#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v76 n ARG 37 N 0.00 3.24 -3.71 1.61 1.74 -1.26 -2.18 116.66 116.09 1v76 n ARG 37 Ca 0.00 -3.40 -0.28 0.00 -0.77 0.00 0.00 57.85 53.39 1v76 n ARG 37 Cb 0.00 -3.34 -0.03 0.00 -1.02 0.00 0.00 32.46 28.06 1v76 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1v76 s VAL 38 N 3.31 5.21 0.14 1.55 -7.23 -1.26 -5.03 120.40 117.08 1v76 s VAL 38 Ca 0.50 -0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.34 1v76 s VAL 38 Cb 0.03 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1v76 s VAL 38 CO 0.05 -0.12 0.06 0.42 -0.31 0.00 0.00 175.10 175.20 1v76 s THR 39 N -1.81 0.10 0.54 5.32 -4.23 -1.26 -4.80 115.64 109.50 1v76 s THR 39 Ca 0.38 -1.91 0.21 0.00 -1.18 0.00 0.00 61.69 59.19 1v76 s THR 39 Cb -0.11 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 71.96 1v76 s THR 39 CO 0.28 -0.43 2.19 -0.09 -0.54 0.00 0.00 174.62 176.03 1v76 h ARG 40 N 2.85 0.00 0.03 3.99 9.65 -1.96 -0.21 114.38 128.73 1v76 h ARG 40 Ca -0.35 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.47 1v76 h ARG 40 Cb 1.20 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.79 1v76 h ARG 40 CO 0.59 0.00 -0.27 0.00 2.80 0.00 0.00 179.97 183.09 1v76 h ARG 41 N 0.00 0.12 0.00 0.20 3.08 -2.01 -3.37 114.38 112.40 1v76 h ARG 41 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1v76 h ARG 41 Cb 0.01 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1v76 h ARG 41 CO -0.00 1.03 -0.41 0.27 -1.07 0.00 0.00 179.97 179.79 1v76 n ASN 42 N -4.47 0.58 0.22 7.04 0.23 -1.09 -3.90 115.26 113.87 1v76 n ASN 42 Ca -0.11 0.16 0.18 0.00 -0.53 0.00 0.00 54.58 54.29 1v76 n ASN 42 Cb 0.57 -0.07 0.84 0.00 -2.08 0.00 0.00 39.78 39.04 1v76 n ASN 42 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1v76 h ILE 43 N 0.00 0.31 -0.51 1.53 6.09 -1.20 0.09 117.51 123.81 1v76 h ILE 43 Ca 0.00 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.51 1v76 h ILE 43 Cb 0.65 0.77 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 1v76 h ILE 43 CO 0.00 0.00 0.34 0.40 -3.07 0.00 0.00 178.15 175.82 1v76 h ILE 44 N 0.00 1.09 0.00 2.19 1.08 -1.81 -3.19 117.51 116.87 1v76 h ILE 44 Ca 0.09 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1v76 h ILE 44 Cb 0.62 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1v76 h ILE 44 CO -0.00 0.12 -1.05 -2.67 -0.69 0.00 0.00 178.15 173.86 1v76 n TRP 45 N -4.47 0.00 -2.05 1.37 4.27 -0.16 -4.78 117.44 111.62 1v76 n TRP 45 Ca 0.05 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.29 1v76 n TRP 45 Cb 0.10 -0.12 0.02 0.00 -1.36 0.00 0.00 31.31 29.95 1v76 n TRP 45 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1v76 s HIS 46 N -2.26 2.58 0.47 -2.67 2.46 -0.17 -3.66 115.29 112.04 1v76 s HIS 46 Ca -0.01 1.48 -0.22 0.00 0.47 0.00 0.00 55.06 56.78 1v76 s HIS 46 Cb 0.05 -3.54 -0.07 0.00 -0.13 0.00 0.00 32.58 28.89 1v76 s HIS 46 CO 0.30 -2.11 1.13 -1.21 -2.47 0.00 0.00 174.74 170.37 1v76 s GLU 47 N -2.91 3.73 -0.08 2.88 2.02 -1.26 -4.92 118.70 118.17 1v76 s GLU 47 Ca 0.69 1.66 0.14 0.00 0.02 0.00 0.00 54.97 57.48 1v76 s GLU 47 Cb -0.33 -2.30 -0.21 0.00 0.10 0.00 0.00 34.13 31.38 1v76 s GLU 47 CO 0.39 -0.55 0.21 1.28 0.02 