#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ind s PHE 4 N 0.00 -0.38 0.05 -1.42 5.36 0.55 -4.80 117.98 117.34 2ind s PHE 4 Ca 0.00 0.89 -0.18 0.00 -0.96 0.00 0.00 56.93 56.69 2ind s PHE 4 Cb 0.00 0.01 -0.06 0.00 -0.34 0.00 0.00 43.02 42.63 2ind s PHE 4 CO 0.00 -0.30 0.51 -1.25 -1.46 0.00 0.00 175.22 172.72 2ind s PRO 5 N 1.86 4.10 0.06 10.12 0.04 -1.26 -0.63 135.00 149.28 2ind s PRO 5 Ca -0.04 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 2ind s PRO 5 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2ind s PRO 5 CO -0.09 0.66 -0.02 0.96 0.04 0.00 0.00 177.00 178.55 2ind s ILE 6 N -1.11 0.26 -0.24 0.56 -5.25 -0.98 -0.05 121.20 114.38 2ind s ILE 6 Ca 0.27 -1.83 -0.09 0.00 -0.99 0.00 0.00 60.65 58.01 2ind s ILE 6 Cb -0.18 -1.60 -0.04 0.00 2.95 0.00 0.00 42.46 43.59 2ind s ILE 6 CO 0.17 -0.93 0.13 -0.04 -1.79 0.00 0.00 174.94 172.48 2ind s MET 7 N -3.93 3.90 -0.35 0.37 -1.94 -0.54 -1.03 119.30 115.78 2ind s MET 7 Ca 0.09 -0.36 -0.17 0.00 -1.71 0.00 0.00 55.69 53.54 2ind s MET 7 Cb 0.08 -3.45 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 2ind s MET 7 CO -0.08 -0.04 0.47 0.45 -0.01 0.00 0.00 175.02 175.81 2ind s SER 8 N 1.30 6.28 -0.92 3.03 0.15 0.25 -0.83 113.70 122.96 2ind s SER 8 Ca 0.06 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 2ind s SER 8 Cb -0.15 -2.25 0.25 0.00 -1.71 0.00 0.00 66.02 62.17 2ind s SER 8 CO 0.05 -0.44 0.99 -3.20 1.20 0.00 0.00 173.24 171.85 2ind n ASN 9 N 5.64 4.82 -4.77 5.45 5.15 -0.67 -1.14 115.26 129.75 2ind n ASN 9 Ca -0.06 -3.25 -0.41 0.00 -0.60 0.00 0.00 54.58 50.26 2ind n ASN 9 Cb 0.49 -1.07 -0.02 0.00 -0.53 0.00 0.00 39.78 38.65 2ind n ASN 9 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2ind s PHE 10 N -1.92 2.90 0.33 1.20 5.36 -1.26 -2.91 117.98 121.69 2ind s PHE 10 Ca 0.31 1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 57.23 2ind s PHE 10 Cb -0.00 -3.82 -0.11 0.00 -0.34 0.00 0.00 43.02 38.75 2ind s PHE 10 CO -0.04 -2.40 1.47 -2.00 -1.46 0.00 0.00 175.22 170.78 2ind s GLU 11 N -1.53 4.18 0.00 10.12 2.12 -0.32 -2.31 118.70 130.97 2ind s GLU 11 Ca 0.53 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.33 2ind s GLU 11 Cb -0.42 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2ind s GLU 11 CO 0.53 -0.47 0.00 0.54 -0.54 0.00 0.00 175.26 175.32 2ind n ARG 12 N 1.16 0.00 -2.25 4.30 1.74 -1.26 -5.01 116.66 115.34 2ind n ARG 12 Ca 0.03 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.84 2ind n ARG 12 Cb 0.39 -2.50 0.15 0.00 -1.02 0.00 0.00 32.46 29.49 2ind n ARG 12 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2ind s ASP 13 N -3.18 3.72 -0.01 0.55 -1.08 -0.98 -4.90 116.67 110.80 2ind s ASP 13 Ca 0.00 -0.04 0.09 0.00 -0.52 0.00 0.00 52.55 52.08 2ind s ASP 13 Cb 0.00 -0.16 -0.13 0.00 -1.46 0.00 0.00 42.92 41.17 2ind s ASP 13 CO 0.00 -2.31 0.27 2.22 0.52 0.00 0.00 175.17 175.87 2ind n PHE 14 N -3.31 0.00 -4.12 -5.34 1.16 -1.26 -4.98 117.46 99.61 2ind n PHE 14 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.58 2ind n PHE 14 Cb 0.60 -0.14 -0.12 0.00 -1.61 0.00 0.00 39.48 38.22 2ind n PHE 14 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2ind s VAL 15 N -2.35 0.70 0.06 1.97 0.11 -1.26 -5.13 120.40 114.49 2ind s VAL 15 