#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma n SER 35 N 0.00 4.28 0.28 6.43 7.64 -1.26 -4.31 113.62 126.67 3cma n SER 35 Ca 0.00 -3.04 0.17 0.00 1.01 0.00 0.00 58.87 57.02 3cma n SER 35 Cb 0.00 -0.72 0.71 0.00 -1.01 0.00 0.00 64.21 63.19 3cma n SER 35 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3cma h GLY 36 N 2.90 0.00 2.00 0.23 0.00 -1.97 -0.49 103.07 105.75 3cma h GLY 36 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3cma h GLY 36 CO 0.65 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.23 3cma n ARG 37 N -3.11 0.17 0.00 4.80 1.85 -1.26 -2.31 116.66 116.79 3cma n ARG 37 Ca 0.00 0.20 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 3cma n ARG 37 Cb 0.30 -1.72 0.35 0.00 -1.05 0.00 0.00 32.46 30.34 3cma n ARG 37 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3cma n PHE 38 N -2.01 0.00 -1.36 2.89 0.99 -0.19 -5.03 117.46 112.74 3cma n PHE 38 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 3cma n PHE 38 Cb 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.78 3cma n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cma n GLY 39 N 1.30 2.70 2.10 1.37 0.00 -0.98 -1.68 105.19 110.00 3cma n GLY 39 Ca 0.14 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3cma n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 40 N 8.55 5.56 -2.57 4.61 0.00 -1.26 -4.89 120.51 130.51 3cma n ALA 40 Ca 0.00 -3.06 -0.23 0.00 0.00 0.00 0.00 53.44 50.15 3cma n ALA 40 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3cma n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cma s ARG 41 N -3.40 2.25 0.00 0.00 0.52 -0.68 -4.78 118.95 112.87 3cma s ARG 41 Ca 0.57 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 3cma s ARG 41 Cb 0.47 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.85 3cma s ARG 41 CO 0.07 0.21 0.00 0.66 0.02 0.00 0.00 175.30 176.26 3cma n TYR 42 N -0.99 0.00 0.00 -0.53 0.53 -1.26 -4.89 117.16 110.01 3cma n TYR 42 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 3cma n TYR 42 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 3cma n TYR 42 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3cma n GLY 43 N 0.00 0.66 0.00 2.72 0.00 -1.26 -4.70 105.19 102.60 3cma n GLY 43 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3cma n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma n ARG 44 N 1.04 0.00 -0.15 1.61 1.74 -1.26 -2.62 116.66 117.03 3cma n ARG 44 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3cma n ARG 44 Cb 0.00 -0.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.91 3cma n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3cma n VAL 45 N 0.00 -0.24 -0.11 1.55 0.31 -1.26 0.75 118.33 119.34 3cma n VAL 45 Ca 0.00 1.07 -0.05 0.00 -0.01 0.00 0.00 64.34 65.34 3cma n VAL 45 Cb 0.00 -1.34 0.01 0.00 -0.91 0.00 0.00 33.84 31.60 3cma n VAL 45 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3cma h SER 46 N 0.00 -0.55 0.56 4.52 0.02 -1.84 0.15 113.55 116.40 3cma h SER 46 Ca 0.06 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3cma h SER 46 Cb 0.15 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3cma h SER 46 CO -0.33 -0.20 -0.21 -2.11 -1.14 0.00 0.00 176.83 172.85 3cma n ARG 47 N -5.35 0.32 0.07 3.45 1.85 -0.09 -2.55 116.66 114.37 3cma n ARG 47 Ca 0.02 -0.12 -0.22 0.00 -1.00 0.00 0.00 57.85 56.52 3cma n ARG 47 Cb 0.26 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.02 3cma n ARG 47 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 3cma h ARG 48 N 0.30 0.38 -0.42 2.89 2.43 0.15 -2.76 114.38 117.33 3cma h ARG 48 Ca 0.00 -0.64 -0.14 0.00 -0.81 0.00 0.00 59.98 58.39 3cma h ARG 48 Cb 0.45 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3cma