#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma n GLU 5 N 0.00 -0.32 -3.51 0.00 1.02 -1.26 -5.05 120.64 111.51 3cma n GLU 5 Ca 0.00 0.37 -0.26 0.00 -0.02 0.00 0.00 57.16 57.25 3cma n GLU 5 Cb 0.00 -0.25 -0.14 0.00 -0.02 0.00 0.00 31.44 31.03 3cma n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3cma s PHE 6 N -0.76 0.13 -0.68 -0.32 5.36 -1.26 -5.05 117.98 115.41 3cma s PHE 6 Ca 0.00 -0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 55.05 3cma s PHE 6 Cb 0.00 -0.78 -0.21 0.00 -0.34 0.00 0.00 43.02 41.68 3cma s PHE 6 CO 0.00 -0.82 1.86 -3.47 -1.46 0.00 0.00 175.22 171.32 3cma n ASP 7 N 5.27 2.09 -4.74 6.13 -0.08 -1.26 -4.90 116.55 119.06 3cma n ASP 7 Ca -0.05 -2.61 -0.41 0.00 -1.51 0.00 0.00 54.79 50.20 3cma n ASP 7 Cb 0.43 -1.14 -0.04 0.00 2.34 0.00 0.00 41.12 42.72 3cma n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cma s ALA 8 N 8.06 3.37 0.13 -1.67 0.00 -1.26 -4.91 121.76 125.48 3cma s ALA 8 Ca 0.65 0.82 0.09 0.00 0.00 0.00 0.00 51.96 53.52 3cma s ALA 8 Cb 0.10 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3cma s ALA 8 CO 0.19 -0.21 1.38 -0.44 0.00 0.00 0.00 175.76 176.68 3cma h ASP 9 N 5.07 0.00 -3.78 0.00 3.32 -1.30 -3.45 116.42 116.27 3cma h ASP 9 Ca -0.44 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.18 3cma h ASP 9 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 3cma h ASP 9 CO 0.72 0.86 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.62 3cma s VAL 10 N -2.95 0.77 -0.21 -1.35 1.01 -0.48 -4.98 120.40 112.21 3cma s VAL 10 Ca 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3cma s VAL 10 Cb 0.10 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.83 3cma s VAL 10 CO 0.80 0.25 -0.15 -0.63 0.00 0.00 0.00 175.10 175.36 3cma s ILE 11 N 0.24 2.04 -0.07 2.22 1.01 -1.26 -1.28 121.20 124.10 3cma s ILE 11 Ca -0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.33 3cma s ILE 11 Cb -0.09 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3cma s ILE 11 CO 0.01 0.26 0.15 -0.69 0.00 0.00 0.00 174.94 174.67 3cma s VAL 12 N 1.23 5.45 -0.42 2.92 1.01 -0.04 -0.15 120.40 130.40 3cma s VAL 12 Ca -0.01 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 3cma s VAL 12 Cb -0.16 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3cma s VAL 12 CO -0.09 0.50 0.31 -0.62 0.00 0.00 0.00 175.10 175.20 3cma s ASP 13 N -1.41 6.05 0.33 3.32 -1.08 0.10 -0.80 116.67 123.19 3cma s ASP 13 Ca 0.20 -1.05 0.26 0.00 -0.52 0.00 0.00 52.55 51.44 3cma s ASP 13 Cb -0.12 -2.14 0.75 0.00 -1.46 0.00 0.00 42.92 39.95 3cma s ASP 13 CO 0.10 -0.50 1.74 0.00 0.52 0.00 0.00 175.17 177.03 3cma h ALA 14 N 8.63 1.00 -1.48 3.66 0.00 -1.52 -3.44 119.26 126.11 3cma h ALA 14 Ca -0.27 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 3cma h ALA 14 Cb 1.11 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.94 3cma h ALA 14 CO 0.76 0.00 0.61 -2.13 0.00 0.00 0.00 179.25 178.49 3cma n ARG 15 N -2.63 0.91 -2.38 0.00 0.63 -1.26 -0.77 116.66 111.15 3cma n ARG 15 Ca 0.04 0.33 -0.19 0.00 -0.92 0.00 0.00 57.85 57.11 3cma n ARG 15 Cb 0.42 -1.96 -0.01 0.00 0.45 0.00 0.00 32.46 31.36 3cma n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cma n ASP 16 N 3.68 -5.49 -4.35 6.15 8.00 -0.66 -4.95 116.55 118.94 3cma n ASP 16 Ca 0.23 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 3cma n ASP 16 Cb 0.13 -4.59 -0.15 0.00 -0.02 0.00 0.00 41.12 36.49 3cma n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma s ILE 18 N -0.68 3.16 0.18 0.00 1.01 0.27 -1.37 121.20 123.77 3cma s ILE 18 Ca 0.11 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 3cma s ILE 18 Cb -0.10 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 39.11 3cma s ILE 18 CO 0.00 -0.24 1.55 -0.03 0.00 0.00 0.00 174.94 176.22 3cma h MET 19 N 16.08 -0.07 -0.98 2.79 1.85 -1.41 -0.95 114.93 132.23 3cma h MET 19 Ca -0.31 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 58.90 3cma h MET 19 Cb 1.22 0.02 -0.09 0.00 0.43 0.00 0.00 31.60 33.18 3cma h MET 19 CO 1.08 -0.05 0.61 0.78 -0.40 0.00 0.00 176.91 178.93 3cma h GLY 20 N -0.08 1.61 1.74 1.39 0.00 -1.90 0.13 103.07 105.97 3cma h GLY 20 Ca 0.21 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 3cma h GLY 20 CO -0.88 0.14 -0.63 3.21 0.00 0.00 0.00 176.54 178.38 3cma h ARG 21 N 0.95 0.27 -0.14 4.80 3.08 -1.61 -1.87 114.38 119.85 3cma h ARG 21 Ca 0.49 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3cma h ARG 21 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3cma h ARG 21 CO -0.28 0.81 -0.21 0.28 -1.07 0.00 0.00 179.97 179.50 3cma h VAL 22 N 0.20 1.36 -0.79 2.04 2.07 -0.47 -3.15 116.25 117.51 3cma h VAL 22 Ca -0.01 -1.43 0.10 0.00 0.82 0.00 0.00 66.70 66.18 3cma h VAL 22 Cb 1.14 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.79 3cma h VAL 22 CO 0.10 0.42 0.43 0.00 0.02 0.00 0.00 177.57 178.54 3cma h ALA 23 N 0.57 1.13 -0.53 1.67 0.00 -0.68 -1.45 119.26 119.97 3cma h ALA 23 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cma h ALA 23 Cb 0.77 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3cma h ALA 23 CO 0.05 0.04 0.34 1.03 0.00 0.00 0.00 179.25 180.70 3cma h SER 24 N 0.72 0.62 0.39 0.00 0.87 -1.30 -1.10 113.55 113.74 3cma h SER 24 Ca 0.39 -0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.61 3cma h SER 24 Cb 0.39 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3cma h SER 24 CO -0.26 0.46 -1.52 1.56 -0.53 0.00 0.00 176.83 176.53 3cma h GLN 25 N 0.73 0.34 0.00 2.24 4.20 -1.35 -2.96 115.11 118.31 3cma h GLN 25 Ca 0.19 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 3cma h GLN 25 Cb -0.06 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3cma h GLN 25 CO -0.04 1.23 -0.20 0.28 -0.67 0.00 0.00 178.83 179.44 3cma h VAL 26 N 0.09 0.67 0.10 -0.54 2.07 -1.11 -1.18 116.25 116.35 3cma h VAL 26 Ca -0.25 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3cma h VAL 26 Cb 2.06 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3cma h VAL 26 CO 0.19 0.19 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 3cma h ALA 27 N 1.80 -0.13 -0.59 1.67 0.00 -1.22 -2.21 119.26 118.58 3cma h ALA 27 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3cma h ALA 27 Cb 0.53 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3cma h ALA 27 CO 0.03 -0.29 0.38 1.49 0.00 0.00 0.00 179.25 180.86 3cma h GLU 28 N -0.70 0.76 -0.29 0.00 4.57 -1.33 -2.31 114.58 115.28 3cma h GLU 28 Ca -0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3cma h GLU 28 Cb 0.54 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3cma h GLU 28 CO 0.02 0.50 0.18 1.96 -1.18 0.00 0.00 179.01 180.49 3cma h GLN 29 N 0.78 0.39 -0.93 1.92 4.20 -1.27 -1.78 115.11 118.41 3cma h GLN 29 Ca 0.22 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.01 3cma h GLN 29 Cb -0.06 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.56 3cma h GLN 29 CO -0.06 0.29 0.60 0.00 -0.67 0.00 0.00 178.83 178.99 3cma h ALA 30 N 1.07 1.62 0.00 3.87 0.00 -1.14 0.73 119.26 125.42 3cma h ALA 30 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3cma h ALA 30 Cb -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cma h ALA 30 CO -0.02 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3cma n LEU 31 N -4.55 0.41 -1.62 0.00 4.77 -0.83 -1.43 117.00 113.74 3cma n LEU 31 Ca 0.16 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.82 3cma n LEU 31 Cb 0.34 -0.52 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 3cma n LEU 31 CO 0.30 -0.37 0.83 0.47 -1.33 0.00 0.00 177.39 177.28 3cma n ASP 32 N -1.94 4.94 0.00 -1.43 8.00 0.24 -4.91 116.55 121.45 3cma n ASP 32 Ca 0.03 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3cma n ASP 32 Cb 0.24 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3cma n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cma n GLY 33 N 0.98 1.40 3.77 0.44 0.00 -0.51 -5.04 105.19 106.23 3cma n GLY 33 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3cma n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 34 N -0.49 3.89 -0.32 1.61 0.41 -0.54 -4.95 118.70 118.31 3cma s GLU 34 Ca 0.00 2.02 -0.10 0.00 -0.41 0.00 0.00 54.97 56.48 3cma s GLU 34 Cb 0.00 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.70 3cma s GLU 34 CO 0.00 -0.51 0.16 0.99 -0.49 0.00 0.00 175.26 175.41 3cma s THR 35 N -1.35 4.69 0.12 3.63 2.01 -1.26 -4.01 115.64 119.47 3cma s THR 35 Ca 0.59 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.26 3cma s THR 35 Cb -0.35 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3cma s THR 35 CO 0.44 0.05 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 3cma s VAL 36 N 1.63 3.46 -0.18 3.82 1.01 -0.99 -0.78 120.40 128.37 3cma s VAL 36 Ca 0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.69 3cma s VAL 36 Cb -0.17 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.61 3cma s VAL 36 CO 0.07 0.05 0.03 0.00 0.00 0.00 0.00 175.10 175.25 3cma s ALA 37 N -1.36 0.94 -0.27 5.51 0.00 -0.41 -1.96 121.76 124.22 3cma s ALA 37 Ca 0.23 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 3cma s ALA 37 Cb -0.11 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3cma s ALA 37 CO 0.15 -1.07 0.59 0.08 0.00 0.00 0.00 175.76 175.52 3cma s VAL 38 N 1.88 5.00 0.21 0.00 1.01 -0.23 -0.86 120.40 127.42 3cma s VAL 38 Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.03 3cma s VAL 38 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3cma s VAL 38 CO -0.08 0.01 0.22 -0.69 0.00 0.00 0.00 175.10 174.56 3cma s VAL 39 N 2.46 4.70 -1.41 2.92 1.01 0.02 0.31 120.40 130.41 3cma s VAL 39 Ca 0.24 -1.16 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3cma s VAL 39 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3cma s VAL 39 CO 0.09 -0.25 1.06 0.59 0.00 0.00 0.00 175.10 176.60 3cma n ASN 40 N -0.91 -6.11 -0.25 3.32 3.02 0.13 -1.48 