Ca -0.01 -1.05 -0.18 0.00 -2.93 0.00 0.00 61.98 57.81 2ind s VAL 15 Cb 0.06 -0.72 -0.07 0.00 -1.53 0.00 0.00 36.38 34.13 2ind s VAL 15 CO 0.38 -0.27 0.54 -0.63 -3.33 0.00 0.00 175.10 171.78 2ind s ILE 16 N -1.21 4.79 0.10 7.04 1.01 -1.26 -4.58 121.20 127.09 2ind s ILE 16 Ca -0.06 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 2ind s ILE 16 Cb -0.09 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2ind s ILE 16 CO 0.01 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.51 2ind s GLN 17 N -1.11 0.79 0.00 2.79 -2.07 -0.30 -4.89 119.66 114.88 2ind s GLN 17 Ca 0.28 -1.34 -0.30 0.00 -1.82 0.00 0.00 55.36 52.18 2ind s GLN 17 Cb -0.19 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 2ind s GLN 17 CO 0.18 -0.16 1.19 -1.17 -1.32 0.00 0.00 175.29 174.01 2ind s LEU 18 N -3.00 4.33 -0.16 2.60 2.96 -1.26 0.86 118.68 125.00 2ind s LEU 18 Ca 0.15 1.91 -0.04 0.00 -0.22 0.00 0.00 54.13 55.94 2ind s LEU 18 Cb 0.07 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.25 2ind s LEU 18 CO -0.04 -0.52 0.06 -0.69 -1.32 0.00 0.00 176.35 173.84 2ind s VAL 19 N 1.62 0.21 0.12 1.68 1.01 -0.20 -4.89 120.40 119.94 2ind s VAL 19 Ca 0.57 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2ind s VAL 19 Cb -0.27 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 2ind s VAL 19 CO 0.26 -0.18 1.12 -2.84 0.00 0.00 0.00 175.10 173.46 2ind s PRO 20 N 2.01 4.54 0.40 2.72 0.02 -1.26 -2.33 135.00 141.10 2ind s PRO 20 Ca 0.01 1.70 0.05 0.00 0.02 0.00 0.00 61.00 62.78 2ind s PRO 20 Cb -0.16 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 2ind s PRO 20 CO -0.08 -0.05 0.18 0.14 -0.33 0.00 0.00 177.00 176.86 2ind s VAL 21 N 0.34 0.39 0.09 3.83 -7.23 0.19 -4.96 120.40 113.05 2ind s VAL 21 Ca 0.53 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 2ind s VAL 21 Cb -0.28 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2ind s VAL 21 CO 0.32 0.00 0.01 -0.62 -0.31 0.00 0.00 175.10 174.50 2ind s ASP 22 N -3.57 5.10 0.07 4.85 2.15 -1.26 -0.33 116.67 123.68 2ind s ASP 22 Ca 0.27 -0.16 0.14 0.00 0.43 0.00 0.00 52.55 53.23 2ind s ASP 22 Cb 0.02 -1.24 0.61 0.00 -0.30 0.00 0.00 42.92 42.01 2ind s ASP 22 CO 0.18 0.17 1.44 0.35 -0.17 0.00 0.00 175.17 177.14 2ind n THR 23 N 0.54 1.16 -0.06 1.71 -2.24 -1.26 -2.43 114.28 111.69 2ind n THR 23 Ca -0.10 0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 2ind n THR 23 Cb 0.52 -1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 67.43 2ind n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ind n GLU 24 N -1.70 0.66 -0.89 -0.78 -0.58 -1.26 -1.12 120.64 114.97 2ind n GLU 24 Ca 0.02 0.16 -0.34 0.00 -0.42 0.00 0.00 57.16 56.57 2ind n GLU 24 Cb 0.14 -1.66 0.09 0.00 -0.57 0.00 0.00 31.44 29.43 2ind n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ind n ASP 25 N -2.92 -3.85 -4.85 1.62 8.00 -1.02 -4.52 116.55 109.02 2ind n ASP 25 Ca -0.25 0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 2ind n ASP 25 Cb 1.10 -0.99 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 2ind n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ind s THR 26 N -2.21 3.81 0.42 -3.53 -4.23 -1.26 -1.18 115.64 107.45 2ind s THR 26 Ca 0.49 -1.37 0.18 0.00 -1.18 0.00 0.00 61.69 59.81 2ind s THR 26 Cb -0.19 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 70.78 2ind s THR 26 CO 0.74 -0.23 1.84 0.24 -0.54 0.00 0.00 174.62 176.68 2ind h MET 27 N 1.31 0.39 -0.21 3.99 2.86 -0.64 0.14 114.93 122.77 2ind h MET 27 Ca -0.46 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 2ind h MET 27 Cb 1.