#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 -0.28 -0.05 6.12 7.64 -1.26 -5.00 113.62 120.79 1bnp n SER 2 Ca 0.00 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 1bnp n SER 2 Cb 0.00 0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1bnp n SER 2 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1bnp h LYS 3 N 0.00 0.00 0.00 1.43 3.64 -2.14 -3.49 116.57 116.01 1bnp h LYS 3 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bnp h LYS 3 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bnp h LYS 3 CO 0.00 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.05 1bnp n ARG 4 N -4.50 0.00 -2.81 1.90 0.63 -1.26 -5.11 116.66 105.50 1bnp n ARG 4 Ca -0.01 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.87 1bnp n ARG 4 Cb 0.04 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.96 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bnp n LYS 5 N -2.79 -2.82 -3.20 -0.14 4.01 -1.26 -4.91 118.16 107.05 1bnp n LYS 5 Ca 0.00 2.38 -0.30 0.00 -0.51 0.00 0.00 58.31 59.88 1bnp n LYS 5 Cb 0.00 -5.46 -0.03 0.00 -0.51 0.00 0.00 35.03 29.02 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bnp s ALA 6 N -2.18 3.52 -0.50 7.82 0.00 -1.26 -4.97 121.76 124.19 1bnp s ALA 6 Ca 0.15 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 1bnp s ALA 6 Cb -0.04 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 1bnp s ALA 6 CO 0.77 0.20 2.35 -1.25 0.00 0.00 0.00 175.76 177.83 1bnp s PRO 7 N -3.54 2.16 -0.24 0.00 0.04 -1.26 -4.88 135.00 127.29 1bnp s PRO 7 Ca 0.47 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1bnp s PRO 7 Cb -0.11 -4.56 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 1bnp s PRO 7 CO 0.29 -3.22 2.13 1.14 0.04 0.00 0.00 177.00 177.38 1bnp s GLN 8 N 8.12 3.19 0.33 4.56 -2.07 -1.26 -4.57 119.66 127.96 1bnp s GLN 8 Ca 0.94 1.92 0.00 0.00 -1.82 0.00 0.00 55.36 56.40 1bnp s GLN 8 Cb -0.17 -4.33 0.00 0.00 -1.09 0.00 0.00 33.01 27.42 1bnp s GLN 8 CO 0.25 -2.04 0.00 0.39 -1.32 0.00 0.00 175.29 172.58 1bnp n GLU 9 N 8.67 0.00 -2.20 9.60 1.02 -1.26 -5.01 120.64 131.45 1bnp n GLU 9 Ca 0.28 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1bnp n GLU 9 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.86 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bnp n THR 10 N -3.34 -0.31 -1.80 2.62 -2.24 -1.26 -4.92 114.28 103.03 1bnp n THR 10 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1bnp n THR 10 Cb 0.00 -1.09 0.19 0.00 -2.10 0.00 0.00 70.33 67.33 1bnp n THR 10 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1bnp s LEU 11 N -4.91 2.41 0.07 3.22 0.05 -1.26 -5.04 118.68 113.22 1bnp s LEU 11 Ca 0.00 0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.50 1bnp s LEU 11 Cb 0.00 -2.31 0.00 0.00 -2.05 0.00 0.00 46.19 41.83 1bnp s LEU 11 CO 0.00 -2.95 0.00 -3.20 -0.55 0.00 0.00 176.35 169.65 1bnp n ASN 12 N -3.92 -0.34 0.00 1.48 2.85 -1.26 -5.17 115.26 108.90 1bnp n ASN 12 Ca 0.15 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1bnp n ASN 12 Cb 0.59 0.49 0.00 0.00 1.24 0.00 0.00 39.78 42.10 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bnp n GLY 13 N 0.42 -1.09 0.00 8.20 0.00 -1.26 -5.02 105.19 106.44 1bnp n GLY 13 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1bnp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnp n GLY 14 N -1.02 1.85 0.05 -0.02 0.00 -1.26 -4.90 105.19 99.90 1bnp n GLY 14 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N -0.83 1.08 0.30 -0.61 5.41 -1.26 -4.00 119.36 119.44 1bnp n ILE 15 Ca 0.00 0.29 0.06 0.00 1.00 0.00 0.00 62.75 64.10 1bnp n ILE 15 Cb 0.00 -2.18 0.29 0.00 -0.71 0.00 0.00 39.64 37.04 1bnp n ILE 15 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1bnp n THR 16 N -4.05 1.25 -0.01 1.39 5.66 -1.26 -1.75 114.28 115.51 1bnp n THR 16 Ca -0.05 0.37 -0.09 0.00 -3.05 0.00 0.00 64.05 61.23 1bnp n THR 16 Cb 0.20 -1.25 -0.07 0.00 -1.55 0.00 0.00 70.33 67.65 1bnp n THR 16 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1bnp h ASP 17 N 0.00 -0.09 1.71 1.09 3.58 -1.98 -2.03 116.42 118.71 1bnp h ASP 17 Ca 0.00 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1bnp h ASP 17 Cb 0.17 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1bnp h ASP 17 CO 0.00 0.58 -0.08 0.24 -2.88 0.00 0.00 179.24 177.10 1bnp h MET 18 N -0.93 0.00 0.00 0.28 2.86 -1.67 -1.70 114.93 113.76 1bnp h MET 18 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1bnp h MET 18 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1bnp h MET 18 CO 0.02 0.08 -0.06 1.25 1.06 0.00 0.00 176.91 179.26 1bnp h LEU 19 N 0.00 0.05 -0.49 1.22 6.46 -1.45 -2.95 115.31 118.16 1bnp h LEU 19 Ca -0.00 -0.80 0.00 0.00 -0.12 0.00 0.00 57.88 56.96 1bnp h LEU 19 Cb 0.96 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1bnp h LEU 19 CO 0.01 0.85 0.00 0.52 -0.62 0.00 0.00 178.44 179.20 1bnp n VAL 20 N -4.66 0.96 -0.03 1.05 0.31 -0.76 -2.68 118.33 112.52 1bnp n VAL 20 Ca -0.10 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.38 1bnp n VAL 20 Cb 0.42 -1.16 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bnp h GLU 21 N 0.00 0.24 -0.66 5.55 4.81 -1.13 -0.16 114.58 123.24 1bnp h GLU 21 Ca 0.00 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1bnp h GLU 21 Cb 0.28 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1bnp h GLU 21 CO 0.00 0.79 0.38 1.25 -0.73 0.00 0.00 179.01 180.70 1bnp h LEU 22 N -0.27 0.79 -0.97 1.64 6.46 -1.45 0.91 115.31 122.42 1bnp h LEU 22 Ca -0.01 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 1bnp h LEU 22 Cb 0.81 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1bnp h LEU 22 CO 0.04 0.62 -0.41 0.00 -0.62 0.00 0.00 178.44 178.07 1bnp h ALA 23 N 1.52 1.03 -0.03 1.25 0.00 -1.50 -2.20 119.26 119.33 1bnp h ALA 23 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 23 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bnp h ALA 23 CO -0.04 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.81 1bnp n ASN 24 N -3.63 0.52 -0.47 0.00 4.13 0.21 -4.15 115.26 111.87 1bnp n ASN 24 Ca -0.01 -1.33 0.38 0.00 1.68 0.00 0.00 54.58 55.31 1bnp n ASN 24 Cb 0.51 -0.02 0.68 0.00 -1.54 0.00 0.00 39.78 39.41 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1bnp h PHE 25 N 0.75 0.39 -5.48 3.10 -1.00 -0.62 -3.44 116.94 110.64 1bnp h PHE 25 Ca 0.00 0.02 -0.28 0.00 2.81 0.00 0.00 57.97 60.52 1bnp h PHE 25 Cb 0.16 -0.10 -0.11 0.00 3.61 0.00 0.00 35.95 39.51 1bnp h PHE 25 CO 0.02 -0.12 -0.40 0.39 -1.61 0.00 0.00 178.31 176.59 1bnp n GLU 26 N -4.50 -2.54 0.07 1.51 1.02 -1.26 -4.38 120.64 110.56 1bnp n GLU 26 