0.00 0.00 175.26 176.61 1v76 n LEU 48 N -0.66 0.00 -4.67 1.80 4.77 -1.26 -4.76 117.00 112.22 1v76 n LEU 48 Ca 0.08 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.60 1v76 n LEU 48 Cb 0.49 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1v76 n LEU 48 CO 0.45 0.16 1.25 -0.38 -1.33 0.00 0.00 177.39 177.54 1v76 n ILE 49 N -2.27 0.10 0.00 -0.08 5.41 -1.26 -1.46 119.36 119.81 1v76 n ILE 49 Ca -0.12 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1v76 n ILE 49 Cb 0.66 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1v76 n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1v76 n GLY 50 N 3.60 0.40 3.88 7.39 0.00 0.24 -4.89 105.19 115.81 1v76 n GLY 50 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1v76 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v76 s LEU 51 N 0.00 4.15 0.26 0.99 1.43 -0.53 -4.81 118.68 120.17 1v76 s LEU 51 Ca 0.00 0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 1v76 s LEU 51 Cb 0.00 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 1v76 s LEU 51 CO 0.00 -0.09 0.80 -0.60 0.23 0.00 0.00 176.35 176.68 1v76 s ARG 52 N -2.93 4.35 0.02 1.70 3.52 -1.26 -1.27 118.95 123.08 1v76 s ARG 52 Ca 0.47 1.01 -0.03 0.00 -0.13 0.00 0.00 55.73 57.05 1v76 s ARG 52 Cb -0.11 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1v76 s ARG 52 CO 0.23 0.35 0.04 0.54 -0.81 0.00 0.00 175.30 175.65 1v76 s VAL 53 N -1.57 0.12 -0.03 7.11 0.11 0.14 -1.82 120.40 124.46 1v76 s VAL 53 Ca 0.46 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1v76 s VAL 53 Cb -0.17 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1v76 s VAL 53 CO 0.22 -0.54 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.81 1v76 s ARG 54 N -1.97 0.54 -0.52 1.54 3.52 -0.31 -1.57 118.95 120.18 1v76 s ARG 54 Ca -0.11 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 1v76 s ARG 54 Cb -0.05 -0.59 0.04 0.00 -1.56 0.00 0.00 34.95 32.78 1v76 s ARG 54 CO -0.02 -0.03 0.94 0.42 -0.81 0.00 0.00 175.30 175.80 1v76 s ILE 55 N 0.61 4.41 -1.34 4.11 1.01 -0.00 -0.93 121.20 129.07 1v76 s ILE 55 Ca -0.07 0.48 0.23 0.00 0.00 0.00 0.00 60.65 61.28 1v76 s ILE 55 Cb -0.10 -4.50 -0.07 0.00 0.01 0.00 0.00 42.46 37.79 1v76 s ILE 55 CO -0.00 -1.01 1.13 1.33 0.00 0.00 0.00 174.94 176.38 1v76 n VAL 56 N 6.30 0.00 -3.54 2.92 0.24 -0.61 -0.97 118.33 122.67 1v76 n VAL 56 Ca 0.04 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1v76 n VAL 56 Cb 0.48 0.84 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 1v76 n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1v76 s GLY 57 N -2.82 -0.46 -0.10 7.63 0.00 -1.17 -4.93 107.32 105.48 1v76 s GLY 57 Ca 0.13 0.53 -0.31 0.00 0.00 0.00 0.00 44.72 45.07 1v76 s GLY 57 CO 0.72 0.22 1.02 -0.45 0.00 0.00 0.00 173.10 174.61 1v76 s SER 58 N -2.23 -0.29 0.34 1.64 0.15 -1.26 -0.90 113.70 111.15 1v76 s SER 58 Ca -0.03 0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.96 1v76 s SER 58 Cb -0.00 0.29 0.95 0.00 -1.71 0.00 0.00 66.02 65.54 1v76 s SER 58 CO -0.05 -0.44 1.78 0.00 1.20 0.00 0.00 173.24 175.73 1v76 h THR 59 N 2.11 0.00 -3.68 6.45 1.03 -1.84 -3.38 112.91 113.59 1v76 h THR 59 Ca -0.17 -0.45 -0.68 0.00 -0.01 0.00 0.00 66.41 65.10 