#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e n SER 35 N 0.00 4.29 0.01 4.04 7.64 -1.26 -4.52 113.62 123.81 3g6e n SER 35 Ca 0.00 -3.73 0.14 0.00 1.01 0.00 0.00 58.87 56.28 3g6e n SER 35 Cb 0.00 -0.74 0.59 0.00 -1.01 0.00 0.00 64.21 63.05 3g6e n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6e n GLY 36 N -1.04 -1.49 0.19 0.23 0.00 -1.26 -2.82 105.19 99.00 3g6e n GLY 36 Ca 0.50 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.55 3g6e n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g6e h ARG 37 N 0.00 0.00 -0.00 1.61 0.11 -2.04 -3.12 114.38 110.94 3g6e h ARG 37 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3g6e h ARG 37 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 3g6e h ARG 37 CO 0.00 0.00 -0.29 1.19 0.10 0.00 0.00 179.97 180.97 3g6e n PHE 38 N -2.82 0.00 -4.11 4.08 0.99 -1.13 -5.04 117.46 109.43 3g6e n PHE 38 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3g6e n PHE 38 Cb 0.46 -0.24 0.00 0.00 -1.00 0.00 0.00 39.48 38.69 3g6e n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g6e n GLY 39 N 1.42 3.00 0.70 1.37 0.00 -1.18 -2.75 105.19 107.74 3g6e n GLY 39 Ca 0.09 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e n ALA 40 N 9.46 2.46 -1.97 4.61 0.00 -1.26 -4.94 120.51 128.87 3g6e n ALA 40 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 53.44 52.56 3g6e n ALA 40 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.51 3g6e n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3g6e s ARG 41 N -1.56 2.28 0.00 0.00 0.52 -1.11 -4.72 118.95 114.35 3g6e s ARG 41 Ca 0.29 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 3g6e s ARG 41 Cb 0.15 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.22 3g6e s ARG 41 CO 0.21 -0.97 0.00 0.66 0.02 0.00 0.00 175.30 175.22 3g6e n TYR 42 N -2.54 0.00 0.00 -0.53 4.02 -1.26 -4.93 117.16 111.92 3g6e n TYR 42 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3g6e n TYR 42 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3g6e n TYR 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g6e n GLY 43 N 0.00 1.06 0.00 2.72 0.00 -1.26 -4.58 105.19 103.13 3g6e n GLY 43 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3g6e n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e n ARG 44 N 1.42 0.00 -0.31 1.61 1.74 -1.26 -2.91 116.66 116.95 3g6e n ARG 44 Ca 0.00 0.53 0.11 0.00 -0.77 0.00 0.00 57.85 57.71 3g6e n ARG 44 Cb 0.00 -1.48 0.28 0.00 -1.02 0.00 0.00 32.46 30.24 3g6e n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g6e h VAL 45 N 0.00 0.63 -0.58 1.55 2.07 -1.97 0.21 116.25 118.15 3g6e h VAL 45 Ca 0.00 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3g6e h VAL 45 Cb 0.00 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 3g6e h VAL 45 CO 0.00 0.10 -0.05 0.28 0.02 0.00 0.00 177.57 177.93 3g6e h SER 46 N 0.57 1.05 -0.08 0.57 0.02 -1.81 -2.30 113.55 111.58 3g6e h SER 46 Ca 0.53 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3g6e h SER 46 Cb 0.87 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3g6e