Ca 0.36 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1bnp n GLU 26 Cb 1.46 -4.83 0.00 0.00 -0.02 0.00 0.00 31.44 28.05 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bnp n LYS 27 N -3.24 0.00 -0.33 3.49 4.81 -1.26 -4.83 118.16 116.80 1bnp n LYS 27 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1bnp n LYS 27 Cb 0.51 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.75 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bnp n ASN 28 N -2.64 2.75 0.00 3.14 2.85 -1.26 -4.44 115.26 115.65 1bnp n ASN 28 Ca 0.00 -2.24 0.00 0.00 -0.11 0.00 0.00 54.58 52.23 1bnp n ASN 28 Cb 0.00 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.59 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1bnp n VAL 29 N 0.48 0.00 -1.54 3.44 0.31 -1.26 -5.05 118.33 114.71 1bnp n VAL 29 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.11 1bnp n VAL 29 Cb 0.53 -0.04 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1bnp n SER 30 N -1.67 1.73 0.00 4.52 7.64 -1.26 -3.79 113.62 120.79 1bnp n SER 30 Ca 0.00 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1bnp n SER 30 Cb 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1bnp n SER 30 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1bnp n GLN 31 N 8.82 0.00 0.00 1.43 7.27 -1.26 -4.72 117.38 128.92 1bnp n GLN 31 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1bnp n GLN 31 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bnp n ALA 32 N 0.00 0.00 -2.41 1.69 0.00 -1.25 -5.16 120.51 113.38 1bnp n ALA 32 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1bnp n ALA 32 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1bnp n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bnp s ILE 33 N 0.00 4.94 0.06 0.00 -1.09 -1.26 -5.00 121.20 118.85 1bnp s ILE 33 Ca 0.00 0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 58.55 1bnp s ILE 33 Cb 0.00 -3.70 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1bnp s ILE 33 CO 0.00 -0.30 1.35 1.12 -1.23 0.00 0.00 174.94 175.88 1bnp h HIS 34 N 1.82 0.61 0.00 3.97 2.07 -2.01 -2.85 115.15 118.77 1bnp h HIS 34 Ca -0.47 -0.20 -0.03 0.00 -2.85 0.00 0.00 60.37 56.82 1bnp h HIS 34 Cb 1.18 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 31.04 1bnp h HIS 34 CO 0.59 0.89 -0.14 -0.22 -3.07 0.00 0.00 177.93 175.98 1bnp h LYS 35 N 0.15 0.00 0.08 5.12 3.64 -2.01 -3.16 116.57 120.39 1bnp h LYS 35 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1bnp h LYS 35 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1bnp h LYS 35 CO 0.06 0.14 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.43 1bnp h TYR 36 N 0.00 -0.10 0.00 1.91 3.20 -1.87 -1.24 116.97 118.87 1bnp h TYR 36 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bnp h TYR 36 Cb 0.74 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1bnp h TYR 36 CO 0.00 -0.01 0.00 -0.91 -1.64 0.00 0.00 178.16 175.60 1bnp h ASN 37 N -0.16 0.00 -0.60 -2.11 2.35 -1.50 -2.38 115.58 111.18 1bnp h ASN 37 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1bnp h ASN 37 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1bnp h ASN 37 CO 0.02 0.00 0.20 0.00 -1.65 0.00 0.00 177.43 176.00 1bnp h ALA 38 N 2.03 1.15 0.00 -0.83 0.00 -1.27 -2.42 119.26 117.92 1bnp h ALA 38 