115.26 112.97 3cma n ASN 40 Ca -0.08 -0.53 0.06 0.00 -0.03 0.00 0.00 54.58 54.00 3cma n ASN 40 Cb 0.56 -4.83 0.19 0.00 -0.61 0.00 0.00 39.78 35.09 3cma n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cma h ALA 41 N 1.01 0.96 -0.41 5.41 0.00 -1.28 0.74 119.26 125.70 3cma h ALA 41 Ca -0.56 0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.65 3cma h ALA 41 Cb 1.37 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3cma h ALA 41 CO 0.58 -0.36 0.39 1.05 0.00 0.00 0.00 179.25 180.91 3cma h GLU 42 N 0.24 0.00 -0.64 0.00 9.09 -1.84 0.84 114.58 122.27 3cma h GLU 42 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3cma h GLU 42 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 3cma h GLU 42 CO -0.54 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.06 3cma n ARG 43 N -3.89 2.85 -1.53 1.06 1.74 0.25 -1.61 116.66 115.52 3cma n ARG 43 Ca 0.07 -2.36 -0.31 0.00 -0.77 0.00 0.00 57.85 54.47 3cma n ARG 43 Cb 0.57 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3cma n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cma s ALA 44 N -1.43 2.54 0.01 7.54 0.00 0.29 -1.65 121.76 129.06 3cma s ALA 44 Ca 0.43 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3cma s ALA 44 Cb 0.25 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 3cma s ALA 44 CO 0.26 -1.36 -0.09 0.54 0.00 0.00 0.00 175.76 175.11 3cma s VAL 45 N -2.89 0.71 -0.07 0.00 0.11 -0.47 -1.88 120.40 115.91 3cma s VAL 45 Ca 0.60 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3cma s VAL 45 Cb -0.16 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3cma s VAL 45 CO 0.53 0.10 -0.20 0.27 -3.33 0.00 0.00 175.10 172.46 3cma s ILE 46 N -0.42 1.70 0.58 7.04 -4.36 -0.84 -1.03 121.20 123.87 3cma s ILE 46 Ca 0.02 -0.84 -0.15 0.00 -0.26 0.00 0.00 60.65 59.41 3cma s ILE 46 Cb -0.05 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.15 3cma s ILE 46 CO -0.00 0.48 1.03 -0.89 0.24 0.00 0.00 174.94 175.80 3cma s THR 47 N 0.21 4.15 -3.60 8.37 2.01 -1.26 -0.95 115.64 124.56 3cma s THR 47 Ca -0.10 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.86 3cma s THR 47 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3cma s THR 47 CO 0.05 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 3cma n GLY 48 N -1.42 0.81 3.32 4.40 0.00 -0.71 -4.89 105.19 106.70 3cma n GLY 48 Ca 0.08 -2.01 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 3cma n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cma s ARG 49 N -1.44 3.09 0.10 1.61 3.52 -1.26 -3.38 118.95 121.19 3cma s ARG 49 Ca 0.00 -1.81 -0.04 0.00 -0.13 0.00 0.00 55.73 53.75 3cma s ARG 49 Cb 0.00 -4.32 0.16 0.00 -1.56 0.00 0.00 34.95 29.22 3cma s ARG 49 CO 0.00 -1.34 0.61 -1.91 -0.81 0.00 0.00 175.30 171.86 3cma n GLU 50 N 5.11 -0.05 -0.08 5.12 2.13 -1.26 0.13 120.64 131.73 3cma n GLU 50 Ca -0.09 0.61 -0.06 0.00 0.66 0.00 0.00 57.16 58.27 3cma n GLU 50 Cb 0.41 -0.91 -0.00 0.00 0.27 0.00 0.00 31.44 31.21 3cma n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3cma h GLU 51 N 0.00 -0.11 -0.28 5.31 3.07 -1.99 -0.28 114.58 120.30 3cma h GLU 51 Ca 0.17 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 3cma h GLU 51 Cb 0.27 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3cma h GLU 51 CO -0.40 -0.07 -0.06 -0.56 -1.40 0.00 0.00 179.01 176.52 3cma h GLN 52 N -0.11 0.54 -0.17 2.33 -0.00 -0.74 -2.26 115.11 114.69 3cma h GLN 52 Ca 0.16 -0.20 0.05 0.00 -0.00 0.00 0.00 58.65 58.66 3cma h GLN 52 Cb 0.36 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.48 27.76 3cma h GLN 52 CO -0.39 0.74 -0.18 0.82 -0.00 0.00 0.00 178.83 179.82 3cma h ILE 53 N 0.30 0.53 -0.24 1.86 2.04 -1.05 -0.57 117.51 120.38 3cma h ILE 53 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3cma h ILE 53 Cb 0.54 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3cma h ILE 53 CO 0.03 0.00 0.11 0.58 0.00 0.00 0.00 178.15 178.87 3cma h VAL 54 N -0.21 1.09 -0.72 1.67 2.07 -1.05 -1.37 116.25 117.73 3cma h VAL 54 Ca 0.11 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3cma h VAL 54 Cb 0.37 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3cma h VAL 54 CO -0.29 0.10 0.20 -0.08 0.02 0.00 0.00 177.57 177.52 3cma h GLU 55 N 0.33 1.14 -0.40 1.57 4.81 -0.52 -0.71 114.58 120.78 3cma h GLU 55 Ca 0.08 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 3cma h GLU 55 Cb 0.04 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3cma h GLU 55 CO -0.01 0.98 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.74 3cma h LYS 56 N 1.09 0.87 0.00 1.92 3.64 -0.26 -2.45 116.57 121.38 3cma h LYS 56 Ca 0.23 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3cma h LYS 56 Cb 0.