#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp s SER 2 N 0.00 0.08 0.36 7.83 0.15 -1.26 -5.11 113.70 115.76 1bnp s SER 2 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1bnp s SER 2 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1bnp s SER 2 CO 0.00 -0.28 0.00 0.29 1.20 0.00 0.00 173.24 174.45 1bnp n LYS 3 N 1.82 -2.96 -1.15 5.44 5.02 -1.26 -4.81 118.16 120.26 1bnp n LYS 3 Ca -0.21 2.00 -0.29 0.00 -2.02 0.00 0.00 58.31 57.79 1bnp n LYS 3 Cb 0.56 -3.60 0.20 0.00 -0.02 0.00 0.00 35.03 32.17 1bnp n LYS 3 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bnp s ARG 4 N -2.39 -0.19 0.00 1.97 3.52 -1.26 -5.04 118.95 115.56 1bnp s ARG 4 Ca 0.00 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1bnp s ARG 4 Cb 0.00 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1bnp s ARG 4 CO 0.00 -3.10 0.00 1.17 -0.81 0.00 0.00 175.30 172.56 1bnp n LYS 5 N -4.39 0.00 -2.77 5.12 3.00 -1.26 -5.00 118.16 112.86 1bnp n LYS 5 Ca 0.08 0.11 -0.25 0.00 -0.00 0.00 0.00 58.31 58.25 1bnp n LYS 5 Cb 0.58 -0.53 0.02 0.00 0.00 0.00 0.00 35.03 35.09 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bnp s ALA 6 N -3.37 3.56 1.28 3.14 0.00 -1.26 -5.08 121.76 120.04 1bnp s ALA 6 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1bnp s ALA 6 Cb 0.00 -2.34 0.22 0.00 0.00 0.00 0.00 23.12 21.00 1bnp s ALA 6 CO 0.00 -0.50 0.52 -2.30 0.00 0.00 0.00 175.76 173.48 1bnp n PRO 7 N -2.25 -3.61 -1.55 0.00 -0.02 -1.26 -4.84 135.00 121.47 1bnp n PRO 7 Ca 0.02 -0.86 -0.28 0.00 -2.02 0.00 0.00 63.50 60.35 1bnp n PRO 7 Cb 0.57 -1.10 -0.05 0.00 -0.02 0.00 0.00 33.50 32.90 1bnp n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bnp n GLN 8 N -4.19 2.72 -4.16 -0.52 10.64 -1.26 -4.89 117.38 115.71 1bnp n GLN 8 Ca 0.08 -2.46 -0.15 0.00 -1.83 0.00 0.00 57.00 52.64 1bnp n GLN 8 Cb 0.35 -2.21 -0.11 0.00 -0.86 0.00 0.00 30.24 27.41 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1bnp s GLU 9 N -1.51 0.81 -0.11 2.61 2.02 -1.26 -5.14 118.70 116.11 1bnp s GLU 9 Ca 0.59 -1.06 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 1bnp s GLU 9 Cb 0.35 -0.60 0.06 0.00 0.10 0.00 0.00 34.13 34.04 1bnp s GLU 9 CO -0.20 0.11 0.23 0.95 0.02 0.00 0.00 175.26 176.37 1bnp s THR 10 N -1.99 -0.35 1.24 3.63 -4.23 -1.26 -5.03 115.64 107.65 1bnp s THR 10 Ca 0.02 0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.64 1bnp s THR 10 Cb -0.06 -0.39 0.30 0.00 1.34 0.00 0.00 72.50 73.69 1bnp s THR 10 CO 0.01 0.13 1.04 -0.76 -0.54 0.00 0.00 174.62 174.50 1bnp s LEU 11 N 2.33 0.27 -0.14 4.79 1.02 -1.26 -5.07 118.68 120.62 1bnp s LEU 11 Ca 0.01 0.88 -0.09 0.00 0.02 0.00 0.00 54.13 54.95 1bnp s LEU 11 Cb -0.12 -2.59 0.05 0.00 0.02 0.00 0.00 46.19 43.55 1bnp s LEU 11 CO -0.08 -4.40 0.35 0.54 0.02 0.00 0.00 176.35 172.79 1bnp s ASN 12 N -3.44 -0.41 0.00 2.29 4.22 -1.26 -4.93 114.94 111.41 1bnp s ASN 12 Ca 0.69 0.75 0.00 0.00 -2.14 0.00 0.00 52.86 52.16 1bnp s ASN 12 Cb -0.14 0.67 0.00 0.00 1.28 0.00 0.00 41.25 43.06 1bnp s ASN 12 CO 0.58 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 176.09 1bnp n GLY 13 N 3.80 2.55 0.00 0.45 0.00 -1.26 -4.96 105.19 105.77 1bnp n GLY 13 Ca -0.20 