1v76 h THR 59 Cb 1.20 1.35 -0.36 0.00 -1.07 0.00 0.00 68.15 69.27 1v76 h THR 59 CO 0.28 0.00 -0.68 -1.00 -0.01 0.00 0.00 175.52 174.12 1v76 s HIS 60 N -3.33 3.48 0.60 0.00 3.76 -1.26 -5.00 115.29 113.54 1v76 s HIS 60 Ca 0.05 -2.38 0.29 0.00 -0.15 0.00 0.00 55.06 52.88 1v76 s HIS 60 Cb 0.09 -2.61 1.67 0.00 1.11 0.00 0.00 32.58 32.84 1v76 s HIS 60 CO 0.51 -0.90 2.08 -1.00 -0.85 0.00 0.00 174.74 174.58 1v76 h PRO 61 N 7.88 0.00 0.00 8.40 0.13 -2.00 -2.34 132.00 144.08 1v76 h PRO 61 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1v76 h PRO 61 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1v76 h PRO 61 CO 0.57 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.30 1v76 h ALA 62 N 1.73 1.26 -0.01 -0.56 0.00 -1.96 -2.74 119.26 116.97 1v76 h ALA 62 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v76 h ALA 62 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1v76 h ALA 62 CO -0.00 0.05 -0.46 1.19 0.00 0.00 0.00 179.25 180.03 1v76 n PHE 63 N -3.50 0.00 -2.13 0.00 0.99 -0.88 -4.93 117.46 107.01 1v76 n PHE 63 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.01 1v76 n PHE 63 Cb 0.15 -0.02 -0.03 0.00 -1.00 0.00 0.00 39.48 38.58 1v76 n PHE 63 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1v76 s VAL 64 N -2.50 3.05 0.00 -4.37 1.01 -1.04 -2.89 120.40 113.67 1v76 s VAL 64 Ca 0.19 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1v76 s VAL 64 Cb 0.18 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1v76 s VAL 64 CO 0.57 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1v76 n GLY 65 N 2.75 1.69 3.72 4.51 0.00 -0.14 -5.04 105.19 112.67 1v76 n GLY 65 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1v76 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v76 s ILE 66 N -2.15 2.47 0.07 -0.61 1.01 -1.14 -4.78 121.20 116.07 1v76 s ILE 66 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1v76 s ILE 66 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1v76 s ILE 66 CO 0.00 0.02 -0.06 -1.61 0.00 0.00 0.00 174.94 173.29 1v76 s GLU 67 N 1.30 0.67 0.00 2.79 2.02 -1.26 -0.82 118.70 123.40 1v76 s GLU 67 Ca 0.72 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1v76 s GLU 67 Cb -0.45 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 33.64 1v76 s GLU 67 CO 0.32 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1v76 n GLY 68 N 0.53 -0.97 3.88 -1.39 0.00 -0.61 -3.93 105.19 102.70 1v76 n GLY 68 Ca -0.16 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1v76 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v76 s TYR 69 N -2.64 3.60 -0.05 1.61 1.51 -1.06 0.24 117.35 120.56 1v76 s TYR 69 Ca 0.00 0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 56.33 1v76 s TYR 69 Cb 0.00 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1v76 s TYR 69 CO 0.00 0.67 1.37 0.08 -1.11 0.00 0.00 175.55 176.56 1v76 s VAL 70 N -1.17 3.89 -0.71 0.71 1.01 -0.39 -1.06 120.40 122.68 1v76 s VAL 70 Ca 0.22 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.52 1v76 s VAL 70 Cb -0.13 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1v76 s VAL 70 CO 0.11 -0.03 0.53 2.30 0.00 0.00 0.00 175.10 178.01 1v76 n ILE 71 N 4.87 0.00 -3.56 2.22 -5.35 