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3cma h LYS 56 CO -0.00 1.05 -0.25 1.88 -2.27 0.00 0.00 179.45 179.85 3cma h TYR 57 N 0.74 0.00 -0.05 1.91 -1.99 -1.20 -3.05 116.97 113.33 3cma h TYR 57 Ca 0.08 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.60 3cma h TYR 57 Cb 0.85 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.58 3cma h TYR 57 CO 0.05 0.25 -0.85 0.93 -0.00 0.00 0.00 178.16 178.54 3cma h GLU 58 N 0.00 0.49 -0.61 4.88 5.08 -0.99 -3.02 114.58 120.41 3cma h GLU 58 Ca -0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3cma h GLU 58 Cb 1.03 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3cma h GLU 58 CO 0.03 1.09 0.26 -0.22 -1.00 0.00 0.00 179.01 179.18 3cma h LYS 59 N 0.31 0.87 0.00 2.33 1.63 -1.38 -0.78 116.57 119.55 3cma h LYS 59 Ca -0.06 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 3cma h LYS 59 Cb 1.46 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 3cma h LYS 59 CO 0.15 0.70 -0.14 0.00 -3.45 0.00 0.00 179.45 176.71 3cma h ARG 60 N 0.87 0.00 0.11 1.90 3.08 -1.44 0.58 114.38 119.47 3cma h ARG 60 Ca 0.21 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.97 3cma h ARG 60 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3cma h ARG 60 CO -0.02 0.14 -1.38 0.28 -1.07 0.00 0.00 179.97 177.91 3cma h VAL 61 N 0.00 1.32 0.02 2.04 2.07 -1.12 -3.34 116.25 117.24 3cma h VAL 61 Ca -0.00 -2.95 -0.20 0.00 0.82 0.00 0.00 66.70 64.36 3cma h VAL 61 Cb 0.44 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3cma h VAL 61 CO 0.02 0.85 -0.95 0.44 0.02 0.00 0.00 177.57 177.94 3cma h ASP 62 N 0.06 0.11 -3.95 0.57 3.32 -0.46 -3.46 116.42 112.61 3cma h ASP 62 Ca -0.18 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 3cma h ASP 62 Cb 1.98 -0.03 0.19 0.00 0.22 0.00 0.00 39.33 41.68 3cma h ASP 62 CO 0.17 1.00 0.10 -0.38 -1.72 0.00 0.00 179.24 178.41 3cma n ILE 63 N -3.50 1.60 0.00 0.35 5.41 0.13 -4.93 119.36 118.41 3cma n ILE 63 Ca -0.02 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3cma n ILE 63 Cb 0.88 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 3cma n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cma n GLY 64 N 0.81 1.74 0.00 7.39 0.00 -1.26 -4.67 105.19 109.20 3cma n GLY 64 Ca 0.12 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3cma n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cma n ASN 65 N 0.00 0.00 -0.35 1.61 0.23 -1.26 -4.92 115.26 110.57 3cma n ASN 65 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 3cma n ASN 65 Cb 0.00 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 37.87 3cma n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3cma h ASP 66 N 0.00 1.04 -0.62 0.53 3.32 -2.05 -0.31 116.42 118.34 3cma h ASP 66 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3cma h ASP 66 Cb 0.00 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3cma h ASP 66 CO 0.00 0.70 0.23 -1.13 -1.72 0.00 0.00 179.24 177.32 3cma h ASN 67 N 1.20 0.86 -3.35 6.45 -0.73 -2.05 -3.48 115.58 114.48 3cma h ASN 67 Ca 0.39 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.38 3cma h ASN 67 Cb 0.05 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.41 3cma h ASN 67 CO -0.13 0.81 0.00 0.61 -0.37 0.00 0.00 177.43 178.35 3cma n GLY 68 N -0.79 0.52 2.28 1.57 0.00 -0.13 -4.96 105.19 103.68 3cma n GLY 68 Ca 0.04 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 3cma n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cma n TYR 69 N 0.92 0.62 -1.62 1.61 9.36 -1.26 -4.81 117.16 121.97 3cma n TYR 69 Ca 0.00 -3.77 -0.50 0.00 3.32 0.00 0.00 57.90 56.95 3cma n TYR 69 Cb 0.00 -0.41 -0.06 0.00 -0.63 0.00 0.00 39.34 38.24 3cma n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3cma n PHE 70 N 0.64 2.09 -4.61 2.98 7.35 -1.26 -4.82 117.46 119.83 3cma n PHE 70 Ca 0.25 0.13 -0.28 0.00 -0.76 0.00 0.00 57.45 56.79 3cma n PHE 70 Cb 0.57 -2.61 -0.17 0.00 0.35 0.00 0.00 39.48 37.63 3cma n PHE 70 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3cma s TYR 71 N 5.13 1.93 0.49 -5.13 5.04 -1.26 -5.12 117.35 118.42 3cma s TYR 71 Ca 0.98 -0.85 -0.23 0.00 -2.44 0.00 0.00 57.07 54.53 3cma s TYR 71 Cb -0.76 -1.38 -0.07 0.00 0.35 0.00 0.00 41.96 40.10 3cma s TYR 71 CO 0.52 -0.42 1.34 -1.25 -1.34 0.00 0.00 175.55 174.40 3cma s PRO 72 N 0.81 3.50 -0.02 4.97 0.04 -1.26 -4.88 135.00 138.15 3cma s PRO 72 Ca -0.11 2.20 0.04 0.00 0.04 0.00 0.00 61.00 63.17 3cma s PRO 72 Cb -0.16 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 3cma s PRO 72 CO 0.01 -0.89 0.05 1.63 0.04 0.00 0.00 177.00 177.85 3cma n LYS 73 N -0.55 1.82 -2.45 4.56 5.02 -1.26 -5.02 118.16 120.26 3cma n LYS 73 Ca 0.08 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 3cma n LYS 73 Cb 0.44 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 3cma n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cma s ARG 74 N -2.20 4.39 0.59 1.97 1.81 -1.26 -4.10 118.95 120.15 3cma s ARG 74 Ca -0.02 1.74 0.33 0.00 -1.72 0.00 0.00 55.73 56.06 3cma s ARG 74 Cb 0.02 -2.91 1.86 0.00 -0.45 0.00 0.00 34.95 33.47 3cma s ARG 74 CO 0.18 0.01 2.23 -1.00 -0.68 0.00 0.00 175.30 176.03 3cma h PRO 75 N 3.21 0.00 