h SER 46 CO -0.43 1.12 0.00 -2.11 -1.14 0.00 0.00 176.83 174.28 3g6e n ARG 47 N -4.16 2.33 -0.06 3.45 1.85 -0.87 -3.54 116.66 115.67 3g6e n ARG 47 Ca 0.02 -1.95 -0.19 0.00 -1.00 0.00 0.00 57.85 54.74 3g6e n ARG 47 Cb 0.38 -1.47 -0.13 0.00 -1.05 0.00 0.00 32.46 30.18 3g6e n ARG 47 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3g6e n ARG 48 N 1.33 0.70 0.25 2.89 0.63 0.67 -3.43 116.66 119.71 3g6e n ARG 48 Ca 0.15 0.20 0.14 0.00 -0.92 0.00 0.00 57.85 57.42 3g6e n ARG 48 Cb 0.59 -1.63 0.42 0.00 0.45 0.00 0.00 32.46 32.29 3g6e n ARG 48 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g6e h ARG 49 N 0.03 0.00 0.03 -0.14 3.08 -1.57 -1.85 114.38 113.96 3g6e h ARG 49 Ca -0.48 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.31 3g6e h ARG 49 Cb 1.99 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.01 3g6e h ARG 49 CO 0.01 0.02 -1.36 0.28 -1.07 0.00 0.00 179.97 177.85 3g6e h VAL 50 N 0.00 1.29 -0.22 2.04 2.07 -1.73 -2.99 116.25 116.71 3g6e h VAL 50 Ca -0.00 -3.04 -0.18 0.00 0.82 0.00 0.00 66.70 64.30 3g6e h VAL 50 Cb 0.77 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3g6e h VAL 50 CO 0.00 0.77 -0.56 0.00 0.02 0.00 0.00 177.57 177.80 3g6e h ALA 51 N 0.89 0.37 -0.31 1.67 0.00 -1.53 -1.62 119.26 118.72 3g6e h ALA 51 Ca -0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 3g6e h ALA 51 Cb 1.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 3g6e h ALA 51 CO 0.12 0.59 -0.32 0.93 0.00 0.00 0.00 179.25 180.57 3g6e h GLU 52 N 0.51 0.77 -0.05 0.00 5.08 -1.46 -1.96 114.58 117.47 3g6e h GLU 52 Ca -0.01 -0.41 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 3g6e h GLU 52 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3g6e h GLU 52 CO 0.12 1.04 -0.64 0.82 -1.00 0.00 0.00 179.01 179.35 3g6e h ILE 53 N 0.53 1.41 0.00 3.13 2.04 -1.57 -2.80 117.51 120.25 3g6e h ILE 53 Ca 0.05 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3g6e h ILE 53 Cb 0.90 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3g6e h ILE 53 CO 0.08 0.61 -0.53 -0.62 0.00 0.00 0.00 178.15 177.69 3g6e n GLU 54 N -3.84 0.27 0.07 2.37 1.02 -0.61 -3.10 120.64 116.83 3g6e n GLU 54 Ca -0.02 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 3g6e n GLU 54 Cb 0.64 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 3g6e n GLU 54 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3g6e h SER 55 N 0.00 0.28 -0.41 1.62 0.87 -1.31 -2.64 113.55 111.95 3g6e h SER 55 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3g6e h SER 55 Cb 0.73 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3g6e h SER 55 CO 0.00 1.27 0.00 1.21 -0.53 0.00 0.00 176.83 178.78 3g6e n GLU 56 N -3.43 2.08 -0.04 2.24 2.13 -1.06 -3.26 120.64 119.30 3g6e n GLU 56 Ca -0.09 -1.53 -0.07 0.00 0.66 0.00 0.00 57.16 56.12 3g6e n GLU 56 Cb 1.01 -1.38 -0.04 0.00 0.27 0.00 0.00 31.44 31.30 3g6e n GLU 56 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3g6e n MET 57 N 0.69 0.20 -0.02 5.31 1.56 -1.18 -4.57 117.12 119.11 3g6e n MET 57 Ca 0.14 