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1bnp h ALA 38 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1bnp h ALA 38 CO 0.00 0.59 -1.15 1.88 0.00 0.00 0.00 179.25 180.57 1bnp h TYR 39 N 0.94 0.00 -0.37 0.00 0.05 -1.46 -3.05 116.97 113.08 1bnp h TYR 39 Ca 0.21 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.88 1bnp h TYR 39 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1bnp h TYR 39 CO 0.02 0.35 -0.20 -0.09 -1.05 0.00 0.00 178.16 177.19 1bnp h ARG 40 N 0.00 0.79 0.00 4.88 1.12 -1.36 -1.00 114.38 118.81 1bnp h ARG 40 Ca -0.09 -0.35 -0.09 0.00 -1.11 0.00 0.00 59.98 58.34 1bnp h ARG 40 Cb 1.34 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 31.29 1bnp h ARG 40 CO 0.03 0.98 -0.34 0.87 -3.11 0.00 0.00 179.97 178.40 1bnp h LYS 41 N 0.58 0.23 0.00 0.20 1.57 -1.58 -3.04 116.57 114.53 1bnp h LYS 41 Ca 0.08 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1bnp h LYS 41 Cb 0.76 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1bnp h LYS 41 CO 0.06 0.97 -0.02 0.00 -0.57 0.00 0.00 179.45 179.90 1bnp h ALA 42 N 0.26 1.53 -0.14 3.86 0.00 -1.57 -1.74 119.26 121.46 1bnp h ALA 42 Ca -0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1bnp h ALA 42 Cb 1.10 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bnp h ALA 42 CO 0.07 0.02 -0.80 0.00 0.00 0.00 0.00 179.25 178.53 1bnp h ALA 43 N 1.98 0.30 -0.18 0.00 0.00 -1.16 -0.17 119.26 120.04 1bnp h ALA 43 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1bnp h ALA 43 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bnp h ALA 43 CO 0.00 0.69 -0.22 0.77 0.00 0.00 0.00 179.25 180.49 1bnp h SER 44 N 0.52 0.32 0.71 0.00 0.02 -1.21 -2.51 113.55 111.40 1bnp h SER 44 Ca -0.06 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1bnp h SER 44 Cb 1.44 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1bnp h SER 44 CO 0.16 0.56 -0.82 0.55 -1.14 0.00 0.00 176.83 176.14 1bnp n VAL 45 N -4.17 0.31 -0.06 2.27 3.14 -1.01 -3.42 118.33 115.39 1bnp n VAL 45 Ca -0.01 -0.29 -0.15 0.00 -2.96 0.00 0.00 64.34 60.94 1bnp n VAL 45 Cb 0.36 -0.02 -0.13 0.00 -1.06 0.00 0.00 33.84 32.98 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.00 1.74 -0.63 1.55 5.03 -0.73 -1.22 117.51 123.24 1bnp h ILE 46 Ca 0.00 -2.36 -0.04 0.00 -0.12 0.00 0.00 64.86 62.34 1bnp h ILE 46 Cb 0.76 3.34 -0.03 0.00 -3.03 0.00 0.00 36.82 37.86 1bnp h ILE 46 CO 0.00 0.61 0.23 0.00 -0.68 0.00 0.00 178.15 178.31 1bnp h ALA 47 N -0.01 1.22 -0.18 1.87 0.00 -1.63 -0.91 119.26 119.63 1bnp h ALA 47 Ca -0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 47 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bnp h ALA 47 CO 0.01 0.56 -0.40 0.87 0.00 0.00 0.00 179.25 180.29 1bnp h LYS 48 N 0.91 0.42 -6.71 0.00 1.57 -1.65 -3.44 116.57 107.67 1bnp h LYS 48 Ca 0.21 -0.20 -0.48 0.00 -1.87 0.00 0.00 60.65 58.31 1bnp h LYS 48 Cb 0.21 -0.00 0.23 0.00 0.08 0.00 0.00 32.23 32.74 1bnp h LYS 48 CO -0.02 0.75 -0.94 0.98 -0.57 0.00 0.00 179.45 179.66 1bnp n TYR 49 N -4.03 -1.45 0.25 -1.35 4.19 -0.34 -4.77 117.16 109.66 1bnp n TYR 49 Ca -0.01 0.16 0.16 0.00 3.31 0.00 0.00 57.90 61.52 1bnp n TYR 49 Cb 0.49 -1.63 0.85 0.00 0.49 0.00 0.00 39.34 39.54 1bnp n TYR 49 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1bnp h PRO 50 N -1.92 0.00 -2.71 2.98 