0.00 3.54 0.13 -1.94 -3.12 132.00 133.82 3cma h PRO 75 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3cma h PRO 75 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3cma h PRO 75 CO 0.65 0.03 0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 3cma n ASP 76 N -3.59 0.00 -3.83 1.44 -0.08 -1.26 -3.21 116.55 106.02 3cma n ASP 76 Ca -0.03 0.52 -0.09 0.00 -1.51 0.00 0.00 54.79 53.68 3cma n ASP 76 Cb 0.13 -0.21 -0.05 0.00 2.34 0.00 0.00 41.12 43.33 3cma n ASP 76 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3cma s GLY 77 N -0.66 0.14 0.02 0.27 0.00 -1.18 -4.01 107.32 101.90 3cma s GLY 77 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3cma s GLY 77 CO 0.00 -0.46 0.00 0.29 0.00 0.00 0.00 173.10 172.93 3cma n ILE 78 N -0.31 0.00 -0.16 0.90 -5.35 -1.26 -0.88 119.36 112.30 3cma n ILE 78 Ca -0.08 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.33 3cma n ILE 78 Cb 0.62 -0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.50 3cma n ILE 78 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3cma h PHE 79 N -0.09 0.60 -0.97 4.28 -0.00 -1.71 -1.11 116.94 117.93 3cma h PHE 79 Ca 0.00 0.01 0.05 0.00 -0.00 0.00 0.00 57.97 58.03 3cma h PHE 79 Cb 0.09 -0.20 -0.06 0.00 -0.00 0.00 0.00 35.95 35.78 3cma h PHE 79 CO -0.21 0.38 0.63 -0.22 -0.00 0.00 0.00 178.31 178.89 3cma h LYS 80 N 0.64 1.15 -0.53 1.11 1.63 -1.63 -1.41 116.57 117.52 3cma h LYS 80 Ca 0.17 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.78 3cma h LYS 80 Cb -0.06 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.29 3cma h LYS 80 CO -0.04 0.76 -0.15 -0.09 -3.45 0.00 0.00 179.45 176.48 3cma h ARG 81 N 1.18 1.03 -0.74 1.90 9.65 -0.44 -1.57 114.38 125.39 3cma h ARG 81 Ca 0.41 -0.40 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 3cma h ARG 81 Cb 0.09 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 3cma h ARG 81 CO -0.15 1.09 0.49 1.15 2.80 0.00 0.00 179.97 185.35 3cma h THR 82 N 0.90 0.99 -0.06 0.20 2.02 -0.20 -1.46 112.91 115.30 3cma h THR 82 Ca 0.13 -0.25 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 3cma h THR 82 Cb 0.72 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3cma h THR 82 CO 0.06 0.13 -0.63 0.40 0.37 0.00 0.00 175.52 175.85 3cma h ILE 83 N 0.73 1.37 -0.01 3.11 2.04 -1.05 -3.20 117.51 120.49 3cma h ILE 83 Ca 0.33 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3cma h ILE 83 Cb 0.34 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3cma h ILE 83 CO -0.12 0.59 0.01 -0.09 0.00 0.00 0.00 178.15 178.54 3cma h ARG 84 N 0.12 0.00 0.00 2.37 2.43 -0.46 0.28 114.38 119.12 3cma h ARG 84 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3cma h ARG 84 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3cma h ARG 84 CO 0.13 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.00 3cma n GLY 85 N -1.41 -0.97 0.05 2.80 0.00 -0.63 -2.38 105.19 102.64 3cma n GLY 85 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3cma n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cma n MET 86 N -0.92 2.19 -4.86 1.61 2.81 0.08 -4.99 117.12 113.03 3cma n MET 86 Ca 0.20 -1.34 -0.25 0.00 -1.81 0.00 0.00 57.70 54.50 3cma n MET 86 Cb 0.09 -1.02 -0.15 0.00 -0.71 0.00 0.00 33.22 31.43 3cma n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3cma s LEU 87 N -0.81 2.03 -1.42 4.03 1.43 -1.00 -4.93 118.68 118.01 3cma s LEU 87 Ca 0.02 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3cma s LEU 87 Cb 0.01 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.34 3cma s LEU 87 CO 0.01 0.22 2.20 -0.81 0.23 0.00 0.00 176.35 178.21 3cma n PRO 88 N 2.64 2.80 0.00 1.29 -0.04 -1.26 -4.73 135.00 135.70 3cma n PRO 88 Ca -0.15 -2.58 0.03 0.00 -0.04 0.00 0.00 63.50 60.76 3cma n PRO 88 Cb 0.54 -3.28 0.20 0.00 -0.04 0.00 0.00 33.50 30.92 3cma n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3cma n HIS 89 N 6.23 0.00 0.45 0.54 1.44 -1.26 -2.12 115.22 120.49 3cma n HIS 89 Ca 0.52 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.31 3cma n HIS 89 Cb 0.39 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.61 3cma n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cma n LYS 90 N -0.97 1.70 -4.11 -1.40 5.02 -1.26 -4.13 118.16 113.01 3cma n LYS 90 Ca 0.05 -1.71 -0.27 0.00 -2.02 0.00 0.00 58.31 54.36 3cma n LYS 90 Cb 0.02 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3cma n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cma s LYS 91 N -1.29 2.76 0.10 1.97 1.02 -0.90 -4.96 119.74 118.44 3cma s LYS 91 Ca 0.23 -0.90 -0.33 0.00 0.02 0.00 0.00 55.97 54.99 3cma s LYS 91 Cb 0.15 -2.58 -0.14 0.00 -0.52 0.00 0.00 37.83 34.74 3cma s LYS 91 CO 0.22 0.49 1.54 0.37 -0.92 0.00 0.00 175.35 177.04 3cma h GLN 92 N 2.65 -0.68 -0.39 1.68 4.15 -1.92 0.11 115.11 120.71 3cma h GLN 92 Ca -0.47 0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.06 3cma h GLN 92 Cb 1.19 