0.06 0.12 0.00 -0.27 0.00 0.00 57.70 57.75 3g6e n MET 57 Cb 0.39 -1.04 0.59 0.00 2.15 0.00 0.00 33.22 35.30 3g6e n MET 57 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3g6e n ASN 58 N -2.97 0.69 -4.80 6.12 3.02 -1.00 -4.71 115.26 111.61 3g6e n ASN 58 Ca -0.16 -1.42 -0.31 0.00 -0.03 0.00 0.00 54.58 52.66 3g6e n ASN 58 Cb 0.65 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.85 3g6e n ASN 58 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3g6e s GLU 59 N -1.94 2.71 -0.38 3.52 2.12 -1.20 -5.00 118.70 118.53 3g6e s GLU 59 Ca 0.35 1.00 -0.28 0.00 0.36 0.00 0.00 54.97 56.40 3g6e s GLU 59 Cb 0.17 -1.96 0.02 0.00 0.26 0.00 0.00 34.13 32.62 3g6e s GLU 59 CO 0.28 -1.27 1.05 -0.51 -0.54 0.00 0.00 175.26 174.27 3g6e s ASP 60 N -3.69 6.77 -0.04 -1.70 1.01 -1.26 -4.90 116.67 112.87 3g6e s ASP 60 Ca 0.59 0.75 0.01 0.00 0.71 0.00 0.00 52.55 54.61 3g6e s ASP 60 Cb -0.15 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 3g6e s ASP 60 CO 0.55 -0.98 -0.04 -1.00 0.21 0.00 0.00 175.17 173.91 3g6e s HIS 61 N 3.83 3.00 0.12 4.23 3.76 -1.26 -4.96 115.29 124.01 3g6e s HIS 61 Ca 0.44 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.10 3g6e s HIS 61 Cb -0.11 -1.69 -0.07 0.00 1.11 0.00 0.00 32.58 31.82 3g6e s HIS 61 CO 0.21 0.40 1.15 0.00 -0.85 0.00 0.00 174.74 175.65 3g6e s ALA 62 N -0.93 3.38 0.08 -1.40 0.00 -1.26 -2.96 121.76 118.67 3g6e s ALA 62 Ca 0.15 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.69 3g6e s ALA 62 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3g6e s ALA 62 CO 0.05 -0.34 0.83 0.00 0.00 0.00 0.00 175.76 176.30 3g6e h PRO 64 N 5.46 0.00 0.00 0.00 0.11 -1.96 -3.30 132.00 132.31 3g6e h PRO 64 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g6e h PRO 64 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g6e h PRO 64 CO 0.71 0.00 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.35 3g6e h ASN 65 N 0.00 0.00 0.00 -2.05 4.21 -1.99 -3.48 115.58 112.27 3g6e h ASN 65 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3g6e h ASN 65 Cb 0.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3g6e h ASN 65 CO 0.00 0.44 0.00 0.00 -1.29 0.00 0.00 177.43 176.58 3g6e n GLY 67 N 5.00 0.97 3.78 0.00 0.00 -1.25 -4.79 105.19 108.90 3g6e n GLY 67 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3g6e n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 68 N 0.00 4.13 -1.40 1.61 8.01 -1.26 -4.55 118.70 125.24 3g6e s GLU 68 Ca 0.00 1.50 -0.08 0.00 0.01 0.00 0.00 54.97 56.40 3g6e s GLU 68 Cb 0.00 -2.50 0.07 0.00 -4.31 0.00 0.00 34.13 27.39 3g6e s GLU 68 CO 0.00 -0.17 2.40 -0.25 0.01 0.00 0.00 175.26 177.26 3g6e n ASP 69 N -0.15 7.22 -0.42 -0.19 8.00 -1.26 -2.01 116.55 127.73 3g6e n ASP 69 Ca 0.05 -2.97 0.06 0.00 0.71 0.00 0.00 54.79 52.64 3g6e n ASP 69 Cb 0.50 -1.46 0.11 0.00 -0.02 0.00 0.00 41.12 40.25 3g6e n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g6e n ARG 70 N 3.01 0.95 -3.13 -1.24 1.74 -1.16 -4.48 116.66 112.35 3g6e n ARG 70 Ca 0.61 -2.35 -0.40 0.00 -0.77 0.00 