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 2ind h MET 27 CO 0.59 0.26 0.11 -0.44 1.06 0.00 0.00 176.91 178.48 2ind h ASP 28 N 0.40 0.27 0.46 1.22 3.32 -1.64 -0.16 116.42 120.28 2ind h ASP 28 Ca 0.49 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.31 2ind h ASP 28 Cb 1.24 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2ind h ASP 28 CO -0.19 0.30 -0.55 1.56 -1.72 0.00 0.00 179.24 178.64 2ind h GLN 29 N 0.22 0.10 0.04 3.56 4.20 -1.22 -1.87 115.11 120.13 2ind h GLN 29 Ca 0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ind h GLN 29 Cb 0.10 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2ind h GLN 29 CO -0.01 0.62 -0.02 0.28 -0.67 0.00 0.00 178.83 179.03 2ind h VAL 30 N 0.08 1.15 -0.09 -0.54 2.07 -0.62 -1.86 116.25 116.43 2ind h VAL 30 Ca -0.00 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2ind h VAL 30 Cb 0.99 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2ind h VAL 30 CO 0.08 0.15 0.09 0.00 0.02 0.00 0.00 177.57 177.91 2ind h ALA 31 N 0.62 1.79 0.04 1.67 0.00 -0.87 -0.43 119.26 122.07 2ind h ALA 31 Ca -0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2ind h ALA 31 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ind h ALA 31 CO 0.01 -0.13 -1.01 1.49 0.00 0.00 0.00 179.25 179.60 2ind h GLU 32 N 0.00 0.27 0.00 0.00 4.81 -0.96 -1.63 114.58 117.07 2ind h GLU 32 Ca 0.04 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 2ind h GLU 32 Cb 0.22 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2ind h GLU 32 CO -0.00 1.08 -0.50 0.87 -0.73 0.00 0.00 179.01 179.73 2ind h LYS 33 N 0.13 0.00 0.10 1.92 1.57 -0.30 -2.96 116.57 117.03 2ind h LYS 33 Ca -0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2ind h LYS 33 Cb 1.68 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.01 2ind h LYS 33 CO 0.16 0.50 -0.84 0.00 -0.57 0.00 0.00 179.45 178.71 2ind h ALA 35 N 0.19 1.84 -0.99 0.00 0.00 -1.29 -1.50 119.26 117.51 2ind h ALA 35 Ca -0.13 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.95 2ind h ALA 35 Cb 1.60 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2ind h ALA 35 CO 0.16 0.00 0.61 -0.92 0.00 0.00 0.00 179.25 179.10 2ind h TYR 36 N 0.63 0.98 -0.15 0.00 3.20 -1.58 0.32 116.97 120.37 2ind h TYR 36 Ca 0.34 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.24 2ind h TYR 36 Cb 0.49 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2ind h TYR 36 CO -0.00 0.25 0.00 0.72 -1.64 0.00 0.00 178.16 177.48 2ind n HIS 37 N -4.70 0.19 0.04 -3.82 8.25 -0.57 -4.58 115.22 110.04 2ind n HIS 37 Ca 0.22 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2ind n HIS 37 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2ind n HIS 37 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2ind n SER 38 N 0.32 0.16 -4.71 0.41 7.64 -0.01 -4.88 113.62 112.54 2ind n SER 38 Ca 0.16 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 2ind n SER 38 Cb 0.33 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2ind