0.09 -0.59 119.36 117.04 1v76 n ILE 71 Ca 0.13 -0.33 -0.07 0.00 -0.27 0.00 0.00 62.75 62.22 1v76 n ILE 71 Cb 0.44 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 1v76 n ILE 71 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1v76 s ASP 72 N -1.68 -0.30 -0.14 7.28 -1.08 -1.21 -4.95 116.67 114.60 1v76 s ASP 72 Ca 0.06 -0.08 -0.11 0.00 -0.52 0.00 0.00 52.55 51.90 1v76 s ASP 72 Cb 0.08 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1v76 s ASP 72 CO 0.34 -0.62 0.37 -0.70 0.52 0.00 0.00 175.17 175.07 1v76 s GLU 73 N -3.06 0.40 0.04 4.34 2.12 -1.26 -1.65 118.70 119.63 1v76 s GLU 73 Ca 0.07 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1v76 s GLU 73 Cb -0.01 0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.51 1v76 s GLU 73 CO -0.06 -0.08 0.00 0.25 -0.54 0.00 0.00 175.26 174.82 1v76 n THR 74 N 3.31 0.00 -0.17 -1.70 -2.24 -0.51 -4.73 114.28 108.23 1v76 n THR 74 Ca -0.16 -0.20 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1v76 n THR 74 Cb 0.57 0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1v76 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v76 h ARG 75 N 0.00 0.68 -0.00 -0.78 2.43 -1.94 -3.33 114.38 111.44 1v76 h ARG 75 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1v76 h ARG 75 Cb 0.10 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1v76 h ARG 75 CO 0.05 0.47 -0.18 0.09 -1.51 0.00 0.00 179.97 178.89 1v76 n ASN 76 N -4.71 0.70 -4.42 -3.80 3.02 -1.26 0.17 115.26 104.96 1v76 n ASN 76 Ca 0.02 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1v76 n ASN 76 Cb 0.04 0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.77 1v76 n ASN 76 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1v76 s MET 77 N -1.22 1.52 -0.06 3.52 -1.94 -1.25 -0.59 119.30 119.28 1v76 s MET 77 Ca 0.04 -1.76 0.02 0.00 -1.71 0.00 0.00 55.69 52.28 1v76 s MET 77 Cb 0.05 -1.18 0.01 0.00 2.01 0.00 0.00 34.83 35.73 1v76 s MET 77 CO 0.19 0.07 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.66 1v76 s LEU 78 N -3.43 1.58 -0.30 -0.03 1.43 -0.17 -1.43 118.68 116.34 1v76 s LEU 78 Ca 0.28 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1v76 s LEU 78 Cb 0.03 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1v76 s LEU 78 CO 0.11 0.02 0.17 -0.69 0.23 0.00 0.00 176.35 176.19 1v76 s VAL 79 N 0.69 4.87 -0.13 -1.59 1.01 -0.66 -1.04 120.40 123.55 1v76 s VAL 79 Ca -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1v76 s VAL 79 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1v76 s VAL 79 CO 0.03 0.12 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 1v76 s ILE 80 N 1.67 3.63 -0.49 2.22 1.01 0.64 -0.73 121.20 129.15 1v76 s ILE 80 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1v76 s ILE 80 Cb -0.17 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.86 1v76 s ILE 80 CO 0.08 0.52 0.39 0.00 0.00 0.00 0.00 174.94 175.93 1v76 s ALA 81 N 0.10 3.49 0.00 9.38 0.00 -0.23 -0.16 121.76 134.34 1v76 s ALA 81 Ca -0.02 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1v76 s ALA 81 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1v76 s ALA 81 CO 0.03 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1v76 n GLY 82 N 