h ARG 48 CO 0.00 1.31 -0.29 0.00 -1.51 0.00 0.00 179.97 179.48 3cma h ARG 49 N -0.12 0.94 -1.00 0.20 3.08 -0.81 -1.84 114.38 114.84 3cma h ARG 49 Ca -0.25 -0.45 0.06 0.00 0.07 0.00 0.00 59.98 59.40 3cma h ARG 49 Cb 1.91 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.89 3cma h ARG 49 CO 0.17 1.11 0.65 0.28 -1.07 0.00 0.00 179.97 181.11 3cma h VAL 50 N 0.77 1.10 0.79 2.04 2.07 -1.60 0.48 116.25 121.91 3cma h VAL 50 Ca 0.08 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3cma h VAL 50 Cb 0.88 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3cma h VAL 50 CO 0.08 0.22 -0.38 0.00 0.02 0.00 0.00 177.57 177.51 3cma h ALA 51 N 1.45 -1.27 0.21 1.67 0.00 -1.15 -1.17 119.26 119.00 3cma h ALA 51 Ca 0.43 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3cma h ALA 51 Cb 0.14 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3cma h ALA 51 CO -0.16 -1.19 -0.24 0.93 0.00 0.00 0.00 179.25 178.59 3cma h GLU 52 N -1.07 -0.48 -0.51 0.00 5.08 -1.02 0.91 114.58 117.48 3cma h GLU 52 Ca -0.11 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3cma h GLU 52 Cb 0.81 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 3cma h GLU 52 CO 0.18 -0.32 0.08 0.82 -1.00 0.00 0.00 179.01 178.77 3cma h ILE 53 N -0.50 0.68 0.00 3.13 2.04 -0.11 0.37 117.51 123.12 3cma h ILE 53 Ca 0.00 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3cma h ILE 53 Cb 0.47 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3cma h ILE 53 CO -0.07 0.04 -0.26 -0.33 0.00 0.00 0.00 178.15 177.53 3cma h GLU 54 N 0.21 0.00 -0.18 2.37 5.08 -1.06 -1.76 114.58 119.24 3cma h GLU 54 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3cma h GLU 54 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3cma h GLU 54 CO -0.36 0.26 -0.31 1.03 -1.00 0.00 0.00 179.01 178.63 3cma h SER 55 N 0.00 0.58 1.22 1.42 0.87 0.28 -1.44 113.55 116.48 3cma h SER 55 Ca -0.00 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 59.96 3cma h SER 55 Cb 1.10 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3cma h SER 55 CO 0.03 1.01 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.98 3cma h GLU 56 N 0.17 0.00 -0.19 2.24 4.81 -0.36 -3.12 114.58 118.12 3cma h GLU 56 Ca 0.01 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 3cma h GLU 56 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3cma h GLU 56 CO 0.07 0.28 -0.69 1.98 -0.73 0.00 0.00 179.01 179.92 3cma h MET 57 N 0.00 0.77 0.00 1.92 4.05 -1.13 -3.24 114.93 117.29 3cma h MET 57 Ca -0.00 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 3cma h MET 57 Cb 0.97 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 3cma h MET 57 CO 0.04 1.19 -0.10 0.09 0.23 0.00 0.00 176.91 178.35 3cma n ASN 58 N -3.95 0.53 -4.30 1.39 3.02 -0.56 -4.79 115.26 106.60 3cma n ASN 58 Ca -0.06 0.45 -0.32 0.00 -0.03 0.00 0.00 54.58 54.62 3cma n ASN 58 Cb 0.70 -0.53 0.19 0.00 -0.61 0.00 0.00 39.78 39.52 3cma n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cma n GLU 59 N -1.96 -1.78 -3.01 3.52 1.02 -1.18 -4.91 120.64 112.33 3cma n GLU 59 Ca 0.06 -0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 56.29 3cma n GLU 59 Cb 0.40 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 3cma n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cma s ASP 60 N -1.91 6.78 -0.15 1.62 1.01 -1.26 -4.92 116.67 117.84 3cma s ASP 60 Ca 0.58 0.95 -0.04 0.00 0.71 0.00 0.00 52.55 54.75 3cma s ASP 60 Cb -0.13 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3cma s ASP 60 CO 0.66 -0.36 -0.02 -1.00 0.21 0.00 0.00 175.17 174.67 3cma s HIS 61 N 2.18 3.08 -0.35 4.23 3.76 -1.25 -4.92 115.29 122.02 3cma s HIS 61 Ca 0.32 -0.16 -0.28 0.00 -0.15 