 62 CO 0.13 0.25 -0.00 0.00 0.00 0.00 0.00 175.10 175.48 3cma s ALA 63 N 0.47 0.02 -0.15 5.51 0.00 -0.37 -0.39 121.76 126.85 3cma s ALA 63 Ca -0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 3cma s ALA 63 Cb -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3cma s ALA 63 CO 0.01 0.00 0.25 0.50 0.00 0.00 0.00 175.76 176.52 3cma s ARG 64 N -0.01 4.13 -0.00 0.00 3.52 0.26 -0.14 118.95 126.70 3cma s ARG 64 Ca 0.00 0.03 0.07 0.00 -0.13 0.00 0.00 55.73 55.69 3cma s ARG 64 Cb -0.00 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3cma s ARG 64 CO -0.00 0.35 -0.21 0.08 -0.81 0.00 0.00 175.30 174.70 3cma s VAL 65 N 0.16 1.68 0.04 7.11 1.01 -0.27 -1.45 120.40 128.68 3cma s VAL 65 Ca 0.15 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3cma s VAL 65 Cb -0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3cma s VAL 65 CO 0.03 0.43 -0.10 -0.94 0.00 0.00 0.00 175.10 174.52 3cma s SER 66 N -0.63 4.40 -0.05 3.32 1.04 -1.12 -1.66 113.70 119.00 3cma s SER 66 Ca 0.08 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 3cma s SER 66 Cb -0.08 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.13 3cma s SER 66 CO -0.00 0.25 0.14 -0.69 0.98 0.00 0.00 173.24 173.91 3cma s VAL 67 N -1.04 0.01 0.39 5.02 1.01 -0.35 -4.93 120.40 120.50 3cma s VAL 67 Ca 0.18 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 3cma s VAL 67 Cb -0.11 -0.22 -0.11 0.00 0.00 0.00 0.00 36.38 35.95 3cma s VAL 67 CO 0.09 -0.03 1.43 -2.11 0.00 0.00 0.00 175.10 174.48 3cma n ARG 68 N 2.89 2.44 -1.78 2.72 0.00 -1.26 -0.76 116.66 120.92 3cma n ARG 68 Ca -0.13 0.86 -0.30 0.00 -0.00 0.00 0.00 57.85 58.28 3cma n ARG 68 Cb 0.59 -2.58 0.07 0.00 -0.00 0.00 0.00 32.46 30.54 3cma n ARG 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3cma s LYS 69 N -2.14 2.37 0.16 2.89 1.02 -0.82 -4.78 119.74 118.45 3cma s LYS 69 Ca 0.56 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.97 3cma s LYS 69 Cb -0.49 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3cma s LYS 69 CO 0.62 -1.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.08 3cma n GLY 70 N -2.78 -2.39 1.65 -3.33 0.00 -1.26 -4.93 105.19 92.15 3cma n GLY 70 Ca 0.07 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3cma n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cma n SER 71 N 0.10 -0.13 -4.77 1.61 3.41 -1.26 -5.00 113.62 107.58 3cma n SER 71 Ca 0.00 -1.16 -0.40 0.00 -0.26 0.00 0.00 58.87 57.05 3cma n SER 71 Cb 0.00 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.52 3cma n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cma s ALA 72 N -3.87 3.25 -0.73 7.33 0.00 -1.21 -4.92 121.76 121.59 3cma s ALA 72 Ca 0.32 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 3cma s ALA 72 Cb -0.01 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.69 3cma s ALA 72 CO 0.23 -1.11 0.80 1.03 0.00 0.00 0.00 175.76 176.71 3cma s ARG 73 N -2.41 3.33 0.02 0.00 3.00 -1.26 -4.95 118.95 116.68 3cma s ARG 73 Ca 0.60 -1.79 0.07 0.00 0.00 0.00 0.00 55.73 54.61 3cma s ARG 73 Cb -0.42 -4.46 -0.03 0.00 0.00 0.00 0.00 34.95 30.03 3cma s ARG 73 CO 0.55 -1.51 -0.18 0.21 0.00 0.00 0.00 175.30 174.37 3cma s LYS 74 N 1.86 2.15 0.05 3.54 2.20 -1.26 -5.12 119.74 123.16 3cma s LYS 74 Ca 0.18 -0.93 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 3cma s LYS 74 Cb -0.16 -2.20 -0.06 0.00 -1.51 0.00 0.00 37.83 33.90 3cma s LYS 74 CO -0.02 0.56 0.61 1.03 -0.36 0.00 0.00 175.35 177.16 3cma s ARG 75 N -1.22 4.30 0.51 4.03 0.52 -1.26 -5.00 118.95 120.83 3cma s ARG 75 Ca 0.13 0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 55.94 3cma s ARG 75 Cb -0.10 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 3cma s ARG 75 CO 0.04 0.50 1.04 0.50 0.02 0.00 0.00 175.30 177.40 3cma s ARG 76 N -0.67 3.70 0.00 3.54 3.52 -1.26 -5.06 118.95 122.71 3cma s ARG 76 Ca 0.31 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 3cma s ARG 76 Cb -0.19 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 3cma s ARG 76 CO 0.19 -0.51 0.00 -2.39 -0.81 0.00 0.00 175.30 171.78 3cma n HIS 77 N -1.18 0.00 -0.05 5.12 1.44 -1.26 -4.95 115.22 114.33 3cma n HIS 77 Ca 0.09 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.77 3cma n HIS 77 Cb 0.53 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.49 3cma n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cma n LYS 78 N 0.00 0.67 -0.03 -1.40 5.02 -1.26 -5.01 118.16 116.15 3cma n LYS 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cma n LYS 78 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3cma