0.11 -1.85 -3.46 132.00 125.15 1bnp h PRO 50 Ca -0.51 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1bnp h PRO 50 Cb 1.34 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.47 1bnp h PRO 50 CO 0.37 0.00 -0.11 1.58 -0.21 0.00 0.00 178.00 179.63 1bnp n HIS 51 N -2.63 -0.31 0.00 0.65 -0.00 -1.26 -5.05 115.22 106.62 1bnp n HIS 51 Ca -0.02 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1bnp n HIS 51 Cb 0.07 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.44 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1bnp n LYS 52 N -1.51 0.00 -3.85 1.57 2.85 -1.26 -4.26 118.16 111.70 1bnp n LYS 52 Ca -0.03 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.06 1bnp n LYS 52 Cb 0.52 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.74 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1bnp s ILE 53 N 0.00 0.06 0.06 0.58 -0.00 -1.26 -5.03 121.20 115.61 1bnp s ILE 53 Ca 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 60.65 60.78 1bnp s ILE 53 Cb 0.00 -0.19 -0.27 0.00 -0.00 0.00 0.00 42.46 42.00 1bnp s ILE 53 CO 0.00 0.12 1.06 0.50 -0.00 0.00 0.00 174.94 176.63 1bnp h LYS 54 N 7.34 0.23 0.00 0.37 3.64 -2.00 -3.47 116.57 122.68 1bnp h LYS 54 Ca -0.42 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.56 1bnp h LYS 54 Cb 1.13 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1bnp h LYS 54 CO 0.46 1.15 0.00 -1.13 -2.27 0.00 0.00 179.45 177.66 1bnp n SER 55 N -3.48 0.00 0.00 4.20 3.41 -1.26 -5.04 113.62 111.45 1bnp n SER 55 Ca -0.10 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1bnp n SER 55 Cb 1.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N 5.00 -0.88 0.60 5.00 0.00 -1.26 -4.63 105.19 109.02 1bnp n GLY 56 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp n ALA 57 N -0.17 2.47 -0.32 4.61 0.00 -1.26 -4.23 120.51 121.61 1bnp n ALA 57 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.94 1bnp n ALA 57 Cb 0.02 -1.01 0.27 0.00 0.00 0.00 0.00 19.45 18.72 1bnp n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1bnp h GLU 58 N 2.04 0.93 0.00 0.00 9.09 -1.96 0.26 114.58 124.94 1bnp h GLU 58 Ca 0.00 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.22 1bnp h GLU 58 Cb 0.46 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1bnp h GLU 58 CO 0.00 0.61 -0.66 0.00 0.05 0.00 0.00 179.01 179.01 1bnp h ALA 59 N 1.54 0.86 0.00 1.06 0.00 -1.89 -2.89 119.26 117.94 1bnp h ALA 59 Ca 0.44 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 59 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bnp h ALA 59 CO -0.20 0.83 -0.08 -0.22 0.00 0.00 0.00 179.25 179.58 1bnp h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.17 -2.69 116.57 116.35 1bnp h LYS 60 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1bnp h LYS 60 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1bnp h LYS 60 CO 0.09 0.08 -1.62 0.36 -2.27 0.00 0.00 179.45 176.09 1bnp n LYS 61 N -3.35 0.64 -1.28 1.90 2.85 -0.98 -4.90 118.16 113.03 1bnp n LYS 61 Ca -0.01 0.11 -0.36 0.00 -1.05 0.00 0.00 58.31 57.01 1bnp n LYS 61 Cb 0.25 -1.72 0.08 0.00 -0.65 0.00 0.00 35.03 32.99 1bnp n LYS 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 62 N -2.75 2.27 0.00 -5.58 4.77 -1.03 -4.97 117.00 109.71 1bnp n LEU 62 Ca -0.11 