0.00 0.00 55.06 54.79 3cma s HIS 61 Cb -0.16 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3cma s HIS 61 CO 0.10 0.08 1.89 0.00 -0.85 0.00 0.00 174.74 175.96 3cma s ALA 62 N 0.16 2.73 0.13 -1.40 0.00 -1.26 -1.94 121.76 120.18 3cma s ALA 62 Ca -0.00 0.24 -0.35 0.00 0.00 0.00 0.00 51.96 51.85 3cma s ALA 62 Cb -0.13 -4.06 -0.15 0.00 0.00 0.00 0.00 23.12 18.77 3cma s ALA 62 CO 0.02 -2.85 1.50 0.00 0.00 0.00 0.00 175.76 174.42 3cma h PRO 64 N 5.47 0.84 0.63 0.00 0.11 -1.91 -3.20 132.00 133.93 3cma h PRO 64 Ca -0.46 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 3cma h PRO 64 Cb 1.28 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3cma h PRO 64 CO 0.85 0.68 -0.30 -0.97 -0.21 0.00 0.00 178.00 178.05 3cma h ASN 65 N 0.83 -0.71 0.00 -2.05 -1.24 -1.97 -3.46 115.58 106.98 3cma h ASN 65 Ca 0.20 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.24 3cma h ASN 65 Cb 0.14 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3cma h ASN 65 CO -0.02 -0.35 0.00 0.00 -1.29 0.00 0.00 177.43 175.77 3cma n GLY 67 N 5.00 0.60 3.73 0.00 0.00 -1.25 -4.59 105.19 108.68 3cma n GLY 67 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cma n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cma n GLU 68 N -0.53 2.39 -1.27 1.61 4.71 -1.26 -4.22 120.64 122.07 3cma n GLU 68 Ca 0.00 0.84 -0.34 0.00 -0.01 0.00 0.00 57.16 57.65 3cma n GLU 68 Cb 0.00 -2.51 -0.05 0.00 -1.01 0.00 0.00 31.44 27.86 3cma n GLU 68 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3cma n ASP 69 N 0.98 8.14 -0.53 1.62 8.00 -1.26 -0.72 116.55 132.78 3cma n ASP 69 Ca 0.05 -2.57 0.06 0.00 0.71 0.00 0.00 54.79 53.04 3cma n ASP 69 Cb 0.37 -1.53 0.19 0.00 -0.02 0.00 0.00 41.12 40.12 3cma n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cma n ARG 70 N 3.35 1.72 -3.14 -1.24 1.74 -1.09 -4.12 116.66 113.87 3cma n ARG 70 Ca 0.72 -2.93 -0.39 0.00 -0.77 0.00 0.00 57.85 54.49 3cma n ARG 70 Cb 0.35 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3cma n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cma s VAL 71 N -3.03 5.05 0.21 1.55 1.01 -0.82 -1.79 120.40 122.57 3cma s VAL 71 Ca 0.37 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.69 3cma s VAL 71 Cb 0.34 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3cma s VAL 71 CO 0.01 0.30 -0.07 -1.81 0.00 0.00 0.00 175.10 173.53 3cma s ASP 72 N 0.57 2.10 0.08 3.32 1.01 -0.50 -3.78 116.67 119.47 3cma s ASP 72 Ca 0.33 -1.11 -0.21 0.00 0.71 0.00 0.00 52.55 52.27 3cma s ASP 72 Cb -0.17 -0.05 -0.07 0.00 1.01 0.00 0.00 42.92 43.64 3cma s ASP 72 CO 0.16 -0.36 0.64 -0.60 0.21 0.00 0.00 175.17 175.22 3cma s ARG 73 N -3.76 4.33 0.00 8.23 3.52 -1.26 -1.41 118.95 128.60 3cma s ARG 73 Ca 0.24 0.87 0.08 0.00 -0.13 0.00 0.00 55.73 56.78 3cma s ARG 73 Cb 0.03 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3cma s ARG 73 CO 0.06 0.56 0.44 1.04 -0.81 0.00 0.00 175.30 176.59 3cma n GLN 74 N 1.91 3.31 -3.76 5.12 1.13 0.74 -4.92 117.38 120.90 3cma n GLN 74 Ca -0.08 -0.29 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 3cma n GLN 74 Cb 0.50 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.92 3cma n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cma n GLY 75 N 0.97 -2.15 3.68 1.08 0.00 -1.22 -5.04 105.19 102.51 3cma n GLY 75 Ca 0.02 -1.21 -0.50 0.00 0.00 0.00 0.00 46.02 44.33 3cma n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cma n THR 76 N 1.59 0.41 0.00 2.61 -1.04 -1.26 -4.80 114.28 111.79 3cma n THR 76 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3cma n THR 76 Cb 0.00 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 3cma n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cma n GLY 