n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma n ALA 79 N -2.57 0.00 -1.82 7.82 0.00 -1.26 -5.09 120.51 117.59 3cma n ALA 79 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 3cma n ALA 79 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.40 3cma n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3cma s GLY 80 N -0.50 2.47 -0.01 0.00 0.00 -1.26 -5.03 107.32 102.99 3cma s GLY 80 Ca 0.00 1.41 -0.13 0.00 0.00 0.00 0.00 44.72 46.00 3cma s GLY 80 CO 0.00 2.28 0.27 0.50 0.00 0.00 0.00 173.10 176.15 3cma s ARG 81 N -0.88 0.62 0.46 2.90 3.00 -1.26 -5.12 118.95 118.66 3cma s ARG 81 Ca 0.58 -0.23 -0.14 0.00 0.00 0.00 0.00 55.73 55.93 3cma s ARG 81 Cb -0.44 0.27 -0.07 0.00 0.00 0.00 0.00 34.95 34.71 3cma s ARG 81 CO 0.49 -0.16 0.90 -0.98 0.00 0.00 0.00 175.30 175.54 3cma s ARG 82 N -1.31 3.90 0.60 3.54 1.70 -1.26 -4.82 118.95 121.30 3cma s ARG 82 Ca -0.14 0.77 0.29 0.00 -0.47 0.00 0.00 55.73 56.19 3cma s ARG 82 Cb -0.06 -2.24 1.04 0.00 -0.57 0.00 0.00 34.95 33.12 3cma s ARG 82 CO 0.03 -0.16 1.36 0.66 -1.08 0.00 0.00 175.30 176.12 3cma h SER 83 N 1.13 0.00 -0.03 -2.89 4.64 -2.02 0.45 113.55 114.84 3cma h SER 83 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3cma h SER 83 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3cma h SER 83 CO 0.62 0.00 -0.00 0.50 -0.87 0.00 0.00 176.83 177.08 3cma h LYS 84 N 0.00 0.05 -0.69 4.77 3.11 -2.03 -3.26 116.57 118.52 3cma h LYS 84 Ca 0.53 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.30 3cma h LYS 84 Cb 2.93 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 34.13 3cma h LYS 84 CO -0.01 0.37 0.06 0.54 -2.81 0.00 0.00 179.45 177.60 3cma n ARG 85 N -4.89 4.00 0.00 1.90 5.12 0.16 -4.25 116.66 118.69 3cma n ARG 85 Ca -0.07 -2.58 0.11 0.00 -1.93 0.00 0.00 57.85 53.38 3cma n ARG 85 Cb 0.19 -2.12 0.07 0.00 -1.16 0.00 0.00 32.46 29.44 3cma n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3cma n GLN 86 N 0.37 0.87 -0.64 5.56 6.02 -1.08 -4.81 117.38 123.66 3cma n GLN 86 Ca 0.26 -0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 56.26 3cma n GLN 86 Cb 1.08 -1.49 0.18 0.00 1.02 0.00 0.00 30.24 31.04 3cma n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cma n GLY 87 N 1.42 -0.63 2.10 1.08 0.00 -1.26 -4.83 105.19 103.07 3cma n GLY 87 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3cma n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cma n VAL 88 N -4.38 0.00 0.31 1.61 0.31 -1.26 -4.87 118.33 110.05 3cma n VAL 88 Ca 0.11 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.64 3cma n VAL 88 Cb 0.52 -0.19 1.08 0.00 -0.91 0.00 0.00 33.84 34.34 3cma n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3cma h THR 89 N 0.00 0.00 0.00 2.52 2.02 -1.94 -3.13 112.91 112.38 3cma h THR 89 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3cma h THR 89 Cb 0.00 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3cma h THR 89 CO 0.00 0.00 -0.63 0.54 0.37 0.00 0.00 175.52 175.80 3cma n ARG 90 N -2.92 3.30 -1.82 6.66 1.74 -1.26 -4.98 116.66 117.38 3cma n ARG 90 Ca -0.03 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 3cma n ARG 90 Cb 0.07 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 3cma n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cma s ILE 91 N -1.97 2.17 0.11 0.55 1.01 -1.18 -4.98 121.20 116.90 3cma s ILE 91 Ca 0.02 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.88 3cma s ILE 91 Cb 0.06 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3cma s ILE 91 CO 0.34 0.02 -0.18 0.42 0.00 0.00 0.00 174.94 175.54 3cma s THR 92 N 0.12 1.56 0.79 2.92 -4.23 -1.26 -3.35 115.64 112.19 3cma s THR 92 Ca 0.64 -1.57 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 3cma s THR 92 Cb -0.47 -1.50 0.07 0.00 1.34 0.00 0.00 72.50 71.94 3cma s THR 92 CO 0.45 -0.17 1.09 -0.13 -0.54 0.00 0.00 174.62 175.32 3cma s ARG 93 N -2.09 2.13 0.11 3.99 1.81 -1.26 -4.84 118.95 118.80 3cma s ARG 93 Ca 0.06 1.11 0.24 0.00 -1.72 0.00 0.00 55.73 55.43 3cma s ARG 93 Cb -0.09 -1.89 0.37 0.00 -0.45 0.00 0.00 34.95 32.90 3cma s ARG 93 CO 0.04 -1.72 1.34 0.54 -0.68 0.00 0.00 175.30 174.82 3cma n ARG 94 N -3.57 0.27 -3.72 3.54 1.74 -1.26 -4.79 116.66 108.88 3cma n ARG 94 Ca 0.09 0.08 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 3cma n ARG 94 Cb 0.53 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3cma n ARG 94 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3cma s LYS 95 N -3.16 4.00 0.54 5.56 2.20 -1.26 -5.00 119.74 122.62 3cma s LYS 95 Ca 0.07 -0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 