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.98 3cma h GLN 92 CO 0.62 -0.45 0.03 -0.09 -1.93 0.00 0.00 178.83 177.01 3cma h ARG 93 N -0.71 0.13 -0.22 1.69 2.43 -1.96 -0.96 114.38 114.79 3cma h ARG 93 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3cma h ARG 93 Cb 0.73 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3cma h ARG 93 CO -0.30 0.09 0.05 0.78 -1.51 0.00 0.00 179.97 179.07 3cma h GLY 94 N 0.14 0.24 1.15 2.80 0.00 -1.55 -1.48 103.07 104.38 3cma h GLY 94 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3cma h GLY 94 CO -0.29 0.00 0.50 -0.09 0.00 0.00 0.00 176.54 176.66 3cma h ARG 95 N 0.13 1.12 0.09 4.80 2.43 -0.43 -1.17 114.38 121.36 3cma h ARG 95 Ca 0.10 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3cma h ARG 95 Cb 0.09 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3cma h ARG 95 CO -0.13 0.79 -0.13 0.93 -1.51 0.00 0.00 179.97 179.92 3cma h GLU 96 N 1.14 -0.26 0.24 0.20 5.08 -0.52 0.59 114.58 121.05 3cma h GLU 96 Ca 0.30 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3cma h GLU 96 Cb -0.05 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3cma h GLU 96 CO -0.06 -0.17 -0.25 0.00 -1.00 0.00 0.00 179.01 177.54 3cma h ALA 97 N 0.61 -0.50 -0.56 3.43 0.00 -0.95 -2.41 119.26 118.87 3cma h ALA 97 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3cma h ALA 97 Cb 0.28 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3cma h ALA 97 CO -0.07 -0.81 0.11 0.35 0.00 0.00 0.00 179.25 178.83 3cma h PHE 98 N -0.52 0.17 0.00 0.00 3.57 -1.03 0.25 116.94 119.38 3cma h PHE 98 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3cma h PHE 98 Cb 0.49 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3cma h PHE 98 CO -0.17 -0.03 0.00 0.39 -2.23 0.00 0.00 178.31 176.27 3cma n GLU 99 N -5.13 0.32 -0.91 1.11 1.02 0.18 -2.01 120.64 115.23 3cma n GLU 99 Ca 0.08 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 3cma n GLU 99 Cb 0.29 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.42 3cma n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cma n SER 100 N -1.22 3.02 -3.80 1.62 3.41 0.07 -4.89 113.62 111.85 3cma n SER 100 Ca 0.10 -3.66 -0.17 0.00 -0.26 0.00 0.00 58.87 54.88 3cma n SER 100 Cb 0.12 -0.69 -0.16 0.00 -0.26 0.00 0.00 64.21 63.22 3cma n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cma s VAL 101 N -3.22 0.12 0.02 -3.33 1.01 -0.85 -2.34 120.40 111.80 3cma s VAL 101 Ca 0.48 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.63 3cma s VAL 101 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.55 3cma s VAL 101 CO 0.04 0.14 -0.10 -0.13 0.00 0.00 0.00 175.10 175.05 3cma s ARG 102 N 1.14 0.69 -0.06 2.72 0.52 -0.83 -5.00 118.95 118.13 3cma s ARG 102 Ca -0.08 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 3cma s ARG 102 Cb -0.13 -0.62 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 3cma s ARG 102 CO -0.02 0.16 -0.09 0.08 0.02 0.00 0.00 175.30 175.44 3cma s VAL 103 N -0.68 3.48 0.10 3.52 1.01 -1.26 -1.06 120.40 125.51 3cma s VAL 103 Ca -0.01 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3cma s VAL 103 Cb -0.06 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3cma s VAL 103 CO 0.00 0.59 -0.15 -0.31 0.00 0.00 0.00 175.10 175.23 3cma s TYR 104 N -0.79 1.41 -0.19 5.22 1.51 0.15 -4.88 117.35 119.77 3cma s TYR 104 Ca 0.12 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.47 3cma s TYR 104 Cb -0.11 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 3cma s TYR 104 CO 0.01 0.13 0.70 -0.51 -1.11 0.00 0.00 175.55 174.77 3cma s LEU 105 N -2.08 4.15 0.00 -1.29 1.43 -1.26 -0.95 118.68 118.68 3cma s LEU 105 Ca 0.04 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3cma s LEU 105 Cb -0.08 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.14 3cma s LEU 105 CO 0.03 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3cma n GLY 106 N 3.70 -0.22 2.77 -3.19 0.00 -1.26 -4.66 105.19 102.33 3cma n GLY 106 Ca 0.01 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 3cma n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cma s ASN 107 N -4.00 3.57 0.00 1.61 3.04 -1.26 0.17 114.94 118.07 3cma s ASN 107 Ca 0.00 -1.25 0.07 0.00 0.04 0.00 0.00 52.86 51.72 3cma s ASN 107 Cb 0.00 -0.81 0.38 0.00 -1.54 0.00 0.00 41.25 39.27 3cma s ASN 107 CO 0.00 -0.34 1.24 -0.81 -3.04 0.00 0.00 177.10 174.15 3cma n PRO 108 N 4.90 1.03 -4.10 0.43 -0.04 -1.26 -4.84 135.00 131.13 3cma n PRO 108 Ca -0.06 -0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 3cma n PRO 108 Cb 0.44 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 3cma n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3cma s TYR 109 N -1.98 3.16 0.09 0.54 1.51 -1.26 -5.02 117.35 114.39 3cma s TYR 109 Ca 0.10 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3cma s TYR 109 Cb 0.05 -1.43 -0.25 0.00 -0.11 0.00 0.00 41.96 40.21 3cma s TYR 109 CO 0.08 0.51 1.19 -0.44 -1.11 0.00 0.00 175.55 