77 N 4.11 0.37 3.49 3.41 0.00 -1.22 -4.99 105.19 110.36 3cma n GLY 77 Ca 0.22 0.32 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 3cma n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cma n ILE 78 N 0.00 2.25 -4.28 -0.61 5.41 -1.26 -2.78 119.36 118.10 3cma n ILE 78 Ca 0.00 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.05 3cma n ILE 78 Cb 0.00 -0.73 -0.11 0.00 -0.71 0.00 0.00 39.64 38.08 3cma n ILE 78 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 3cma s TRP 79 N -1.60 1.59 -0.15 1.39 0.52 0.64 -0.18 118.94 121.16 3cma s TRP 79 Ca 0.67 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 56.13 3cma s TRP 79 Cb -0.49 -0.82 0.04 0.00 -1.15 0.00 0.00 33.47 31.05 3cma s TRP 79 CO 0.55 0.22 0.43 -1.14 0.02 0.00 0.00 176.95 177.03 3cma s GLN 80 N -2.60 0.54 -0.28 4.98 0.74 -0.50 0.89 119.66 123.43 3cma s GLN 80 Ca 0.11 0.53 -0.17 0.00 0.05 0.00 0.00 55.36 55.87 3cma s GLN 80 Cb -0.06 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 3cma s GLN 80 CO 0.04 -0.08 0.48 0.00 -0.55 0.00 0.00 175.29 175.18 3cma n SER 82 N 5.52 0.22 -0.03 0.00 3.41 -0.74 0.62 113.62 122.62 3cma n SER 82 Ca -0.05 0.57 -0.01 0.00 -0.26 0.00 0.00 58.87 59.12 3cma n SER 82 Cb 0.50 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3cma n SER 82 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3cma h TYR 83 N 0.00 0.00 -0.69 7.33 3.20 -1.93 -3.41 116.97 121.48 3cma h TYR 83 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cma h TYR 83 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3cma h TYR 83 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 3cma n ASP 85 N 1.61 -5.60 -4.62 0.00 8.00 0.20 -4.93 116.55 111.22 3cma n ASP 85 Ca 0.24 0.11 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 3cma n ASP 85 Cb 0.61 -3.50 -0.03 0.00 -0.02 0.00 0.00 41.12 38.18 3cma n ASP 85 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cma s TYR 86 N -1.49 1.96 -0.27 1.24 5.04 -1.24 -4.66 117.35 117.93 3cma s TYR 86 Ca 0.00 0.53 -0.12 0.00 -2.44 0.00 0.00 57.07 55.04 3cma s TYR 86 Cb 0.00 -4.05 -0.05 0.00 0.35 0.00 0.00 41.96 38.22 3cma s TYR 86 CO 0.00 -3.05 0.26 0.21 -1.34 0.00 0.00 175.55 171.63 3cma s LYS 87 N 5.02 4.00 0.19 4.97 2.20 -1.26 -1.36 119.74 133.50 3cma s LYS 87 Ca 0.75 -0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 56.17 3cma s LYS 87 Cb -0.25 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 3cma s LYS 87 CO 0.31 -0.17 0.16 -0.59 -0.36 0.00 0.00 175.35 174.71 3cma s PHE 88 N 1.74 0.98 0.12 4.03 -0.12 0.26 -4.97 117.98 120.02 3cma s PHE 88 Ca 0.10 -1.25 -0.11 0.00 -0.05 0.00 0.00 56.93 55.62 3cma s PHE 88 Cb -0.16 -0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 41.73 3cma s PHE 88 CO 0.10 -0.66 0.47 0.95 -0.05 0.00 0.00 175.22 176.02 3cma s THR 89 N -4.11 5.00 0.00 -4.49 -4.23 -1.26 -0.26 115.64 106.28 3cma s THR 89 Ca 0.33 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 3cma s THR 89 Cb 0.06 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3cma s THR 89 CO 0.09 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 3cma n GLY 90 N 0.69 3.99 3.55 3.99 0.00 -1.12 -4.92 105.19 111.38 3cma n GLY 90 Ca -0.06 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 3cma n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 91 N 0.00 -2.20 0.09 -0.02 0.00 0.12 -4.80 105.19 98.38 3cma n GLY 91 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 3cma n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cma h SER 92 N -2.24 0.06 0.00 1.61 0.02 -1.94 -3.31 113.55 107.75 3cma h SER 92 Ca -0.41 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3cma h SER 92 Cb 1.