5.07 1.85 0.24 0.00 0.00 -1.25 -2.57 105.19 108.52 1v76 n GLY 82 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1v76 n GLY 82 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1v76 h ASP 83 N 0.00 0.45 -2.88 1.61 1.82 -1.95 -3.43 116.42 112.04 1v76 h ASP 83 Ca 0.00 -0.14 -0.51 0.00 -0.39 0.00 0.00 57.03 55.99 1v76 h ASP 83 Cb 0.00 -0.12 -0.14 0.00 0.68 0.00 0.00 39.33 39.75 1v76 h ASP 83 CO 0.00 0.68 -0.60 -0.13 -1.61 0.00 0.00 179.24 177.58 1v76 s ARG 84 N -4.55 1.74 -0.23 0.28 0.52 -1.26 -5.12 118.95 110.33 1v76 s ARG 84 Ca -0.07 -1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 53.01 1v76 s ARG 84 Cb 0.14 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.57 1v76 s ARG 84 CO 0.78 -0.19 0.34 0.42 0.02 0.00 0.00 175.30 176.67 1v76 s ILE 85 N -3.18 5.22 -0.01 1.52 -1.09 -1.26 -4.50 121.20 117.90 1v76 s ILE 85 Ca 0.34 0.57 0.06 0.00 -2.23 0.00 0.00 60.65 59.39 1v76 s ILE 85 Cb 0.08 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1v76 s ILE 85 CO 0.15 0.24 -0.17 0.26 -1.23 0.00 0.00 174.94 174.20 1v76 s TRP 86 N 1.47 2.59 -0.30 3.97 0.52 0.77 -4.97 118.94 122.99 1v76 s TRP 86 Ca 0.16 -0.24 -0.04 0.00 0.02 0.00 0.00 56.10 56.01 1v76 s TRP 86 Cb -0.15 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1v76 s TRP 86 CO 0.08 0.18 0.03 0.15 0.02 0.00 0.00 176.95 177.40 1v76 s LYS 87 N -0.99 2.63 -0.00 4.98 1.02 -1.26 -0.26 119.74 125.85 1v76 s LYS 87 Ca 0.13 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 55.05 1v76 s LYS 87 Cb -0.10 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1v76 s LYS 87 CO 0.02 -0.57 -0.26 0.14 -0.92 0.00 0.00 175.35 173.76 1v76 s VAL 88 N 1.33 2.12 0.19 3.17 -7.23 -0.21 -4.94 120.40 114.83 1v76 s VAL 88 Ca -0.02 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1v76 s VAL 88 Cb -0.19 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 1v76 s VAL 88 CO -0.00 0.52 1.18 -2.16 -0.31 0.00 0.00 175.10 174.33 1v76 s PRO 89 N -0.80 4.51 0.15 4.82 0.04 -1.26 -1.00 135.00 141.46 1v76 s PRO 89 Ca 0.11 1.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1v76 s PRO 89 Cb -0.10 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1v76 s PRO 89 CO -0.00 -0.05 1.46 0.87 0.04 0.00 0.00 177.00 179.32 1v76 h LYS 90 N 5.15 0.87 -0.22 4.56 1.57 -1.17 -3.34 116.57 124.00 1v76 h LYS 90 Ca -0.45 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 57.88 1v76 h LYS 90 Cb 1.21 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1v76 h LYS 90 CO 0.74 1.14 0.15 0.38 -0.57 0.00 0.00 179.45 181.29 1v76 h ASP 91 N 0.70 0.09 -0.26 0.86 2.03 -1.78 -2.83 116.42 115.22 1v76 h ASP 91 Ca 0.04 -0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.23 1v76 h ASP 91 Cb 1.04 -0.02 -0.06 0.00 -0.83 0.00 0.00 39.33 39.46 1v76 h ASP 91 CO 0.10 0.06 -0.11 1.33 -1.03 0.00 0.00 179.24 179.59 1v76 n VAL 92 N -4.49 2.40 -4.19 4.15 0.24 -1.25 -4.35 118.33 110.84 1v76 n VAL 92 Ca 0.02 -2.61 -0.16 0.00 -2.04 0.00 0.00 64.34 59.54 1v76 n VAL 92 Cb 0.22 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 1v76 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1v76 s SER 93 N -2.55 1.63 -0.18 -1.34 1.04 -1.09 -2.12 113.70 109.10 1v76 s SER 