175.78 3cma h ASP 110 N 1.51 0.29 -2.33 2.29 3.32 -2.06 -3.45 116.42 115.98 3cma h ASP 110 Ca -0.49 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.07 3cma h ASP 110 Cb 1.24 -0.09 0.09 0.00 0.22 0.00 0.00 39.33 40.78 3cma h ASP 110 CO 0.61 1.24 0.04 1.21 -1.72 0.00 0.00 179.24 180.62 3cma n GLU 111 N -3.48 -2.12 -3.81 3.56 2.13 -1.26 -5.05 120.64 110.60 3cma n GLU 111 Ca -0.06 -0.81 -0.26 0.00 0.66 0.00 0.00 57.16 56.69 3cma n GLU 111 Cb 0.99 -0.78 -0.17 0.00 0.27 0.00 0.00 31.44 31.76 3cma n GLU 111 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3cma s ASP 112 N -2.86 2.36 0.70 4.31 1.11 -1.26 -5.05 116.67 115.98 3cma s ASP 112 Ca 0.33 -0.47 -0.16 0.00 0.18 0.00 0.00 52.55 52.43 3cma s ASP 112 Cb -0.03 -0.67 -0.04 0.00 1.07 0.00 0.00 42.92 43.24 3cma s ASP 112 CO 0.26 -0.21 0.56 0.61 1.18 0.00 0.00 175.17 177.57 3cma n GLY 113 N 5.02 -1.44 3.94 0.21 0.00 -1.26 -4.97 105.19 106.68 3cma n GLY 113 Ca -0.10 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 3cma n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cma s GLU 114 N -2.71 2.84 -0.37 1.61 -1.05 0.79 -4.27 118.70 115.55 3cma s GLU 114 Ca 0.67 -0.30 -0.08 0.00 -0.15 0.00 0.00 54.97 55.10 3cma s GLU 114 Cb -0.36 -2.39 0.04 0.00 -0.44 0.00 0.00 34.13 30.98 3cma s GLU 114 CO 0.57 -0.61 0.17 0.08 0.95 0.00 0.00 175.26 176.42 3cma s VAL 115 N -2.83 4.14 0.42 1.83 1.01 -1.26 0.03 120.40 123.73 3cma s VAL 115 Ca 0.53 -1.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3cma s VAL 115 Cb -0.10 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3cma s VAL 115 CO 0.42 -0.26 1.46 0.18 0.00 0.00 0.00 175.10 176.90 3cma n LEU 116 N 4.89 4.98 -4.76 3.92 4.77 -1.26 -4.93 117.00 124.62 3cma n LEU 116 Ca -0.12 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.66 3cma n LEU 116 Cb 0.45 -1.61 0.02 0.00 -2.33 0.00 0.00 43.42 39.95 3cma n LEU 116 CO 0.35 -0.02 0.88 -1.81 -1.33 0.00 0.00 177.39 175.46 3cma s ASP 117 N -0.32 5.57 0.00 -1.43 1.01 -1.26 -3.08 116.67 117.17 3cma s ASP 117 Ca 0.58 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.30 3cma s ASP 117 Cb -0.46 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 40.86 3cma s ASP 117 CO 0.60 -1.34 0.00 0.61 0.21 0.00 0.00 175.17 175.25 3cma n GLY 118 N 0.54 2.38 1.44 0.21 0.00 -1.26 -4.83 105.19 103.67 3cma n GLY 118 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3cma n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cma n THR 119 N -2.00 1.30 -3.70 2.61 -2.24 -1.18 -4.95 114.28 104.13 3cma n THR 119 Ca 0.00 -1.07 -0.37 0.00 -2.27 0.00 0.00 64.05 60.34 3cma n THR 119 Cb 0.00 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 3cma n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cma s SER 120 N -0.97 6.46 -0.23 3.42 0.15 -1.26 -0.56 113.70 120.70 3cma s SER 120 Ca 0.50 0.54 -0.08 0.00 0.70 0.00 0.00 55.95 57.61 3cma s SER 120 Cb 0.28 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3cma s SER 120 CO 0.30 0.28 0.08 -0.22 1.20 0.00 0.00 173.24 174.88 3cma s LEU 121 N -0.45 3.64 -0.58 3.45 2.96 0.35 -4.83 118.68 123.21 3cma s LEU 121 Ca 0.16 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 3cma s LEU 121 Cb -0.13 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.65 3cma s LEU 121 CO 0.05 0.04 0.94 -0.62 -1.32 0.00 0.00 176.35 175.44 3cma s ASP 122 N 1.17 6.28 0.61 3.68 2.15 -1.26 -4.85 116.67 124.45 3cma s ASP 122 Ca 0.05 -0.55 0.30 0.00 0.43 0.00 0.00 52.55 52.78 3cma s ASP 122 Cb -0.14 -2.43 1.69 0.00 -0.30 0.00 0.00 42.92 41.74 3cma s ASP 122 CO 0.04 -1.28 2.06 0.03 -0.17 0.00 0.00 175.17 175.85 3cma h ARG 123 N 9.38 0.00 0.00 4.34 3.08 -1.95 -0.32 114.38 128.91 3cma h ARG 123 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3cma h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3cma h ARG 123 CO 1.11 0.00 -0.01 1.28 -1.07 0.00 0.00 179.97 181.28 3cma n LEU 124 N -3.59 0.07 -0.13 3.04 4.77 -1.26 -3.27 117.00 116.62 3cma n LEU 124 Ca 0.02 0.49 0.02 0.00 -0.03 0.00 0.00 56.01 56.51 3cma n LEU 124 Cb 0.37 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3cma n LEU 124 CO 0.25 -0.01 0.53 -1.20 -1.33 0.00 0.00 177.39 175.63 3cma n SER 125 N -1.56 2.23 -3.77 -1.43 7.64 -0.15 -5.01 113.62 111.57 3cma n SER 125 Ca 0.07 -2.12 -0.13 0.00 1.01 0.00 0.00 58.87 57.71 3cma n SER 125 Cb 0.35 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3cma n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3cma s ASN 126 N -1.18 -0.19 -0.02 6.43 0.01 -1.11 -5.01 114.94 113.86 3cma s ASN 126 Ca 0.08 0.40 0.02 0.00 -0.71 0.00 0.00 52.86 52.65 3cma s ASN 126 Cb 0.05 0.34 -0.03 0.00 0.41 0.00 0.00 41.25 42.03 3cma s ASN 126 CO 0.03 -0.11 0.01 -0.38 -1.51 0.00 0.00 177.10 175.14 3cma n ILE 127 N 3.63 0.14 -3.08 0.60 5.41 -1.26 -4.76 119.36 120.04 3cma n ILE 127 Ca -0.20 -0.09 -0.44 0.00 1.00 0.00 0.00 62.75 63.02 3cma n ILE 127 Cb 0.55 -0.89 -0.00 0.00 -0.71 0.00 0.00 39.64 38.59 3cma n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3cma s LYS 128 N -2.06 4.09 0.20 0.38 1.02 -1.26 -4.94 119.74 117.16 3cma s LYS 128 Ca -0.01 -2.73 -0.17 0.00 0.02 0.00 0.00 55.97 53.07 3cma s LYS 128 Cb 0.01 -4.88 0.03 0.00 -0.52 0.00 0.00 37.83 32.46 3cma s LYS 128 CO 0.09 -1.59 0.52 -0.59 -0.92 0.00 0.00 175.35 172.86 3cma s PHE 129 N 0.71 -0.09 0.27 3.18 -0.12 -1.22 -1.73 117.98 118.98 3cma s PHE 129 Ca 0.38 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 57.02 3cma s PHE 129 Cb -0.05 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 3cma s PHE 129 CO -0.03 -0.92 0.05 0.08 -0.05 0.00 0.00 175.22 174.35 3cma s VAL 130 N -3.88 0.91 -0.12 -2.49 1.01 -0.13 -4.84 120.40 110.86 3cma s VAL 130 Ca 0.10 -2.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.07 3cma s VAL 130 Cb -0.01 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3cma s VAL 130 CO -0.02 -0.11 -0.12 -0.89 0.00 0.00 0.00 175.10 173.96 3cma s THR 131 N -3.51 3.16 0.38 3.92 2.01 -1.26 -1.99 115.64 118.36 3cma s THR 131 Ca 0.34 -0.63 0.19 0.00 0.31 0.00 0.00 61.69 61.90 3cma s THR 131 Cb 0.07 -2.32 0.39 0.00 0.01 0.00 0.00 72.50 70.65 3cma s THR 131 CO 0.13 0.53 1.72 -0.07 -0.69 0.00 0.00 174.62 176.24 3cma h LEU 132 N 6.51 0.45 -0.81 4.42 3.38 -1.42 0.63 115.31 128.47 3cma h LEU 132 Ca -0.29 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3cma h LEU 132 Cb 1.20 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3cma h LEU 132 CO 0.56 0.00 0.50 1.23 0.09 0.00 0.00 178.44 180.82 3cma h GLY 133 N 0.35 1.17 1.11 0.83 0.00 -1.58 0.15 103.07 105.10 3cma h GLY 133 Ca 0.67 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3cma h GLY 133 CO -0.40 0.47 0.23 0.83 0.00 0.00 0.00 176.54 177.67 3cma h GLU 134 N 1.11 1.12 0.10 4.80 5.08 -0.06 -0.93 114.58 125.80 3cma h GLU 134 Ca 0.29 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3cma h GLU 134 Cb -0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3cma h GLU 134 CO -0.06 0.95 -0.05 0.82 -1.00 0.00 0.00 179.01 179.68 3cma h ILE 135 N 1.08 1.07 -0.71 3.13 2.04 -0.61 -2.34 117.51 121.17 3cma h ILE 135 Ca 0.23 -0.66 0.12 0.00 1.00 0.00 0.00 64.86 65.55 3cma h ILE 135 Cb 0.30 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3cma h ILE 135 CO -0.01 0.16 0.47 0.28 0.00 0.00 0.00 178.15 179.06 3cma h SER 136 N -0.44 0.44 -0.25 1.72 0.02 -0.50 0.14 113.55 114.69 3cma h SER 136 Ca -0.01 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3cma h SER 136 Cb 0.37 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3cma h SER 136 CO 0.02 0.25 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.59 3cma h GLU 137 N 0.48 0.46 -0.29 3.45 5.08 -1.05 0.21 114.58 122.92 3cma h GLU 137 Ca 0.34 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3cma h GLU 137 Cb 0.66 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3cma h GLU 137 CO -0.11 0.67 0.12 1.15 -1.00 0.00 0.00 179.01 179.84 3cma h THR 138 N 0.22 1.18 0.00 1.13 2.02 -0.66 -1.65 112.91 115.15 3cma h THR 138 Ca 0.07 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3cma h THR 138 Cb 0.49 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3cma h THR 138 CO 0.02 0.19 0.08 -0.07 0.37 0.00 0.00 175.52 176.10 3cma h LEU 139 N 0.33 0.00 0.00 2.58 3.38 -0.69 -3.45 115.31 117.46 3cma h LEU 139 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3cma h LEU 139 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3cma h LEU 139 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3cma n GLY 140 N -1.24 0.77 3.76 0.83 0.00 -0.62 -5.07 105.19 103.62 3cma n GLY 140 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3cma n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 141 N -2.00 2.68 -0.21 4.61 0.00 0.68 -4.95 121.76 122.58 3cma s ALA 141 Ca 0.00 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 3cma s ALA 141 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3cma s ALA 141 CO 0.00 -1.12 0.98 1.21 0.00 0.00 0.00 175.76 176.83 3cma s ASN 142 N -1.41 7.06 -0.30 0.00 3.84 -1.26 -4.55 114.94 118.33 3cma s ASN 142 Ca 0.74 1.33 -0.28 0.00 0.21 0.00 0.00 52.86 54.86 3cma s ASN 142 Cb -0.32 -2.52 -0.30 0.00 -0.55 0.00 0.00 41.25 37.56 3cma s ASN 142 CO 0.37 -0.59 1.72 1.17 -2.79 0.00 0.00 177.10 176.97 3cma n LYS 143 N 5.99 0.56 -0.17 0.43 4.81 -1.26 -4.61 118.16 123.91 3cma n LYS 143 Ca 0.10 -1.32 0.00 0.00 -0.87 0.00 0.00 58.31 56.22 3cma n LYS 143 Cb 0.47 -2.67 0.26 0.00 0.02 0.00 0.00 35.03 33.11 3cma n LYS 143 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cma h THR 144 N 4.83 1.19 0.00 3.15 1.03 -2.03 -3.54 112.91 117.53 3cma h THR 144 Ca 0.32 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 3cma h THR 144 Cb 0.69 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 3cma h THR 144 CO 2.01 0.19 0.00 -2.67 -0.01 0.00 0.00 175.52 175.04