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 1.09 1.86 0.06 -0.02 0.00 -1.26 -4.97 105.19 101.95 1bnp n GLY 14 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.04 1.16 0.22 -0.61 5.41 -1.26 -2.71 119.36 120.54 1bnp n ILE 15 Ca 0.00 0.27 0.11 0.00 1.00 0.00 0.00 62.75 64.13 1bnp n ILE 15 Cb 0.00 -2.23 0.69 0.00 -0.71 0.00 0.00 39.64 37.39 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N -0.82 0.87 0.00 1.39 1.03 -1.88 -0.82 112.91 112.67 1bnp h THR 16 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1bnp h THR 16 Cb 0.42 0.95 -0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1bnp h THR 16 CO 0.00 0.00 -0.16 -0.78 -0.01 0.00 0.00 175.52 174.57 1bnp h ASP 17 N 0.00 0.00 0.00 0.00 1.82 -1.95 -2.93 116.42 113.36 1bnp h ASP 17 Ca 0.04 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1bnp h ASP 17 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1bnp h ASP 17 CO -0.00 0.83 0.03 0.24 -1.61 0.00 0.00 179.24 178.73 1bnp h MET 18 N -1.00 0.00 0.17 0.28 2.86 -1.36 0.17 114.93 116.04 1bnp h MET 18 Ca -0.03 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.29 1bnp h MET 18 Cb 0.60 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.28 1bnp h MET 18 CO -0.02 0.00 -1.50 1.25 1.06 0.00 0.00 176.91 177.70 1bnp h LEU 19 N 0.00 0.56 -0.61 1.22 6.46 -1.23 -3.13 115.31 118.58 1bnp h LEU 19 Ca 0.00 -0.70 0.00 0.00 -0.12 0.00 0.00 57.88 57.06 1bnp h LEU 19 Cb 0.05 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1bnp h LEU 19 CO 0.00 1.56 0.00 0.52 -0.62 0.00 0.00 178.44 179.90 1bnp n VAL 20 N -3.56 0.81 -0.06 1.05 0.31 -0.04 -2.01 118.33 114.82 1bnp n VAL 20 Ca -0.16 0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 1bnp n VAL 20 Cb 1.06 -1.10 -0.13 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.03 -0.29 5.55 4.81 -1.29 0.54 114.58 123.93 1bnp h GLU 21 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1bnp h GLU 21 Cb 0.40 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1bnp h GLU 21 CO 0.00 1.02 0.13 1.25 -0.73 0.00 0.00 179.01 180.69 1bnp h LEU 22 N -0.93 0.36 -0.22 1.64 7.12 -1.48 0.88 115.31 122.67 1bnp h LEU 22 Ca -0.06 -0.03 -0.13 0.00 0.13 0.00 0.00 57.88 57.79 1bnp h LEU 22 Cb 1.10 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1bnp h LEU 22 CO -0.01 0.32 -0.64 0.00 -0.13 0.00 0.00 178.44 177.98 1bnp h ALA 23 N 1.74 0.65 0.00 1.25 0.00 -1.46 -2.85 119.26 118.59 1bnp h ALA 23 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bnp h ALA 23 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bnp h ALA 23 CO -0.01 0.80 0.00 0.09 0.00 0.00 0.00 179.25 180.13 1bnp n ASN 24 N -3.36 0.00 -0.16 0.00 3.02 0.24 -4.08 115.26 110.92 1bnp n ASN 24 Ca 0.01 0.25 0.07 0.00 -0.03 0.00 0.00 54.58 54.87 1bnp n ASN 24 Cb 0.75 -0.39 0.14 0.00 -0.61 0.00 0.00 39.78 39.67 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1bnp n PHE 25 N -1.39 0.30 -2.13 3.10 3.01 -0.82 -4.70 117.46 114.83 1bnp n PHE 25 Ca 0.07 0.56 -0.08 0.00 1.01 0.00 0.00 57.45 59.01 1bnp n PHE 25 Cb 0.18 -0.85 -0.01 0.00 -0.01 0.00 0.00 39.48 38.79 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bnp n GLU 26 N -4.52 -2.15 0.00 -1.08 2.13 -1.26 -4.49 120.64 