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3cma h SER 92 CO 0.28 0.92 -0.91 -1.22 -1.14 0.00 0.00 176.83 174.76 3cma n TYR 93 N -3.52 0.00 -4.16 3.45 4.02 -1.26 -3.40 117.16 112.29 3cma n TYR 93 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 3cma n TYR 93 Cb 0.84 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.08 3cma n TYR 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3cma s LYS 94 N -1.91 2.46 0.00 -0.72 1.02 -1.26 -4.27 119.74 115.06 3cma s LYS 94 Ca 0.00 -0.94 0.27 0.00 0.02 0.00 0.00 55.97 55.32 3cma s LYS 94 Cb 0.00 -2.46 1.37 0.00 -0.52 0.00 0.00 37.83 36.22 3cma s LYS 94 CO 0.00 0.51 1.91 -0.35 -0.92 0.00 0.00 175.35 176.50 3cma n PRO 95 N 0.37 0.43 -3.72 -1.68 -0.04 -1.26 0.11 135.00 129.20 3cma n PRO 95 Ca -0.11 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 3cma n PRO 95 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3cma n PRO 95 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cma s GLU 96 N -2.51 0.14 0.14 0.54 2.02 -1.26 -3.57 118.70 114.20 3cma s GLU 96 Ca 0.27 0.51 0.05 0.00 0.02 0.00 0.00 54.97 55.82 3cma s GLU 96 Cb 0.18 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 3cma s GLU 96 CO 0.39 -0.20 0.09 0.95 0.02 0.00 0.00 175.26 176.52 3cma s THR 97 N 1.50 4.33 0.31 3.63 -4.23 -1.26 -4.81 115.64 115.10 3cma s THR 97 Ca -0.07 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 3cma s THR 97 Cb -0.11 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.87 3cma s THR 97 CO -0.07 -0.03 1.73 -0.65 -0.54 0.00 0.00 174.62 175.06 3cma h PRO 98 N 2.77 0.57 -0.48 3.99 0.11 -2.01 0.29 132.00 137.23 3cma h PRO 98 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3cma h PRO 98 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3cma h PRO 98 CO 0.63 0.37 0.12 0.78 -0.21 0.00 0.00 178.00 179.69 3cma h GLY 99 N 0.58 0.82 1.14 -0.55 0.00 -2.01 -3.02 103.07 100.04 3cma h GLY 99 Ca 0.61 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3cma h GLY 99 CO -0.47 0.48 0.39 -1.33 0.00 0.00 0.00 176.54 175.61 3cma h GLY 100 N 0.65 1.19 2.00 4.60 0.00 -0.89 -2.14 103.07 108.48 3cma h GLY 100 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3cma h GLY 100 CO 0.00 0.54 0.00 0.28 0.00 0.00 0.00 176.54 177.36 3cma n LYS 101 N -4.33 0.12 -0.07 4.80 5.02 -0.35 -3.00 118.16 120.36 3cma n LYS 101 Ca 0.08 0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 56.61 3cma n LYS 101 Cb 0.13 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.26 3cma n LYS 101 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3cma h THR 102 N 0.00 1.79 -0.97 -0.18 2.02 -1.28 -3.33 112.91 110.96 3cma h THR 102 Ca 0.00 -2.35 0.32 0.00 0.77 0.00 0.00 66.41 65.15 3cma h THR 102 Cb 0.29 3.39 -0.16 0.00 -1.74 0.00 0.00 68.15 69.93 3cma h THR 102 CO 0.00 0.61 0.38 0.58 0.37 0.00 0.00 175.52 177.46 3cma h VAL 103 N -0.99 0.17 -0.75 3.16 2.07 -1.50 0.48 116.25 118.89 3cma h VAL 103 Ca -0.00 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3cma h VAL 103 Cb 1.01 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.64 3cma h VAL 103 CO 0.00 0.03 -0.20 0.03 0.02 0.00 0.00 177.57 177.45 3cma h ARG 104 N 0.15 -0.01 0.00 1.57 3.08 -1.67 -3.33 114.38 114.17 3cma h ARG 104 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.75 3cma h ARG 104 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3cma h ARG 104 CO -0.72 -0.01 0.00 0.54 -1.07 0.00 0.00 179.97 178.71 3cma n ARG 105 N -5.50 0.00 0.00 0.04 1.74 0.16 -5.19 116.66 107.91 3cma n ARG 105 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3cma n ARG 105 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3cma n ARG 105 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98