n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ind s ILE 39 N -2.00 2.33 0.00 0.44 -1.09 0.92 -1.35 121.20 120.45 2ind s ILE 39 Ca 0.00 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2ind s ILE 39 Cb 0.00 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 2ind s ILE 39 CO 0.00 0.01 0.00 0.59 -1.23 0.00 0.00 174.94 174.31 2ind n ASN 40 N 4.23 -1.30 -0.09 3.58 3.02 -0.12 -4.75 115.26 119.82 2ind n ASN 40 Ca 0.15 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.51 2ind n ASN 40 Cb 0.37 -1.04 -0.07 0.00 -0.61 0.00 0.00 39.78 38.43 2ind n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ind n ARG 41 N -1.90 0.41 -0.60 3.52 1.74 -0.51 -4.88 116.66 114.45 2ind n ARG 41 Ca 0.00 0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 57.24 2ind n ARG 41 Cb 0.05 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 2ind n ARG 41 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2ind n ARG 42 N -3.71 0.00 -3.70 5.56 1.85 -0.46 -5.09 116.66 111.12 2ind n ARG 42 Ca -0.37 -0.33 -0.13 0.00 -1.00 0.00 0.00 57.85 56.02 2ind n ARG 42 Cb 0.78 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 32.06 2ind n ARG 42 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2ind s VAL 43 N 0.00 -0.18 0.27 8.89 1.01 -1.06 -4.76 120.40 124.56 2ind s VAL 43 Ca 0.01 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2ind s VAL 43 Cb 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.93 2ind s VAL 43 CO -0.00 0.09 1.28 -1.00 0.00 0.00 0.00 175.10 175.47 2ind s HIS 44 N 1.73 3.22 1.07 5.22 3.76 -1.26 -0.95 115.29 128.07 2ind s HIS 44 Ca -0.05 1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 56.11 2ind s HIS 44 Cb -0.11 -3.59 0.23 0.00 1.11 0.00 0.00 32.58 30.21 2ind s HIS 44 CO -0.08 -1.69 1.06 -2.14 -0.85 0.00 0.00 174.74 171.05 2ind s PRO 45 N -1.01 -0.13 -0.44 8.40 0.02 -1.26 -4.90 135.00 135.67 2ind s PRO 45 Ca 0.52 0.92 0.06 0.00 0.02 0.00 0.00 61.00 62.52 2ind s PRO 45 Cb -0.37 -1.64 0.22 0.00 0.02 0.00 0.00 34.50 32.73 2ind s PRO 45 CO 0.45 -3.22 0.61 1.04 -0.33 0.00 0.00 177.00 175.55 2ind n GLN 46 N -4.57 0.58 0.14 5.54 6.02 -1.26 -4.99 117.38 118.84 2ind n GLN 46 Ca 0.05 -2.65 0.19 0.00 -0.01 0.00 0.00 57.00 54.58 2ind n GLN 46 Cb 0.54 -1.42 0.78 0.00 1.02 0.00 0.00 30.24 31.16 2ind n GLN 46 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2ind h PRO 47 N 4.52 0.00 -0.67 -1.09 0.11 -2.03 -0.59 132.00 132.25 2ind h PRO 47 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2ind h PRO 47 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2ind h PRO 47 CO 0.34 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.22 2ind n GLU 48 N -3.80 1.30 -4.08 1.05 2.13 -1.26 -4.87 120.64 111.11 2ind n GLU 48 Ca 0.05 -0.28 -0.10 0.00 0.66 0.00 0.00 57.16 57.48 2ind n GLU 48 Cb 0.49 -1.40 -0.07 0.00 0.27 0.00 0.00 31.44 30.72 2ind n GLU 48 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ind s LYS 49 N -1.41 1.41 -0.00 5.31 1.02 -0.23 -4.98 119.74 120.86 2ind s LYS 49 Ca 0.05 -1.41 0.06 0.00 0.02 0.00 0.00 55.97 54.69 2ind s LYS 49 Cb 0.03 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.70 2ind s LYS 49 CO 0.02 -0.54 -0.17 0.42 -0.92 0.00 0.00 175.35 174.16 2ind s ILE 50 N -4.07 2.87 -0.18 