109.28 1bnp n GLU 26 Ca 0.11 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1bnp n GLU 26 Cb 0.36 -4.86 0.00 0.00 0.27 0.00 0.00 31.44 27.21 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bnp n LYS 27 N -2.38 0.00 0.09 5.31 4.81 -1.26 -4.69 118.16 120.05 1bnp n LYS 27 Ca -0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.31 1bnp n LYS 27 Cb 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.52 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1bnp h ASN 28 N 0.00 0.00 0.23 3.14 -1.24 -1.98 -3.30 115.58 112.42 1bnp h ASN 28 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.67 1bnp h ASN 28 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1bnp h ASN 28 CO 0.00 0.81 -2.02 0.52 -1.29 0.00 0.00 177.43 175.45 1bnp n VAL 29 N -3.43 1.61 -2.49 2.57 0.31 -1.26 -4.82 118.33 110.83 1bnp n VAL 29 Ca 0.00 -0.73 -0.23 0.00 -0.01 0.00 0.00 64.34 63.37 1bnp n VAL 29 Cb 0.82 -1.22 0.08 0.00 -0.91 0.00 0.00 33.84 32.61 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bnp s SER 30 N -6.35 4.75 -2.02 4.52 0.01 -1.24 -3.55 113.70 109.81 1bnp s SER 30 Ca -0.15 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1bnp s SER 30 Cb 0.07 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1bnp s SER 30 CO 0.78 -1.57 0.00 0.00 0.41 0.00 0.00 173.24 172.86 1bnp n GLN 31 N -2.71 -1.45 0.00 12.44 3.00 -1.26 -4.40 117.38 122.99 1bnp n GLN 31 Ca 0.11 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 58.22 1bnp n GLN 31 Cb 0.60 -5.51 0.00 0.00 0.00 0.00 0.00 30.24 25.34 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bnp n ALA 32 N 0.95 0.00 -1.15 -1.58 0.00 -1.26 -5.09 120.51 112.38 1bnp n ALA 32 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1bnp n ALA 32 Cb 0.64 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 1bnp n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bnp n ILE 33 N 0.00 1.62 0.00 0.00 2.08 -1.23 -4.82 119.36 117.01 1bnp n ILE 33 Ca 0.00 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1bnp n ILE 33 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.02 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp n HIS 34 N -2.85 -0.23 -1.68 1.39 1.44 -1.26 -4.93 115.22 107.10 1bnp n HIS 34 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1bnp n HIS 34 Cb 0.51 0.05 0.01 0.00 0.12 0.00 0.00 29.99 30.67 1bnp n HIS 34 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1bnp n LYS 35 N -1.21 0.10 -0.19 -1.40 4.76 -1.26 -4.86 118.16 114.11 1bnp n LYS 35 Ca 0.00 -0.96 -0.09 0.00 -2.87 0.00 0.00 58.31 54.39 1bnp n LYS 35 Cb 0.00 -0.55 0.01 0.00 -1.84 0.00 0.00 35.03 32.65 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1bnp h TYR 36 N 0.00 0.95 0.00 2.13 3.20 -1.92 -1.85 116.97 119.48 1bnp h TYR 36 Ca 0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1bnp h TYR 36 Cb 1.27 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1bnp h TYR 36 CO 0.07 0.84 0.00 -0.91 -1.64 0.00 0.00 178.16 176.52 1bnp h ASN 37 N 0.78 0.00 0.03 -2.11 2.35 -1.97 -1.76 115.58 112.89 1bnp h ASN 37 Ca 0.16 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1bnp h ASN 37 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1bnp h