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1bnp n LEU 62 Cb 0.82 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1bnp n LEU 62 CO 0.43 -2.54 0.24 -0.81 -1.33 0.00 0.00 177.39 173.38 1bnp n PRO 63 N -1.46 0.00 -0.91 3.23 -0.04 -1.26 -3.99 135.00 130.56 1bnp n PRO 63 Ca 0.11 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 1bnp n PRO 63 Cb 0.50 -0.98 0.11 0.00 -0.04 0.00 0.00 33.50 33.09 1bnp n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bnp n GLY 64 N -0.06 4.00 3.28 0.55 0.00 -1.26 -4.88 105.19 106.82 1bnp n GLY 64 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1bnp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bnp s VAL 65 N -2.55 0.03 0.00 1.61 1.01 -1.26 -4.77 120.40 114.47 1bnp s VAL 65 Ca 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1bnp s VAL 65 Cb 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1bnp s VAL 65 CO 0.06 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1bnp n GLY 66 N 1.80 3.86 1.33 4.51 0.00 -1.10 -3.90 105.19 111.69 1bnp n GLY 66 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N -1.20 -3.03 0.00 2.61 -1.04 -1.26 -4.70 114.28 105.66 1bnp n THR 67 Ca 0.00 1.44 0.00 0.00 -2.04 0.00 0.00 64.05 63.45 1bnp n THR 67 Cb 0.00 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.26 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bnp n LYS 68 N -2.05 0.00 0.20 -2.82 3.00 -1.26 -3.95 118.16 111.28 1bnp n LYS 68 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1bnp n LYS 68 Cb 0.30 0.00 0.28 0.00 0.00 0.00 0.00 35.03 35.61 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 0.49 -0.25 3.15 5.03 -1.88 -3.13 117.51 120.93 1bnp h ILE 69 Ca 0.00 -1.39 0.07 0.00 -0.12 0.00 0.00 64.86 63.42 1bnp h ILE 69 Cb 0.00 2.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.78 1bnp h ILE 69 CO 0.00 0.24 0.20 0.00 -0.68 0.00 0.00 178.15 177.92 1bnp h ALA 70 N 1.75 2.09 -0.65 1.87 0.00 -1.88 -0.38 119.26 122.06 1bnp h ALA 70 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 70 Cb 0.98 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1bnp h ALA 70 CO 0.03 -0.33 0.16 0.93 0.00 0.00 0.00 179.25 180.04 1bnp h GLU 71 N 0.00 1.04 0.00 0.00 5.08 -1.86 -2.18 114.58 116.67 1bnp h GLU 71 Ca 0.12 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1bnp h GLU 71 Cb 0.52 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1bnp h GLU 71 CO -0.00 0.94 -0.33 0.87 -1.00 0.00 0.00 179.01 179.48 1bnp h LYS 72 N 0.97 0.00 0.42 2.33 1.79 -1.27 -2.73 116.57 118.08 1bnp h LYS 72 Ca 0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1bnp h LYS 72 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1bnp h LYS 72 CO 0.00 0.33 -0.20 0.82 -1.08 0.00 0.00 179.45 179.33 1bnp h ILE 73 N 0.00 0.59 0.00 1.86 1.08 -0.96 -2.18 117.51 117.91 1bnp h ILE 73 Ca -0.00 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1bnp h ILE 73 Cb 0.78 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1bnp h ILE 73 CO 0.04 0.02 -0.16 -0.78 -0.69 0.00 0.00 178.15 176.59 1bnp h ASP 74 N -0.63 0.00 -0.77 1.72 1.82 -1.50 -2.10 116.42 114.96 1bnp h ASP 74 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 1bnp h ASP 74 Cb 0.47 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 1bnp h ASP 74 CO 0.09 0.16 0.42 -0.33 -1.61 0.00 0.00 179.24 