0.00 57.85 54.93 3g6e n ARG 70 Cb 0.28 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 3g6e n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3g6e s VAL 71 N -2.06 5.02 0.30 1.55 1.01 -1.16 -2.40 120.40 122.66 3g6e s VAL 71 Ca 0.27 1.13 0.11 0.00 0.00 0.00 0.00 61.98 63.49 3g6e s VAL 71 Cb 0.25 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3g6e s VAL 71 CO -0.02 0.08 -0.14 -1.81 0.00 0.00 0.00 175.10 173.22 3g6e s ASP 72 N 1.32 3.76 0.10 3.32 1.01 -0.19 -4.21 116.67 121.79 3g6e s ASP 72 Ca 0.27 -1.04 -0.22 0.00 0.71 0.00 0.00 52.55 52.27 3g6e s ASP 72 Cb -0.16 -0.38 -0.07 0.00 1.01 0.00 0.00 42.92 43.32 3g6e s ASP 72 CO 0.09 -0.05 0.68 -0.60 0.21 0.00 0.00 175.17 175.50 3g6e s ARG 73 N -3.57 4.39 -0.12 8.23 3.52 -1.26 -1.19 118.95 128.94 3g6e s ARG 73 Ca 0.31 0.94 0.13 0.00 -0.13 0.00 0.00 55.73 56.99 3g6e s ARG 73 Cb -0.03 -3.27 -0.19 0.00 -1.56 0.00 0.00 34.95 29.90 3g6e s ARG 73 CO 0.16 0.54 0.09 1.04 -0.81 0.00 0.00 175.30 176.33 3g6e n GLN 74 N 1.90 1.49 0.00 5.12 1.13 0.17 -4.92 117.38 122.27 3g6e n GLN 74 Ca -0.07 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 3g6e n GLN 74 Cb 0.50 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.48 3g6e n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g6e n GLY 75 N 2.05 1.17 3.56 1.08 0.00 -1.18 -4.99 105.19 106.88 3g6e n GLY 75 Ca -0.20 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3g6e n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s THR 76 N -1.95 3.60 0.00 2.61 2.01 -1.26 -3.10 115.64 117.54 3g6e s THR 76 Ca 0.00 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3g6e s THR 76 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.24 3g6e s THR 76 CO 0.00 -1.13 0.00 0.61 -0.69 0.00 0.00 174.62 173.41 3g6e n GLY 77 N 5.45 2.12 3.67 4.40 0.00 -1.24 -4.97 105.19 114.62 3g6e n GLY 77 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3g6e n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g6e s ILE 78 N -2.42 5.19 0.13 -0.61 1.01 -1.18 -1.69 121.20 121.63 3g6e s ILE 78 Ca 0.00 0.74 0.09 0.00 0.00 0.00 0.00 60.65 61.49 3g6e s ILE 78 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3g6e s ILE 78 CO 0.00 0.25 -0.23 0.26 0.00 0.00 0.00 174.94 175.22 3g6e s TRP 79 N 1.31 2.01 -0.13 3.97 0.52 0.32 -0.65 118.94 126.29 3g6e s TRP 79 Ca 0.20 -0.41 -0.16 0.00 0.02 0.00 0.00 56.10 55.75 3g6e s TRP 79 Cb -0.15 -1.07 0.04 0.00 -1.15 0.00 0.00 33.47 31.15 3g6e s TRP 79 CO 0.08 0.30 0.43 -1.14 0.02 0.00 0.00 176.95 176.64 3g6e s GLN 80 N -2.17 0.57 -0.19 4.98 0.74 -0.34 0.12 119.66 123.37 3g6e s GLN 80 Ca 0.12 0.45 -0.13 0.00 0.05 0.00 0.00 55.36 55.85 3g6e s GLN 80 Cb -0.09 0.27 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 3g6e s GLN 80 CO 0.06 -0.10 0.27 0.00 -0.55 0.00 0.00 175.29 174.97 3g6e n SER 82 N 3.94 0.00 0.00 0.00 3.41 -1.01 -2.31 113.62 117.66 3g6e n SER 82 Ca -0.12 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3g6e n SER 82 Cb 0.52 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3g6e