93 Ca 0.42 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 1v76 s SER 93 Cb 0.38 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1v76 s SER 93 CO 0.01 -0.20 -0.15 -0.63 0.98 0.00 0.00 173.24 173.25 1v76 s ILE 94 N -2.20 2.58 0.17 -1.02 -1.09 -0.08 0.20 121.20 119.76 1v76 s ILE 94 Ca 0.05 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1v76 s ILE 94 Cb -0.04 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 1v76 s ILE 94 CO 0.01 0.50 0.16 -0.36 -1.23 0.00 0.00 174.94 174.03 1v76 s PHE 95 N 1.15 3.18 -0.21 3.97 0.40 -0.61 -1.57 117.98 124.29 1v76 s PHE 95 Ca 0.01 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1v76 s PHE 95 Cb -0.14 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 41.93 1v76 s PHE 95 CO -0.06 0.52 -0.02 -2.00 0.70 0.00 0.00 175.22 174.36 1v76 s GLU 96 N -3.22 1.22 0.05 0.44 2.12 -0.10 -1.10 118.70 118.12 1v76 s GLU 96 Ca 0.32 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1v76 s GLU 96 Cb -0.10 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1v76 s GLU 96 CO 0.24 -0.60 0.17 -0.06 -0.54 0.00 0.00 175.26 174.47 1v76 s PHE 97 N 1.60 3.43 -0.22 5.30 0.40 0.13 -1.16 117.98 127.47 1v76 s PHE 97 Ca -0.03 0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.45 1v76 s PHE 97 Cb -0.18 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1v76 s PHE 97 CO -0.07 0.58 0.04 -2.00 0.70 0.00 0.00 175.22 174.47 1v76 s GLU 98 N -2.38 3.71 0.75 0.44 2.12 -0.75 0.12 118.70 122.71 1v76 s GLU 98 Ca 0.32 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 1v76 s GLU 98 Cb -0.13 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.09 1v76 s GLU 98 CO 0.25 -0.01 1.12 0.00 -0.54 0.00 0.00 175.26 176.07 1v76 s ALA 99 N 1.12 2.67 0.49 6.30 0.00 0.47 -4.28 121.76 128.52 1v76 s ALA 99 Ca 0.04 -0.39 0.19 0.00 0.00 0.00 0.00 51.96 51.80 1v76 s ALA 99 Cb -0.14 -3.03 1.22 0.00 0.00 0.00 0.00 23.12 21.17 1v76 s ALA 99 CO 0.03 -1.41 2.01 -0.44 0.00 0.00 0.00 175.76 175.94 1v76 h ASP 100 N -0.86 0.16 -0.26 0.00 3.32 -1.77 -0.89 116.42 116.13 1v76 h ASP 100 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1v76 h ASP 100 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1v76 h ASP 100 CO 0.63 0.09 0.00 -0.90 -1.72 0.00 0.00 179.24 177.35 1v76 n ASP 101 N -4.44 1.39 0.00 6.45 5.68 -1.26 -4.90 116.55 119.47 1v76 n ASP 101 Ca 0.08 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1v76 n ASP 101 Cb 0.44 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1v76 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v76 n GLY 102 N 0.92 3.34 3.65 6.12 0.00 -0.34 -5.03 105.19 113.84 1v76 n GLY 102 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1v76 n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v76 n THR 103 N -1.87 1.21 -3.78 2.61 -1.04 -1.26 -4.62 114.28 105.53 1v76 n THR 103 Ca 0.00 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 1v76 n THR 103 Cb 0.00 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.11 1v76 n THR 103 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1v76 s LYS 104 N -0.75 3.94 -0.19 -2.82 -0.14 -1.26 -0.40 119.74 118.12 1v76 s LYS 104 Ca 0.66 -0.19 0.01 0.00 -1.36 0.00 0.00 55.97 