3cma s LYS 95 Cb 0.14 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 3cma s LYS 95 CO 0.72 0.43 0.96 0.16 -0.36 0.00 0.00 175.35 177.25 3cma s ASP 96 N -0.04 6.43 0.37 1.43 -4.77 -1.26 -4.88 116.67 113.94 3cma s ASP 96 Ca 0.12 1.40 0.10 0.00 -3.30 0.00 0.00 52.55 50.88 3cma s ASP 96 Cb -0.12 -2.45 0.87 0.00 -1.09 0.00 0.00 42.92 40.13 3cma s ASP 96 CO 0.01 -0.67 1.89 0.40 0.70 0.00 0.00 175.17 177.50 3cma h ILE 97 N 0.40 0.85 -0.53 2.11 2.04 -1.97 0.40 117.51 120.81 3cma h ILE 97 Ca -0.46 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3cma h ILE 97 Cb 1.19 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3cma h ILE 97 CO 0.62 0.12 0.33 -0.61 0.00 0.00 0.00 178.15 178.61 3cma h GLN 98 N 0.63 0.71 -0.16 2.37 4.15 -2.00 -0.60 115.11 120.22 3cma h GLN 98 Ca 0.41 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.57 3cma h GLN 98 Cb 0.70 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.24 3cma h GLN 98 CO -0.17 0.49 -0.72 -0.09 -1.93 0.00 0.00 178.83 176.41 3cma h ARG 99 N 0.73 0.77 -0.62 1.69 2.43 -1.33 -2.42 114.38 115.63 3cma h ARG 99 Ca 0.19 -0.61 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3cma h ARG 99 Cb -0.05 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3cma h ARG 99 CO -0.04 1.22 0.40 0.28 -1.51 0.00 0.00 179.97 180.33 3cma h VAL 100 N 0.50 1.12 -0.41 0.20 2.07 -0.60 -2.65 116.25 116.48 3cma h VAL 100 Ca -0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3cma h VAL 100 Cb 1.35 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3cma h VAL 100 CO 0.15 0.15 0.18 0.00 0.02 0.00 0.00 177.57 178.07 3cma h ALA 101 N 1.25 0.53 -0.74 1.67 0.00 -1.11 -1.53 119.26 119.33 3cma h ALA 101 Ca 0.24 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3cma h ALA 101 Cb -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 3cma h ALA 101 CO -0.07 0.11 0.38 0.93 0.00 0.00 0.00 179.25 180.60 3cma h GLU 102 N 0.52 0.62 -0.23 0.00 5.08 -1.15 -0.72 114.58 118.70 3cma h GLU 102 Ca 0.14 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3cma h GLU 102 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3cma h GLU 102 CO -0.01 0.41 0.02 0.93 -1.00 0.00 0.00 179.01 179.36 3cma h GLU 103 N 0.64 0.39 -0.87 2.33 5.08 -1.19 -0.50 114.58 120.47 3cma h GLU 103 Ca 0.36 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3cma h GLU 103 Cb 0.37 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3cma h GLU 103 CO -0.26 0.55 0.57 0.00 -1.00 0.00 0.00 179.01 178.87 3cma h ARG 104 N 0.18 1.03 0.79 2.33 3.08 -0.79 -0.67 114.38 120.34 3cma h ARG 104 Ca 0.07 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3cma h ARG 104 Cb 0.36 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3cma h ARG 104 CO 0.01 0.68 -0.38 0.00 -1.07 0.00 0.00 179.97 179.21 3cma h ALA 105 N 1.50 -1.15 -0.93 0.04 0.00 -0.86 -2.55 119.26 115.31 3cma h ALA 105 Ca 0.35 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.26 3cma h ALA 105 Cb 0.07 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3cma h ALA 105 CO -0.11 -1.07 0.63 1.03 0.00 0.00 0.00 179.25 179.72 3cma h SER 106 N -1.19 0.33 -0.63 0.00 0.87 -0.78 0.48 113.55 112.63 3cma h SER 106 Ca -0.11 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3cma h SER 106 Cb 0.82 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 3cma h SER 106 CO 0.18 0.11 0.31 0.03 -0.53 0.00 0.00 176.83 176.94 3cma h ARG 107 N 0.32 0.90 -0.28 2.24 2.47 -0.98 -2.28 114.38 116.76 3cma h ARG 107 Ca 0.49 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 3cma h ARG 107 Cb 1.36 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 3cma h ARG 107 CO -0.16 0.71 0.11 1.15 0.56 0.00 0.00 179.97 182.33 3cma h THR 108 N 0.86 1.11 -2.30 2.04 2.02 0.37 -3.20 112.91 113.82 3cma h THR 108 Ca 0.22 -0.35 -0.63 0.00 0.77 0.00 0.00 66.41 66.41 3cma h THR 108 Cb 0.10 0.79 -0.39 0.00 -1.74 0.00 0.00 68.15 66.90 3cma h THR 108 CO -0.03 0.13 -0.32 0.49 0.37 0.00 0.00 175.52 176.16 3cma n PHE 109 N -4.42 3.70 -0.45 3.16 3.01 -0.87 -4.93 117.46 116.65 3cma n PHE 109 Ca 0.01 -3.76 0.37 0.00 1.01 0.00 0.00 57.45 55.08 3cma n PHE 109 Cb 0.13 -0.65 0.60 0.00 -0.01 0.00 0.00 39.48 39.55 3cma n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3cma n PRO 110 N 0.12 -0.02 0.08 -1.08 -0.04 -1.13 0.29 135.00 133.22 3cma n PRO 110 Ca 0.33 1.01 0.03 0.00 -0.04 0.00 0.00 63.50 64.82 3cma n PRO 110 Cb 0.37 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 3cma n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 3cma h ASN 111 N 0.00 