177.98 1bnp h GLU 75 N 0.00 1.08 -0.02 0.28 4.39 -1.09 0.67 114.58 119.90 1bnp h GLU 75 Ca -0.00 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1bnp h GLU 75 Cb 0.32 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1bnp h GLU 75 CO 0.02 0.80 0.01 0.74 -1.16 0.00 0.00 179.01 179.42 1bnp h PHE 76 N 1.09 0.03 -0.39 4.33 0.04 -0.81 -2.68 116.94 118.54 1bnp h PHE 76 Ca 0.27 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1bnp h PHE 76 Cb 0.03 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1bnp h PHE 76 CO 0.01 0.18 0.00 1.28 -0.60 0.00 0.00 178.31 179.18 1bnp n LEU 77 N -4.99 3.74 -0.08 1.54 4.77 -1.02 -3.44 117.00 117.52 1bnp n LEU 77 Ca -0.07 -1.89 -0.07 0.00 -0.03 0.00 0.00 56.01 53.95 1bnp n LEU 77 Cb 0.11 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1bnp n LEU 77 CO 0.33 0.52 -0.39 0.00 -1.33 0.00 0.00 177.39 176.52 1bnp n ALA 78 N 0.49 0.51 -2.68 -1.18 0.00 0.23 -4.85 120.51 113.03 1bnp n ALA 78 Ca 0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 1bnp n ALA 78 Cb 0.77 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 20.28 1bnp n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bnp n THR 79 N -4.59 0.19 -1.71 0.00 -2.24 -1.24 -4.99 114.28 99.70 1bnp n THR 79 Ca -0.11 -1.28 -0.33 0.00 -2.27 0.00 0.00 64.05 60.07 1bnp n THR 79 Cb 0.33 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bnp n GLY 80 N -1.38 4.72 2.87 3.38 0.00 -1.22 -4.65 105.19 108.91 1bnp n GLY 80 Ca -0.14 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1bnp n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnp s LYS 81 N -1.32 0.88 -0.51 1.61 0.00 -1.26 -5.01 119.74 114.13 1bnp s LYS 81 Ca 0.57 -0.87 0.03 0.00 0.00 0.00 0.00 55.97 55.70 1bnp s LYS 81 Cb 0.28 -0.29 0.43 0.00 0.00 0.00 0.00 37.83 38.26 1bnp s LYS 81 CO -0.15 -1.26 1.54 1.47 0.00 0.00 0.00 175.35 176.95 1bnp n LEU 82 N 3.70 6.07 -4.07 2.77 -0.00 -1.26 -4.97 117.00 119.23 1bnp n LEU 82 Ca 0.16 -4.73 -0.25 0.00 -0.00 0.00 0.00 56.01 51.19 1bnp n LEU 82 Cb 0.53 -0.65 -0.16 0.00 -0.00 0.00 0.00 43.42 43.13 1bnp n LEU 82 CO 0.02 1.90 -0.48 -0.13 -0.00 0.00 0.00 177.39 178.70 1bnp s ARG 83 N -3.73 1.80 -1.08 1.47 1.81 -1.26 -5.07 118.95 112.89 1bnp s ARG 83 Ca 0.55 -0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 53.89 1bnp s ARG 83 Cb 0.44 -1.49 0.16 0.00 -0.45 0.00 0.00 34.95 33.61 1bnp s ARG 83 CO -0.09 0.11 1.27 0.21 -0.68 0.00 0.00 175.30 176.12 1bnp s LYS 84 N 0.41 3.88 -0.01 3.54 2.20 -1.26 -4.64 119.74 123.86 1bnp s LYS 84 Ca -0.11 -2.29 0.23 0.00 -0.36 0.00 0.00 55.97 53.44 1bnp s LYS 84 Cb -0.14 -4.95 0.39 0.00 -1.51 0.00 0.00 37.83 31.62 1bnp s LYS 84 CO 0.04 -1.72 1.15 1.28 -0.36 0.00 0.00 175.35 175.74 1bnp n LEU 85 N 5.76 0.82 -4.14 5.43 4.32 -1.26 -5.10 117.00 122.83 1bnp n LEU 85 Ca 0.30 -2.05 -0.10 0.00 -0.02 0.00 0.00 56.01 54.14 1bnp n LEU 85 Cb 0.45 0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.18 1bnp n LEU 85 CO 0.55 0.63 -0.29 -1.83 -1.22 0.00 0.00 177.39 175.23 1bnp s GLU 86 N -0.18 0.92 0.00 3.23 1.03 -1.26 -5.30 118.70 117.14 1bnp s GLU 86 Ca 0.30 -1.42 0.13 0.00 0.03 0.00 0.00 54.97 54.01 1bnp s GLU 86 Cb 0.35 0.24 0.10 0.00 -0.80 0.00 0.00 34.13 34.03 1bnp s GLU 86 CO -0.15 -0.26 0.91 0.36 -1.33 0.00 0.00 175.26 174.80