55.09 1v76 s LYS 104 Cb -0.68 -3.34 0.04 0.00 -1.68 0.00 0.00 37.83 32.17 1v76 s LYS 104 CO 0.53 0.46 -0.13 0.42 -0.76 0.00 0.00 175.35 175.87 1v76 s ILE 105 N -0.10 1.78 -0.19 2.17 1.01 0.12 -4.95 121.20 121.04 1v76 s ILE 105 Ca 0.10 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1v76 s ILE 105 Cb -0.11 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1v76 s ILE 105 CO -0.00 0.27 0.07 -0.54 0.00 0.00 0.00 174.94 174.74 1v76 s LYS 106 N 1.35 4.00 -0.18 2.79 1.02 -1.26 0.23 119.74 127.70 1v76 s LYS 106 Ca 0.00 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 55.49 1v76 s LYS 106 Cb -0.15 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1v76 s LYS 106 CO -0.09 0.27 0.49 -1.50 -0.92 0.00 0.00 175.35 173.60 1v76 s ILE 107 N 0.39 0.00 0.38 2.17 2.07 -0.25 -5.00 121.20 120.96 1v76 s ILE 107 Ca 0.04 -0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.99 1v76 s ILE 107 Cb -0.12 -0.69 -0.10 0.00 0.13 0.00 0.00 42.46 41.67 1v76 s ILE 107 CO -0.00 -0.01 1.40 -2.84 -1.91 0.00 0.00 174.94 171.58 1v76 s PRO 108 N 0.17 4.07 0.49 3.50 0.02 -1.26 -1.58 135.00 140.40 1v76 s PRO 108 Ca -0.01 2.38 0.20 0.00 0.02 0.00 0.00 61.00 63.60 1v76 s PRO 108 Cb -0.03 -2.90 1.25 0.00 0.02 0.00 0.00 34.50 32.83 1v76 s PRO 108 CO 0.01 -0.49 2.05 0.78 -0.33 0.00 0.00 177.00 179.02 1v76 h GLY 109 N 2.91 0.00 1.41 0.52 0.00 -0.30 -2.55 103.07 105.07 1v76 h GLY 109 Ca -0.50 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.90 1v76 h GLY 109 CO 0.64 0.00 0.22 -2.09 0.00 0.00 0.00 176.54 175.31 1v76 h GLU 110 N 0.00 0.00 0.00 4.80 4.81 -1.71 0.16 114.58 122.64 1v76 h GLU 110 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1v76 h GLU 110 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1v76 h GLU 110 CO 0.02 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.84 1v76 n ARG 111 N -4.09 0.09 -0.24 1.92 5.12 -0.96 -3.08 116.66 115.43 1v76 n ARG 111 Ca 0.03 0.18 0.07 0.00 -1.93 0.00 0.00 57.85 56.21 1v76 n ARG 111 Cb 0.37 -1.63 0.20 0.00 -1.16 0.00 0.00 32.46 30.24 1v76 n ARG 111 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1v76 n LEU 112 N -1.80 3.25 -4.74 0.55 4.77 0.56 -4.93 117.00 114.66 1v76 n LEU 112 Ca 0.05 -2.04 -0.41 0.00 -0.03 0.00 0.00 56.01 53.57 1v76 n LEU 112 Cb 0.30 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1v76 n LEU 112 CO 0.23 0.79 1.11 -0.69 -1.33 0.00 0.00 177.39 177.51 1v76 s VAL 113 N -1.08 2.67 0.00 4.08 1.01 -1.18 -4.86 120.40 121.05 1v76 s VAL 113 Ca 0.31 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1v76 s VAL 113 Cb 0.16 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1v76 s VAL 113 CO 0.20 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1v76 n GLY 114 N 2.31 3.88 3.72 4.51 0.00 0.13 -4.97 105.19 114.76 1v76 n GLY 114 Ca 0.07 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1v76 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v76 n ARG 115 N -1.27 1.77 -0.27 1.61 1.74 -1.26 -4.43 116.66 114.56 1v76 n ARG 115 Ca 0.00 0.64 0.06 0.00 -0.77 0.00 0.00 57.85 57.78 1v76 n ARG 115 Cb 0.00 -2.47 0.20 0.00 -1.02 0.00 0.00 32.46 29.17 1v76 n ARG 115 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1v76 