0.00 -4.18 3.54 -1.07 -1.92 -3.47 115.58 108.49 3cma h ASN 111 Ca 0.75 0.00 -0.46 0.00 0.07 0.00 0.00 56.30 56.66 3cma h ASN 111 Cb 2.59 0.00 0.10 0.00 -2.07 0.00 0.00 38.32 38.94 3cma h ASN 111 CO -0.28 0.45 0.34 -0.76 0.07 0.00 0.00 177.43 177.25 3cma s LEU 112 N -5.93 2.65 -0.02 6.14 1.43 0.15 -4.46 118.68 118.64 3cma s LEU 112 Ca -0.00 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3cma s LEU 112 Cb 0.08 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.25 3cma s LEU 112 CO 0.78 -1.89 -0.05 -0.13 0.23 0.00 0.00 176.35 175.29 3cma s ARG 113 N -5.49 0.58 0.25 1.70 0.52 -0.47 -4.90 118.95 111.14 3cma s ARG 113 Ca 0.63 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.38 3cma s ARG 113 Cb -0.10 -0.58 -0.10 0.00 0.52 0.00 0.00 34.95 34.69 3cma s ARG 113 CO 0.48 0.04 1.39 0.08 0.02 0.00 0.00 175.30 177.31 3cma s VAL 114 N 0.27 2.78 -0.12 3.52 1.01 -1.26 -1.09 120.40 125.52 3cma s VAL 114 Ca -0.03 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3cma s VAL 114 Cb -0.07 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 3cma s VAL 114 CO -0.00 0.12 -0.11 -0.11 0.00 0.00 0.00 175.10 174.99 3cma n LEU 115 N 2.10 2.49 -3.61 3.92 -0.00 -0.30 -4.82 117.00 116.78 3cma n LEU 115 Ca 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 56.01 56.07 3cma n LEU 115 Cb 0.41 -0.39 -0.00 0.00 -0.00 0.00 0.00 43.42 43.44 3cma n LEU 115 CO 0.60 0.59 1.08 0.21 -0.00 0.00 0.00 177.39 179.86 3cma s ASN 116 N -5.33 -0.05 0.00 1.96 3.84 -1.21 -4.72 114.94 109.42 3cma s ASN 116 Ca -0.16 -0.12 -0.20 0.00 0.21 0.00 0.00 52.86 52.60 3cma s ASN 116 Cb 0.05 0.14 0.04 0.00 -0.55 0.00 0.00 41.25 40.93 3cma s ASN 116 CO 0.25 -0.27 0.44 -0.94 -2.79 0.00 0.00 177.10 173.79 3cma s SER 117 N -2.95 -0.34 0.04 -4.21 1.04 -1.26 -0.43 113.70 105.59 3cma s SER 117 Ca 0.14 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3cma s SER 117 Cb 0.05 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3cma s SER 117 CO -0.04 -0.57 -0.04 -0.72 0.98 0.00 0.00 173.24 172.85 3cma s TYR 118 N -1.73 0.50 0.38 5.02 -0.85 -0.60 -4.98 117.35 115.10 3cma s TYR 118 Ca -0.10 -0.76 -0.23 0.00 -0.52 0.00 0.00 57.07 55.46 3cma s TYR 118 Cb -0.02 -0.34 -0.10 0.00 0.38 0.00 0.00 41.96 41.87 3cma s TYR 118 CO 0.03 -0.23 0.94 0.45 -1.52 0.00 0.00 175.55 175.21 3cma s SER 119 N -2.20 7.08 -0.22 -0.18 0.15 -1.26 -0.40 113.70 116.66 3cma s SER 119 Ca -0.03 1.72 0.17 0.00 0.70 0.00 0.00 55.95 58.51 3cma s SER 119 Cb -0.02 -2.55 0.47 0.00 -1.71 0.00 0.00 66.02 62.22 3cma s SER 119 CO -0.04 -0.24 1.16 1.33 1.20 0.00 0.00 173.24 176.64 3cma n VAL 120 N -0.18 1.59 -0.29 4.45 0.24 -0.31 -4.84 118.33 118.98 3cma n VAL 120 Ca 0.05 -3.08 0.00 0.00 -2.04 0.00 0.00 64.34 59.27 3cma n VAL 120 Cb 0.53 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 3cma n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cma n GLY 121 N -0.53 -2.02 3.57 7.63 0.00 -1.25 -4.81 105.19 107.78 3cma n GLY 121 Ca 0.20 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 3cma n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cma s GLN 122 N -0.12 0.50 0.00 1.61 -2.07 -1.26 -1.91 119.66 116.40 3cma s GLN 122 Ca 0.00 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 3cma s GLN 122 Cb 0.00 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 3cma s GLN 122 CO 0.00 -0.20 0.00 -0.40 -1.32 0.00 0.00 175.29 173.37 3cma n ASP 123 N 0.03 0.96 0.10 12.60 5.68 -0.68 -5.00 116.55 130.24 3cma n ASP 123 Ca -0.04 -0.03 0.11 0.00 -0.50 0.00 0.00 54.79 54.33 3cma n ASP 123 Cb 0.59 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 41.03 3cma n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cma n GLY 124 N 5.00 -1.27 0.00 6.12 0.00 -1.26 -3.93 105.19 109.86 3cma n GLY 124 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3cma n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cma n ARG 125 N -2.11 0.76 -3.65 1.61 1.85 -1.26 -4.95 116.66 108.91 3cma n ARG 125 Ca 0.03 -0.71 -0.08 0.00 -1.00 0.00 0.00 57.85 56.09 3cma n ARG 125 Cb 0.24 -0.68 -0.02 0.00 -1.05 0.00 0.00 32.46 30.95 3cma n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3cma s GLN 126 N -0.28 1.38 0.06 2.89 -2.07 -1.25 -1.94 119.66 118.45 3cma s GLN 126 Ca 0.00 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 52.92 3cma s GLN 126 Cb 0.00 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 3cma s GLN 126 CO 0.00 -0.62 -0.14 0.15 -1.32 0.00 0.00 175.29 173.36 3cma s LYS 127 N -3.63 0.85 -0.03 9.60 1.02 0.06 -1.69 119.74 125.93 3cma s LYS 127 Ca 0.07 