n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6e n TYR 83 N -1.25 0.00 -0.32 7.33 9.36 -1.26 -4.68 117.16 126.33 3g6e n TYR 83 Ca 0.11 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.44 3g6e n TYR 83 Cb 0.16 -0.27 0.32 0.00 -0.63 0.00 0.00 39.34 38.92 3g6e n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3g6e n ASP 85 N 1.40 -5.53 -4.57 0.00 8.00 -0.98 -4.96 116.55 109.91 3g6e n ASP 85 Ca 0.24 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.39 3g6e n ASP 85 Cb 0.68 -4.60 -0.03 0.00 -0.02 0.00 0.00 41.12 37.15 3g6e n ASP 85 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3g6e s TYR 86 N -2.92 2.66 -0.29 1.24 5.04 -1.24 -4.87 117.35 116.97 3g6e s TYR 86 Ca 0.00 0.39 -0.14 0.00 -2.44 0.00 0.00 57.07 54.88 3g6e s TYR 86 Cb 0.00 -4.43 -0.04 0.00 0.35 0.00 0.00 41.96 37.84 3g6e s TYR 86 CO 0.00 -1.51 0.33 0.21 -1.34 0.00 0.00 175.55 173.24 3g6e s LYS 87 N 4.74 3.92 0.27 4.97 2.20 -1.26 -2.08 119.74 132.49 3g6e s LYS 87 Ca 0.42 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3g6e s LYS 87 Cb -0.08 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3g6e s LYS 87 CO 0.25 -0.30 0.14 -0.59 -0.36 0.00 0.00 175.35 174.49 3g6e s PHE 88 N 1.99 1.49 -0.14 4.03 -0.12 0.12 -4.99 117.98 120.35 3g6e s PHE 88 Ca 0.12 -1.33 -0.09 0.00 -0.05 0.00 0.00 56.93 55.59 3g6e s PHE 88 Cb -0.16 -0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 41.39 3g6e s PHE 88 CO 0.11 -0.51 0.16 0.95 -0.05 0.00 0.00 175.22 175.87 3g6e s THR 89 N -3.77 5.44 0.00 -4.49 -4.23 -1.26 -0.52 115.64 106.81 3g6e s THR 89 Ca 0.37 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3g6e s THR 89 Cb 0.06 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3g6e s THR 89 CO 0.16 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 3g6e n GLY 90 N 2.53 4.52 3.80 3.99 0.00 -0.68 -4.96 105.19 114.39 3g6e n GLY 90 Ca -0.18 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3g6e n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6e s GLY 91 N 0.00 1.73 0.13 -0.02 0.00 0.53 -4.75 107.32 104.93 3g6e s GLY 91 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 43.39 3g6e s GLY 91 CO 0.00 -0.34 1.49 1.76 0.00 0.00 0.00 173.10 176.01 3g6e h SER 92 N -2.09 0.85 0.00 1.64 0.02 -1.93 -3.33 113.55 108.71 3g6e h SER 92 Ca -0.44 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 3g6e h SER 92 Cb 1.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3g6e h SER 92 CO 0.32 1.07 -0.69 -1.22 -1.14 0.00 0.00 176.83 175.17 3g6e n TYR 93 N -4.24 0.00 -4.61 3.45 4.02 -1.26 -3.68 117.16 110.85 3g6e n TYR 93 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 3g6e n TYR 93 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.64 3g6e n TYR 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3g6e s LYS 94 N -1.66 2.36 0.25 -0.72 1.02 -1.26 -4.25 119.74 115.49 3g6e s LYS 94 Ca 0.00 -0.82 0.26 0.00 0.02 0.00 0.00 55.97 55.43 3g6e s LYS 94 Cb 0.00 -2.36 0.80 0.00 -0.52 0.00 0.00 37.83 35.75 3g6e s LYS 94 CO 0.00 0.58 1.76 -1.00 -0.92 