2.17 1.09 -0.01 -4.88 121.20 118.19 2ind s ILE 50 Ca 0.29 -0.97 -0.18 0.00 -1.10 0.00 0.00 60.65 58.69 2ind s ILE 50 Cb 0.02 -2.15 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 2ind s ILE 50 CO 0.10 0.47 0.51 -0.76 -0.10 0.00 0.00 174.94 175.16 2ind s LEU 51 N -1.07 4.18 0.19 2.97 1.43 -1.26 0.16 118.68 125.28 2ind s LEU 51 Ca 0.13 0.72 0.09 0.00 -1.03 0.00 0.00 54.13 54.04 2ind s LEU 51 Cb -0.11 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2ind s LEU 51 CO 0.03 -0.14 -0.10 -0.13 0.23 0.00 0.00 176.35 176.24 2ind s ARG 52 N 1.39 2.04 -0.20 1.70 1.81 0.79 -4.85 118.95 121.64 2ind s ARG 52 Ca 0.25 -1.31 -0.01 0.00 -1.72 0.00 0.00 55.73 52.94 2ind s ARG 52 Cb -0.15 -2.13 0.01 0.00 -0.45 0.00 0.00 34.95 32.22 2ind s ARG 52 CO 0.10 0.42 -0.13 0.08 -0.68 0.00 0.00 175.30 175.09 2ind s VAL 53 N -1.78 2.64 -0.00 3.52 1.01 -1.26 -1.15 120.40 123.37 2ind s VAL 53 Ca 0.25 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2ind s VAL 53 Cb -0.08 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2ind s VAL 53 CO 0.15 0.49 -0.11 0.00 0.00 0.00 0.00 175.10 175.63 2ind s ARG 54 N 1.35 0.87 0.14 2.72 1.70 -0.78 -1.55 118.95 123.39 2ind s ARG 54 Ca 0.05 -0.44 -0.31 0.00 -0.47 0.00 0.00 55.73 54.56 2ind s ARG 54 Cb -0.14 -0.84 -0.10 0.00 -0.57 0.00 0.00 34.95 33.30 2ind s ARG 54 CO -0.08 0.23 1.74 0.50 -1.08 0.00 0.00 175.30 176.60 2ind s ARG 55 N -0.38 4.15 0.19 3.89 3.52 0.06 -0.50 118.95 129.88 2ind s ARG 55 Ca 0.03 2.53 -0.09 0.00 -0.13 0.00 0.00 55.73 58.07 2ind s ARG 55 Cb -0.05 -3.39 0.10 0.00 -1.56 0.00 0.00 34.95 30.05 2ind s ARG 55 CO -0.00 -0.77 1.70 1.25 -0.81 0.00 0.00 175.30 176.67 2ind h HIS 56 N 7.82 1.15 0.47 5.12 -0.00 -1.46 -1.52 115.15 126.71 2ind h HIS 56 Ca -0.44 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 59.76 2ind h HIS 56 Cb 1.21 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2ind h HIS 56 CO 0.73 0.95 -0.22 1.49 -0.00 0.00 0.00 177.93 180.87 2ind h GLU 57 N 1.02 -0.60 0.00 5.26 4.81 -1.91 -3.33 114.58 119.83 2ind h GLU 57 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2ind h GLU 57 Cb 0.38 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2ind h GLU 57 CO 0.00 -0.40 -0.58 -0.40 -0.73 0.00 0.00 179.01 176.90 2ind n ASP 58 N -3.70 0.55 0.00 1.04 5.68 -1.26 -4.97 116.55 113.89 2ind n ASP 58 Ca -0.08 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 2ind n ASP 58 Cb 0.25 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2ind n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ind n GLY 59 N 1.46 1.31 3.50 6.12 0.00 -0.57 -5.02 105.19 111.98 2ind n GLY 59 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.56 2ind n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ind n THR 60 N -2.00 1.13 -4.05 2.61 -1.04 -1.24 -4.60 114.28 105.08 2ind n THR 60 Ca 0.00 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.05 61.38 2ind n THR 60 Cb 0.00 -0.37 -0.11 0.00 -1.82 0.00 0.00 70.33 68.03 2ind n THR 60 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2ind s LEU 61 N 1.26 3.56 0.14 -4.42 2.96 -1.26 -0.76 118.68 120.15 2ind s LEU 61 Ca 0.73 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.54 2ind s LEU 61 Cb -0.97 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 