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.26 3cma s LYS 127 Cb -0.03 -0.86 -0.02 0.00 -0.52 0.00 0.00 37.83 36.40 3cma s LYS 127 CO -0.02 0.20 -0.24 -1.58 -0.92 0.00 0.00 175.35 172.79 3cma s TRP 128 N -1.11 2.40 0.00 3.18 0.51 -0.80 -1.21 118.94 121.92 3cma s TRP 128 Ca -0.01 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.58 3cma s TRP 128 Cb -0.09 -1.53 -0.00 0.00 -0.81 0.00 0.00 33.47 31.04 3cma s TRP 128 CO 0.02 -0.00 -0.02 -1.01 -0.51 0.00 0.00 176.95 175.42 3cma s HIS 129 N -0.62 0.22 -0.16 -1.98 3.76 -0.67 -1.17 115.29 114.67 3cma s HIS 129 Ca 0.10 -0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 54.85 3cma s HIS 129 Cb -0.10 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.40 3cma s HIS 129 CO -0.01 -0.01 0.15 -1.21 -0.85 0.00 0.00 174.74 172.81 3cma s GLU 130 N -0.16 3.86 -0.08 1.40 2.02 0.46 -1.11 118.70 125.10 3cma s GLU 130 Ca -0.00 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.86 3cma s GLU 130 Cb -0.02 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 3cma s GLU 130 CO -0.00 0.51 -0.13 0.08 0.02 0.00 0.00 175.26 175.74 3cma s VAL 131 N -0.27 3.15 -0.27 2.63 1.01 0.80 -1.56 120.40 125.89 3cma s VAL 131 Ca 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3cma s VAL 131 Cb -0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3cma s VAL 131 CO 0.01 0.57 0.23 -0.63 0.00 0.00 0.00 175.10 175.29 3cma s ILE 132 N -0.41 5.28 0.18 2.22 1.01 0.42 -1.24 121.20 128.66 3cma s ILE 132 Ca 0.05 0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.07 3cma s ILE 132 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3cma s ILE 132 CO 0.02 0.23 -0.19 -0.76 0.00 0.00 0.00 174.94 174.24 3cma s LEU 133 N 1.79 2.62 -0.01 2.97 1.02 0.15 -1.15 118.68 126.07 3cma s LEU 133 Ca 0.09 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 53.55 3cma s LEU 133 Cb -0.16 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 3cma s LEU 133 CO 0.10 0.13 -0.16 -0.63 0.02 0.00 0.00 176.35 175.81 3cma s ILE 134 N -1.59 1.23 -0.51 -0.59 -1.09 -0.25 -0.23 121.20 118.17 3cma s ILE 134 Ca 0.21 -0.67 -0.23 0.00 -2.23 0.00 0.00 60.65 57.73 3cma s ILE 134 Cb -0.09 -1.03 0.04 0.00 -1.58 0.00 0.00 42.46 39.81 3cma s ILE 134 CO 0.11 0.34 0.87 -0.62 -1.23 0.00 0.00 174.94 174.41 3cma s ASP 135 N -0.38 6.36 0.00 3.58 -1.08 0.46 -1.37 116.67 124.23 3cma s ASP 135 Ca 0.06 -0.32 0.21 0.00 -0.52 0.00 0.00 52.55 51.98 3cma s ASP 135 Cb -0.06 -2.41 1.24 0.00 -1.46 0.00 0.00 42.92 40.23 3cma s ASP 135 CO -0.01 -1.10 1.66 -0.81 0.52 0.00 0.00 175.17 175.44 3cma n PRO 136 N 7.11 0.60 -0.04 4.34 -0.04 -1.26 -2.89 135.00 142.82 3cma n PRO 136 Ca 0.01 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 3cma n PRO 136 Cb 0.47 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.52 3cma n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3cma n ASN 137 N -1.05 2.42 -4.67 3.54 3.02 -1.26 -4.81 115.26 112.45 3cma n ASN 137 Ca 0.15 -1.69 -0.38 0.00 -0.03 0.00 0.00 54.58 52.63 3cma n ASN 137 Cb 0.09 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.13 3cma n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3cma s HIS 138 N -1.21 3.36 0.59 3.10 2.46 -1.14 -4.96 115.29 117.49 3cma s HIS 138 Ca 0.20 0.51 0.29 0.00 0.47 0.00 0.00 55.06 56.52 3cma s HIS 138 Cb 0.13 -2.45 1.74 0.00 -0.13 0.00 0.00 32.58 31.87 3cma s HIS 138 CO 0.19 0.02 2.20 -1.00 -2.47 0.00 0.00 174.74 173.68 3cma h PRO 139 N 7.38 0.00 0.00 2.88 0.13 -1.92 0.44 132.00 140.91 3cma h PRO 139 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3cma h PRO 139 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3cma h PRO 139 CO 0.70 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.46 3cma h ALA 140 N 1.91 1.20 0.00 -0.56 0.00 -1.93 -1.50 119.26 118.39 3cma h ALA 140 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3cma h ALA 140 Cb 0.18 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3cma h ALA 140 CO -0.00 0.02 -2.09 -0.89 0.00 0.00 0.00 179.25 176.29 3cma n ILE 141 N -3.39 1.10 0.33 0.00 5.41 0.13 -3.74 119.36 119.18 3cma n ILE 141 Ca -0.03 -0.45 0.21 0.00 1.00 0.00 0.00 62.75 63.49 3cma n ILE 141 Cb 0.11 -1.11 1.14 0.00 -0.71 0.00 0.00 39.64 39.07 3cma n ILE 141 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3cma h GLN 142 N 0.00 0.00 0.00 0.38 4.20 -0.53 -1.24 115.11 117.92 3cma h GLN 142 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3cma h GLN 142 Cb 1.