h PRO 116 N 1.69 0.51 -0.20 5.56 0.11 -1.85 -0.08 132.00 137.75 1v76 h PRO 116 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1v76 h PRO 116 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1v76 h PRO 116 CO 0.58 0.34 -0.18 1.05 -0.21 0.00 0.00 178.00 179.58 1v76 h GLU 117 N 0.53 0.35 -0.21 1.05 4.11 -1.96 -2.51 114.58 115.94 1v76 h GLU 117 Ca 0.43 -0.10 -0.15 0.00 0.07 0.00 0.00 59.36 59.61 1v76 h GLU 117 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1v76 h GLU 117 CO -0.37 0.52 -0.45 0.52 0.07 0.00 0.00 179.01 179.30 1v76 h MET 118 N 0.32 0.67 -0.30 1.06 2.86 -1.43 -3.16 114.93 114.96 1v76 h MET 118 Ca 0.06 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1v76 h MET 118 Cb 0.51 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1v76 h MET 118 CO 0.03 1.07 0.16 0.00 1.06 0.00 0.00 176.91 179.22 1v76 h ARG 119 N 0.38 0.40 0.00 1.72 3.08 -0.89 -2.09 114.38 116.98 1v76 h ARG 119 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1v76 h ARG 119 Cb 1.05 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1v76 h ARG 119 CO 0.10 0.30 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.18 1v76 h LEU 120 N 0.41 0.00 -1.69 3.04 3.38 -1.41 -1.57 115.31 117.46 1v76 h LEU 120 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1v76 h LEU 120 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1v76 h LEU 120 CO -0.02 0.05 -0.15 0.11 0.09 0.00 0.00 178.44 178.52 1v76 h LYS 121 N 0.00 0.00 0.00 1.13 1.57 -1.46 -2.11 116.57 115.70 1v76 h LYS 121 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v76 h LYS 121 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1v76 h LYS 121 CO 0.01 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 1v76 n LYS 122 N -3.56 0.04 0.18 3.15 5.02 -0.59 -1.86 118.16 120.54 1v76 n LYS 122 Ca -0.01 0.33 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1v76 n LYS 122 Cb 0.29 -1.58 0.32 0.00 -0.02 0.00 0.00 35.03 34.03 1v76 n LYS 122 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1v76 h ARG 123 N 0.00 0.00 -6.22 1.97 2.43 -1.55 -3.42 114.38 107.60 1v76 h ARG 123 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1v76 h ARG 123 Cb 0.22 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1v76 h ARG 123 CO 0.00 0.41 0.64 -1.58 -1.51 0.00 0.00 179.97 177.93 1v76 s TRP 124 N -3.64 3.43 -0.16 2.20 0.52 -0.77 -5.03 118.94 115.49 1v76 s TRP 124 Ca -0.00 1.52 -0.07 0.00 0.02 0.00 0.00 56.10 57.57 1v76 s TRP 124 Cb 0.11 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 1v76 s TRP 124 CO 0.70 -0.41 0.07 0.15 0.02 0.00 0.00 176.95 177.48 1v76 s LYS 125 N 2.35 3.77 -0.30 4.98 1.02 -1.26 -5.06 119.74 125.24 1v76 s LYS 125 Ca 0.48 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 1v76 s LYS 125 Cb -0.18 -3.16 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1v76 s LYS 125 CO 0.15 0.41 -0.01 -1.59 -0.92 0.00 0.00 175.35 173.40 1v76 s LYS 126 N -0.02 2.35 0.00 1.68 -2.85 -1.26 -5.25 119.74 114.39 1v76 s LYS 126 Ca 0.06 -1.33 0.16 0.00 -1.00 0.00 0.00 55.97 53.87 1v76 s LYS 126 Cb -0.12 -3.15 0.13 0.00 -2.06 0.00 0.00 37.83 32.63 1v76 s LYS 126 CO 0.01 -0.64 1.02 0.91 0.10 0.00 0.00 175.35 176.74