43.76 2ind s LEU 61 CO 0.55 0.12 0.37 -0.36 -1.32 0.00 0.00 176.35 175.71 2ind s PHE 62 N 0.69 3.48 0.20 5.38 0.08 -0.60 -5.00 117.98 122.21 2ind s PHE 62 Ca 0.02 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 2ind s PHE 62 Cb -0.14 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.22 2ind s PHE 62 CO 0.02 0.44 1.41 -2.14 -0.10 0.00 0.00 175.22 174.85 2ind s PRO 63 N -2.63 4.30 0.33 0.24 0.02 -1.26 -4.59 135.00 131.42 2ind s PRO 63 Ca 0.41 2.20 0.13 0.00 0.02 0.00 0.00 61.00 63.75 2ind s PRO 63 Cb -0.12 -3.16 1.01 0.00 0.02 0.00 0.00 34.50 32.25 2ind s PRO 63 CO 0.24 -0.40 1.69 0.00 -0.33 0.00 0.00 177.00 178.20 2ind h ARG 64 N 5.67 0.41 -0.08 5.54 3.08 -1.95 0.25 114.38 127.30 2ind h ARG 64 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2ind h ARG 64 Cb 1.21 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2ind h ARG 64 CO 0.81 0.27 0.00 0.41 -1.07 0.00 0.00 179.97 180.39 2ind n GLY 65 N -1.30 0.28 3.75 0.04 0.00 -1.26 -1.77 105.19 104.93 2ind n GLY 65 Ca 0.30 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2ind n GLY 65 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ind s MET 66 N -1.92 4.68 0.12 1.61 0.00 0.08 -4.76 119.30 119.11 2ind s MET 66 Ca 0.35 1.72 -0.10 0.00 0.00 0.00 0.00 55.69 57.67 2ind s MET 66 Cb 0.20 -3.22 -0.06 0.00 0.00 0.00 0.00 34.83 31.74 2ind s MET 66 CO 0.31 0.26 0.45 0.96 0.00 0.00 0.00 175.02 176.99 2ind s ILE 67 N -1.01 5.04 0.32 10.11 -4.36 -1.26 -0.86 121.20 129.18 2ind s ILE 67 Ca 0.44 0.46 0.06 0.00 -0.26 0.00 0.00 60.65 61.35 2ind s ILE 67 Cb -0.30 -3.65 0.40 0.00 1.25 0.00 0.00 42.46 40.16 2ind s ILE 67 CO 0.38 0.19 1.55 0.52 0.24 0.00 0.00 174.94 177.82 2ind n VAL 68 N 0.61 -0.42 0.28 8.37 0.31 -0.33 0.14 118.33 127.30 2ind n VAL 68 Ca -0.05 2.15 0.14 0.00 -0.01 0.00 0.00 64.34 66.56 2ind n VAL 68 Cb 0.52 -3.20 0.82 0.00 -0.91 0.00 0.00 33.84 31.08 2ind n VAL 68 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2ind h SER 69 N 0.00 0.00 0.52 4.52 0.87 -1.41 -2.89 113.55 115.16 2ind h SER 69 Ca 0.65 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.92 2ind h SER 69 Cb 1.43 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 2ind h SER 69 CO -0.90 0.05 -1.61 0.44 -0.53 0.00 0.00 176.83 174.28 2ind h ASP 70 N 0.00 0.11 0.02 6.23 3.32 -0.59 -3.31 116.42 122.20 2ind h ASP 70 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2ind h ASP 70 Cb 0.14 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2ind h ASP 70 CO 0.01 1.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.70 2ind n ALA 71 N -2.59 1.95 -0.45 3.45 0.00 -1.09 -4.89 120.51 116.89 2ind n ALA 71 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2ind n ALA 71 Cb 1.03 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2ind n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ind n GLY 72 N -0.20 1.32 1.74 0.00 0.00 -1.24 -4.93 105.19 101.86 2ind n GLY 72 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2ind n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ind n LEU 73 N 0.00 -2.33 -4.82 0.99 4.77 -1.26 -4.84 117.00 109.50 2ind n LEU 73 Ca 0.00 3.33 -0.38 0.00 -0.03 0.00 0.00 56.01 58.94 2ind n LEU 73 Cb 0.00 -3.37 -0.06 0.00 -2.33 0.00 0.00 43.42 37.66 2ind