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 3cma h GLN 142 CO -0.06 0.00 -1.77 0.09 -0.67 0.00 0.00 178.83 176.43 3cma n ASN 143 N -3.20 0.21 -4.71 1.46 3.02 -0.58 -4.77 115.26 106.69 3cma n ASN 143 Ca -0.03 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 3cma n ASN 143 Cb 0.09 1.72 -0.03 0.00 -0.61 0.00 0.00 39.78 40.95 3cma n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cma s ASP 144 N -4.35 6.48 0.12 6.41 -1.08 -0.47 -4.87 116.67 118.92 3cma s ASP 144 Ca -0.05 2.72 0.22 0.00 -0.52 0.00 0.00 52.55 54.93 3cma s ASP 144 Cb 0.14 -2.59 0.88 0.00 -1.46 0.00 0.00 42.92 39.89 3cma s ASP 144 CO 0.89 -0.92 1.68 0.47 0.52 0.00 0.00 175.17 177.81 3cma n ASP 145 N 4.46 0.37 -0.36 -0.34 8.00 -1.26 -1.47 116.55 125.95 3cma n ASP 145 Ca 0.16 0.57 0.04 0.00 0.71 0.00 0.00 54.79 56.27 3cma n ASP 145 Cb 0.37 -0.65 0.04 0.00 -0.02 0.00 0.00 41.12 40.86 3cma n ASP 145 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3cma n ASP 146 N -1.88 1.81 0.00 -2.24 8.00 -1.26 -4.71 116.55 116.26 3cma n ASP 146 Ca 0.04 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3cma n ASP 146 Cb 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3cma n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cma n LEU 147 N 0.46 0.00 0.11 0.64 4.77 -1.19 -4.85 117.00 116.94 3cma n LEU 147 Ca 0.05 -0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3cma n LEU 147 Cb 0.23 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.70 3cma n LEU 147 CO 0.05 0.00 0.72 -1.54 -1.33 0.00 0.00 177.39 175.30 3cma n SER 148 N -0.00 0.36 0.17 -1.43 3.41 -0.54 -1.54 113.62 114.05 3cma n SER 148 Ca 0.00 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.27 3cma n SER 148 Cb 0.00 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 63.56 3cma n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3cma h TRP 149 N 0.00 0.00 0.00 7.33 5.08 -1.88 -2.59 115.95 123.88 3cma h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3cma h TRP 149 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 3cma h TRP 149 CO 0.00 0.46 0.00 1.51 -1.28 0.00 0.00 178.44 179.13 3cma n ILE 150 N -3.94 0.00 0.36 0.12 3.06 -0.59 -2.78 119.36 115.59 3cma n ILE 150 Ca -0.02 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.35 3cma n ILE 150 Cb 0.49 -0.29 -0.05 0.00 0.54 0.00 0.00 39.64 40.33 3cma n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3cma s ALA 152 N -3.30 2.84 0.21 0.00 0.00 -1.12 -4.90 121.76 115.49 3cma s ALA 152 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3cma s ALA 152 Cb 0.14 -3.52 0.26 0.00 0.00 0.00 0.00 23.12 20.00 3cma s ALA 152 CO 0.84 -1.21 1.65 -0.44 0.00 0.00 0.00 175.76 176.59 3cma h ASP 153 N 1.56 -0.40 0.04 0.00 3.32 -1.93 0.24 116.42 119.25 3cma h ASP 153 Ca -0.51 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3cma h ASP 153 Cb 1.29 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.16 3cma h ASP 153 CO 0.58 -0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.04 3cma n ASP 154 N -5.34 0.00 -0.64 6.45 5.68 -1.26 -0.59 116.55 120.85 3cma n ASP 154 Ca 0.08 0.09 0.13 0.00 -0.50 0.00 0.00 54.79 54.60 3cma n ASP 154 Cb 0.34 -0.17 0.38 0.00 -1.14 0.00 0.00 41.12 40.53 3cma n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cma n GLN 155 N -1.17 1.88 -2.02 0.11 1.13 0.83 -4.80 117.38 113.35 3cma n GLN 155 Ca 0.02 -1.28 -0.42 0.00 -1.94 0.00 0.00 57.00 53.38 3cma n GLN 155 Cb 0.02 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.87 3cma n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cma s ALA 156 N -2.00 3.69 -1.42 -1.58 0.00 0.24 -2.25 121.76 118.44 3cma s ALA 156 Ca 0.35 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3cma s ALA 156 Cb 0.21 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3cma s ALA 156 CO 0.32 -0.82 0.00 -0.25 0.00 0.00 0.00 175.76 175.02 3cma n ASP 157 N 4.43 -4.83 -0.31 0.00 8.00 -1.26 -4.84 116.55 117.74 3cma n ASP 157 Ca 0.14 0.11 0.15 0.00 0.71 0.00 0.00 54.79 55.90 3cma n ASP 157 Cb 0.40 -4.07 0.34 0.00 -0.02 0.00 0.00 41.12 37.77 3cma n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3cma h ARG 158 N 0.00 0.34 -0.83 -1.24 0.11 -1.76 -0.01 114.38 110.99 3cma h ARG 158 Ca -0.39 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 59.68 3cma h ARG 158 Cb 1.28 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 32.24 3cma h ARG 158 CO 0.46 0.23 0.54 -0.24 0.10 0.00 0.00 179.97 181.06 3cma h VAL 159 N 0.35 1.22 0.00 0.08 3.04 -1.88 -1.49 116.25 117.58 3cma h VAL 159 Ca 0.60 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 3cma h VAL 159 Cb 1.20 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3cma h VAL 