0.00 0.00 175.35 175.77 3g6e h PRO 95 N 4.66 0.00 -3.42 -1.68 0.13 -1.89 0.15 132.00 129.95 3g6e h PRO 95 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 3g6e h PRO 95 Cb 1.16 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.92 3g6e h PRO 95 CO 0.51 0.00 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.33 3g6e s GLU 96 N -3.16 -0.00 0.17 0.86 2.02 -1.26 -3.84 118.70 113.49 3g6e s GLU 96 Ca 0.09 0.29 0.01 0.00 0.02 0.00 0.00 54.97 55.38 3g6e s GLU 96 Cb 0.11 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 3g6e s GLU 96 CO 0.57 -0.27 0.33 0.95 0.02 0.00 0.00 175.26 176.86 3g6e s THR 97 N 1.76 5.28 0.61 3.63 -4.23 -1.26 -4.88 115.64 116.55 3g6e s THR 97 Ca -0.00 -0.56 0.32 0.00 -1.18 0.00 0.00 61.69 60.27 3g6e s THR 97 Cb -0.12 -3.74 0.37 0.00 1.34 0.00 0.00 72.50 70.34 3g6e s THR 97 CO -0.03 -0.13 2.15 -0.65 -0.54 0.00 0.00 174.62 175.42 3g6e h PRO 98 N 2.08 0.00 0.00 3.99 0.11 -2.01 -0.17 132.00 136.00 3g6e h PRO 98 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3g6e h PRO 98 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3g6e h PRO 98 CO 0.68 0.00 -0.88 0.78 -0.21 0.00 0.00 178.00 178.38 3g6e h GLY 99 N 0.00 0.00 2.00 -0.55 0.00 -2.01 -3.30 103.07 99.21 3g6e h GLY 99 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3g6e h GLY 99 CO -0.00 0.00 -0.30 -1.33 0.00 0.00 0.00 176.54 174.91 3g6e h GLY 100 N 3.84 0.00 1.63 4.60 0.00 -1.42 -3.12 103.07 108.60 3g6e h GLY 100 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3g6e h GLY 100 CO 0.02 0.00 -0.31 0.50 0.00 0.00 0.00 176.54 176.75 3g6e h LYS 101 N 0.00 0.00 0.00 4.80 1.57 -1.58 -3.25 116.57 118.11 3g6e h LYS 101 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3g6e h LYS 101 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3g6e h LYS 101 CO 0.04 0.00 -0.10 1.15 -0.57 0.00 0.00 179.45 179.97 3g6e h THR 102 N 0.00 0.17 -0.07 -0.16 2.02 -1.62 -3.23 112.91 110.01 3g6e h THR 102 Ca 0.00 -1.23 -0.15 0.00 0.77 0.00 0.00 66.41 65.80 3g6e h THR 102 Cb 0.84 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3g6e h THR 102 CO 0.00 0.10 -0.62 0.58 0.37 0.00 0.00 175.52 175.95 3g6e h VAL 103 N 0.00 1.39 -0.03 3.16 2.07 -1.65 -3.07 116.25 118.12 3g6e h VAL 103 Ca -0.00 -2.01 -0.09 0.00 0.82 0.00 0.00 66.70 65.42 3g6e h VAL 103 Cb 1.07 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3g6e h VAL 103 CO 0.01 0.59 -0.38 0.03 0.02 0.00 0.00 177.57 177.84 3g6e h ARG 104 N 0.19 0.06 0.40 1.57 3.08 -1.72 -3.27 114.38 114.69 3g6e h ARG 104 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3g6e h ARG 104 Cb 1.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3g6e h ARG 104 CO 0.10 0.44 -0.19 0.00 -1.07 0.00 0.00 179.97 179.25 3g6e h ARG 105 N 0.06 -0.52 -0.02 0.04 3.08 -1.64 -3.53 114.38 111.85 3g6e h ARG 105 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3g6e h ARG 105 Cb 0.71 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3g6e h ARG 105 CO 0.05 -0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 177.52