n LEU 73 CO 0.00 0.40 0.03 -0.13 -1.33 0.00 0.00 177.39 176.36 2ind s ARG 74 N -3.70 3.89 0.27 3.23 0.52 -1.26 -5.01 118.95 116.88 2ind s ARG 74 Ca 0.00 0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 2ind s ARG 74 Cb 0.00 -3.25 -0.13 0.00 0.52 0.00 0.00 34.95 32.08 2ind s ARG 74 CO 0.00 0.62 1.28 -0.35 0.02 0.00 0.00 175.30 176.87 2ind n PRO 75 N 2.20 1.85 -1.00 3.54 -0.04 -1.26 -0.03 135.00 140.26 2ind n PRO 75 Ca -0.15 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2ind n PRO 75 Cb 0.53 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2ind n PRO 75 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ind n THR 76 N 1.13 0.00 -1.62 0.52 -2.24 0.93 -4.99 114.28 108.01 2ind n THR 76 Ca 0.10 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.42 2ind n THR 76 Cb 0.32 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 2ind n THR 76 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ind n GLU 77 N -2.24 1.54 -3.05 -0.78 4.07 0.95 -3.90 120.64 117.24 2ind n GLU 77 Ca 0.00 0.54 -0.40 0.00 -0.06 0.00 0.00 57.16 57.25 2ind n GLU 77 Cb 0.00 -2.06 -0.05 0.00 -0.06 0.00 0.00 31.44 29.28 2ind n GLU 77 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2ind s THR 78 N -0.47 4.94 -0.04 6.31 2.01 -1.26 -1.47 115.64 125.66 2ind s THR 78 Ca 0.66 1.48 0.05 0.00 0.31 0.00 0.00 61.69 64.19 2ind s THR 78 Cb -0.73 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 67.72 2ind s THR 78 CO 0.54 0.31 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.85 2ind s LEU 79 N 0.41 1.94 -0.14 4.42 1.43 -0.01 -1.16 118.68 125.58 2ind s LEU 79 Ca 0.37 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 2ind s LEU 79 Cb -0.19 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2ind s LEU 79 CO 0.20 0.17 0.51 -1.81 0.23 0.00 0.00 176.35 175.64 2ind s ASP 80 N -0.07 6.67 -0.34 2.29 1.01 0.35 -1.66 116.67 124.91 2ind s ASP 80 Ca -0.01 0.81 -0.10 0.00 0.71 0.00 0.00 52.55 53.95 2ind s ASP 80 Cb -0.10 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2ind s ASP 80 CO 0.01 -0.07 0.18 -0.63 0.21 0.00 0.00 175.17 174.87 2ind s ILE 81 N 0.96 4.56 0.18 0.77 1.09 -1.14 -1.87 121.20 125.74 2ind s ILE 81 Ca 0.26 -0.65 0.11 0.00 -1.10 0.00 0.00 60.65 59.27 2ind s ILE 81 Cb -0.15 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 2ind s ILE 81 CO 0.11 -0.08 -0.24 0.27 -0.10 0.00 0.00 174.94 174.89 2ind s ILE 82 N 1.58 2.36 -0.29 2.92 -4.36 -0.30 -1.17 121.20 121.93 2ind s ILE 82 Ca 0.03 -1.98 -0.25 0.00 -0.26 0.00 0.00 60.65 58.20 2ind s ILE 82 Cb -0.18 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.42 2ind s ILE 82 CO 0.06 -0.08 0.86 -0.36 0.24 0.00 0.00 174.94 175.66 2ind s PHE 83 N -1.56 3.23 0.00 1.37 0.08 -1.26 -0.15 117.98 119.68 2ind s PHE 83 Ca 0.20 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.23 2ind s PHE 83 Cb -0.08 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2ind s PHE 83 CO 0.09 -0.56 0.00 -1.33 -0.10 0.00 0.00 175.22 173.32 2ind n MET 84 N 6.28 0.49 0.00 0.44 2.81 0.41 -4.90 117.12 122.65 2ind n MET 84 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2ind n MET 84 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 2ind n MET 84 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23