159 CO -0.57 0.21 0.00 0.49 -1.01 0.00 0.00 177.57 176.69 3cma n PHE 160 N -4.40 0.00 -0.69 3.17 3.01 -0.02 -2.09 117.46 116.44 3cma n PHE 160 Ca 0.09 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.62 3cma n PHE 160 Cb 0.03 -0.42 0.12 0.00 -0.01 0.00 0.00 39.48 39.21 3cma n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cma n ARG 161 N -1.42 2.17 -1.54 -1.08 1.74 -0.64 -5.00 116.66 110.90 3cma n ARG 161 Ca 0.05 -2.29 -0.09 0.00 -0.77 0.00 0.00 57.85 54.75 3cma n ARG 161 Cb 0.16 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3cma n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 162 N -0.84 0.77 0.04 -0.13 0.00 -0.89 -4.93 105.19 99.20 3cma n GLY 162 Ca 0.12 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.70 3cma n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cma n LEU 163 N -1.13 0.22 -4.75 0.99 4.77 -0.71 -2.70 117.00 113.69 3cma n LEU 163 Ca -0.10 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 3cma n LEU 163 Cb 0.39 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 3cma n LEU 163 CO 0.14 0.04 0.68 -0.89 -1.33 0.00 0.00 177.39 176.04 3cma s THR 164 N -2.65 2.91 0.26 -5.08 2.01 -1.26 -4.75 115.64 107.07 3cma s THR 164 Ca 0.24 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 3cma s THR 164 Cb 0.20 -2.85 0.19 0.00 0.01 0.00 0.00 72.50 70.04 3cma s THR 164 CO 0.50 -0.39 1.84 1.23 -0.69 0.00 0.00 174.62 177.12 3cma h GLY 165 N -1.34 1.14 1.66 4.40 0.00 -1.89 0.17 103.07 107.21 3cma h GLY 165 Ca -0.48 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.14 3cma h GLY 165 CO 0.55 0.55 -0.53 0.00 0.00 0.00 0.00 176.54 177.10 3cma h ALA 166 N 1.31 0.85 0.85 3.60 0.00 -1.94 -1.00 119.26 122.93 3cma h ALA 166 Ca 0.25 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3cma h ALA 166 Cb 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3cma h ALA 166 CO -0.03 0.68 -0.41 0.78 0.00 0.00 0.00 179.25 180.28 3cma h GLY 167 N 1.27 -1.19 0.53 0.00 0.00 -1.43 0.12 103.07 102.37 3cma h GLY 167 Ca 0.01 0.44 0.10 0.00 0.00 0.00 0.00 47.33 47.88 3cma h GLY 167 CO 0.09 -0.43 0.52 3.21 0.00 0.00 0.00 176.54 179.92 3cma h ARG 168 N -1.20 0.84 0.21 4.80 3.08 -0.51 -0.84 114.38 120.77 3cma h ARG 168 Ca -0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3cma h ARG 168 Cb 0.88 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3cma h ARG 168 CO 0.19 0.55 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.45 3cma h ARG 169 N 0.86 -0.28 -0.52 0.04 2.43 -1.11 -2.56 114.38 113.24 3cma h ARG 169 Ca 0.42 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.69 3cma h ARG 169 Cb 0.37 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3cma h ARG 169 CO -0.24 -0.16 0.35 -0.97 -1.51 0.00 0.00 179.97 177.44 3cma h ASN 170 N -0.32 0.32 0.00 -3.80 -1.24 -0.06 -1.10 115.58 109.38 3cma h ASN 170 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3cma h ASN 170 Cb 0.25 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3cma h ASN 170 CO 0.05 0.20 0.00 0.54 -1.29 0.00 0.00 177.43 176.93 3cma n ARG 171 N -4.47 0.95 -2.79 6.67 1.74 -0.41 -4.87 116.66 113.49 3cma n ARG 171 Ca 0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 3cma n ARG 171 Cb 0.33 -1.19 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 3cma n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 172 N 0.28 -0.30 1.01 -0.13 0.00 -0.41 -4.79 105.19 100.84 3cma n GLY 172 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3cma n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cma n LEU 173 N -3.17 3.09 0.15 0.99 4.77 -0.99 -4.56 117.00 117.27 3cma n LEU 173 Ca -0.11 -1.15 -0.14 0.00 -0.03 0.00 0.00 56.01 54.59 3cma n LEU 173 Cb 0.61 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3cma n LEU 173 CO 0.36 0.57 0.66 0.28 -1.33 0.00 0.00 177.39 177.93 3cma h SER 174 N 4.52 -0.86 -3.92 -1.43 0.02 -1.81 -3.43 113.55 106.64 3cma h SER 174 Ca 0.00 0.09 -0.49 0.00 -0.84 0.00 0.00 61.79 60.55 3cma h SER 174 Cb 0.97 0.32 0.03 0.00 0.14 0.00 0.00 62.40 63.86 3cma h SER 174 CO 0.00 -0.41 0.45 -0.83 -1.14 0.00 0.00 176.83 174.90 3cma s GLY 175 N -2.37 2.84 0.00 -3.77 0.00 -1.26 -4.96 107.32 97.80 3cma s GLY 175 Ca -0.16 0.81 0.22 0.00 0.00 0.00 0.00 44.72 45.59 3cma s GLY 175 CO 0.64 1.30 1.00 0.28 0.00 0.00 0.00 173.10 176.32 3cma n LYS 176 N 0.23 0.57 0.00 2.90 5.02 -1.26 -4.79 118.16 120.82 3cma n LYS 176 Ca 0.04 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 3cma n LYS 176 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3cma n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cma n GLY 177 N 1.46 2.40 3.59 0.72 0.00 -1.26 -4.99 105.19 107.11 3cma n GLY 177 Ca 0.06 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3cma n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cma n LYS 178 N 0.00 1.08 0.00 1.61 4.81 -1.26 -2.20 118.16 122.20 3cma n LYS 178 Ca 0.00 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3cma n LYS 178 Cb 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.03 3cma n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cma n GLY 179 N 1.31 2.57 1.47 3.14 0.00 -1.26 -4.85 105.19 107.57 3cma n GLY 179 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3cma n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cma n SER 180 N 0.00 3.32 0.18 1.61 3.41 -0.93 -4.66 113.62 116.56 3cma n SER 180 Ca 0.00 -3.78 0.05 0.00 -0.26 0.00 0.00 58.87 54.88 3cma n SER 180 Cb 0.00 -0.65 0.32 0.00 -0.26 0.00 0.00 64.21 63.62 3cma n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cma h GLU 181 N 1.24 0.00 -0.04 4.33 3.07 -1.89 -3.20 114.58 118.08 3cma h GLU 181 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 3cma h GLU 181 Cb 1.67 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.58 3cma h GLU 181 CO 0.61 0.40 -0.08 1.63 -1.40 0.00 0.00 179.01 180.17 3cma n LYS 182 N -3.60 1.55 -0.02 2.33 5.02 -1.26 -4.68 118.16 117.50 3cma n LYS 182 Ca -0.00 -2.75 -0.04 0.00 -2.02 0.00 0.00 58.31 53.50 3cma n LYS 182 Cb 0.51 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3cma n LYS 182 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3cma n THR 183 N -1.27 0.23 -3.16 -0.18 -2.24 -1.22 -3.64 114.28 102.81 3cma n THR 183 Ca 0.18 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.52 3cma n THR 183 Cb 0.69 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 3cma n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3cma s ARG 184 N -2.08 4.27 0.02 -0.78 3.52 -1.21 -1.08 118.95 121.61 3cma s ARG 184 Ca -0.06 0.84 0.28 0.00 -0.13 0.00 0.00 55.73 56.66 3cma s ARG 184 Cb 0.02 -3.06 0.98 0.00 -1.56 0.00 0.00 34.95 31.33 3cma s ARG 184 CO 0.08 0.51 1.76 -0.35 -0.81 0.00 0.00 175.30 176.49 3cma n PRO 185 N 1.18 0.03 -3.59 5.12 -0.04 -1.26 -4.90 135.00 131.54 3cma n PRO 185 Ca -0.06 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 3cma n PRO 185 Cb 0.51 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3cma n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3cma s SER 186 N -3.15 -0.55 0.19 3.54 1.04 -0.24 -5.04 113.70 109.49 3cma s SER 186 Ca 0.13 0.81 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 3cma s SER 186 Cb 0.18 0.73 0.10 0.00 0.10 0.00 0.00 66.02 67.13 3cma s SER 186 CO 0.59 -0.36 1.85 -0.07 0.98 0.00 0.00 173.24 176.23 3cma h LEU 187 N 3.54 0.72 -0.02 2.42 3.38 -1.78 -2.89 115.31 120.68 3cma h LEU 187 Ca -0.25 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3cma h LEU 187 Cb 1.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3cma h LEU 187 CO 0.24 0.54 -0.03 -0.09 0.09 0.00 0.00 178.44 179.18 3cma h ARG 188 N 0.84 -0.04 0.00 1.13 2.43 -1.91 -0.29 114.38 116.54 3cma h ARG 188 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3cma h ARG 188 Cb -0.08 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3cma h ARG 188 CO -0.05 -0.03 0.00 -1.13 -1.51 0.00 0.00 179.97 177.25 3cma n SER 189 N -5.14 0.52 -2.01 -3.80 3.41 -1.11 -1.33 113.62 104.16 3cma n SER 189 Ca -0.06 0.71 -0.04 0.00 -0.26 0.00 0.00 58.87 59.21 3cma n SER 189 Cb 0.07 -0.79 0.33 0.00 -0.26 0.00 0.00 64.21 63.56 3cma n SER 189 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cma n ASN 190 N -2.16 5.03 -0.16 4.04 3.02 -0.66 -4.87 115.26 119.49 3cma n ASN 190 Ca -0.00 -3.18 -0.02 0.00 -0.03 0.00 0.00 54.58 51.34 3cma n ASN 190 Cb 0.08 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 3cma n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cma n GLY 191 N -0.03 0.48 3.32 7.41 0.00 -0.44 -3.54 105.19 112.40 3cma n GLY 191 Ca 0.39 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3cma n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 192 N -1.51 -1.05 0.00 -0.02 0.00 -0.21 -4.93 105.19 97.47 3cma n GLY 192 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3cma n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cma n LYS 193 N -3.44 1.12 0.00 1.61 5.02 -1.23 -5.05 118.16 116.18 3cma n LYS 193 Ca -0.10 -0.96 0.15 0.00 -2.02 0.00 0.00 58.31 55.37 3cma n LYS 193 Cb 0.62 -0.93 0.87 0.00 -0.02 0.00 0.00 35.03 35.57 3cma n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29