ASN 37 CO 0.01 0.00 -0.37 0.00 -1.65 0.00 0.00 177.43 175.42 1bnp h ALA 38 N 2.02 0.99 0.00 -0.83 0.00 -1.70 -2.37 119.26 117.36 1bnp h ALA 38 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1bnp h ALA 38 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1bnp h ALA 38 CO 0.00 0.61 -1.40 1.88 0.00 0.00 0.00 179.25 180.34 1bnp h TYR 39 N 0.38 0.00 -0.34 0.00 0.05 -1.40 -2.41 116.97 113.26 1bnp h TYR 39 Ca 0.04 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.65 1bnp h TYR 39 Cb 0.82 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1bnp h TYR 39 CO 0.03 0.86 -0.46 -0.09 -1.05 0.00 0.00 178.16 177.44 1bnp h ARG 40 N 0.00 0.89 0.23 4.88 1.12 -1.43 -2.29 114.38 117.78 1bnp h ARG 40 Ca -0.18 -0.51 -0.31 0.00 -1.11 0.00 0.00 59.98 57.87 1bnp h ARG 40 Cb 1.81 0.04 0.03 0.00 -0.01 0.00 0.00 29.97 31.84 1bnp h ARG 40 CO 0.08 1.16 -1.37 0.87 -3.11 0.00 0.00 179.97 177.60 1bnp h LYS 41 N 0.71 0.48 0.54 0.20 1.57 -1.55 -3.04 116.57 115.49 1bnp h LYS 41 Ca 0.04 -0.82 -0.02 0.00 -1.87 0.00 0.00 60.65 57.98 1bnp h LYS 41 Cb 1.05 0.31 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1bnp h LYS 41 CO 0.11 1.39 -0.29 0.00 -0.57 0.00 0.00 179.45 180.09 1bnp h ALA 42 N 0.13 -0.78 -0.67 3.86 0.00 -1.47 -2.63 119.26 117.70 1bnp h ALA 42 Ca -0.24 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1bnp h ALA 42 Cb 2.05 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 20.15 1bnp h ALA 42 CO 0.24 -0.94 0.44 0.00 0.00 0.00 0.00 179.25 178.99 1bnp h ALA 43 N -0.33 1.66 0.00 0.00 0.00 -1.56 -1.46 119.26 117.57 1bnp h ALA 43 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 43 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bnp h ALA 43 CO 0.09 0.26 -0.08 1.03 0.00 0.00 0.00 179.25 180.55 1bnp h SER 44 N 0.77 0.00 0.67 0.00 0.87 -1.35 -2.55 113.55 111.96 1bnp h SER 44 Ca 0.28 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.65 1bnp h SER 44 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1bnp h SER 44 CO -0.08 0.08 -1.46 0.55 -0.53 0.00 0.00 176.83 175.39 1bnp n VAL 45 N -4.22 1.26 0.02 2.23 3.14 -0.58 -4.19 118.33 115.98 1bnp n VAL 45 Ca -0.03 -0.71 -0.19 0.00 -2.96 0.00 0.00 64.34 60.46 1bnp n VAL 45 Cb 0.16 -0.79 -0.13 0.00 -1.06 0.00 0.00 33.84 32.02 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 1.49 -0.74 1.55 1.08 -1.16 -2.67 117.51 117.06 1bnp h ILE 46 Ca -0.18 -2.32 0.15 0.00 -0.39 0.00 0.00 64.86 62.12 1bnp h ILE 46 Cb 1.65 2.96 -0.10 0.00 -3.07 0.00 0.00 36.82 38.26 1bnp h ILE 46 CO 0.05 0.66 0.25 0.00 -0.69 0.00 0.00 178.15 178.42 1bnp h ALA 47 N 0.18 1.01 -0.21 1.87 0.00 -1.66 0.54 119.26 120.98 1bnp h ALA 47 Ca -0.10 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 47 Cb 1.46 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1bnp h ALA 47 CO 0.13 -0.27 -0.42 0.87 0.00 0.00 0.00 179.25 179.55 1bnp h LYS 48 N 0.36 0.52 -7.14 0.00 1.57 -1.73 -3.44 116.57 106.70 1bnp h LYS 48 Ca 0.41 -0.27 -0.54 0.00 -1.87 0.00 0.00 60.65 58.39 1bnp h LYS 48 Cb 0.67 0.01 0.19 0.00 0.08 0.00 0.00 32.23 33.17 1bnp h LYS 48 CO -0.45 0.85 0.21 0.98 -0.57 0.00 0.00 179.45 180.47 1bnp n TYR 49 N -4.02 0.91 0.16 -1.35 9.36 0.19 -4.83 117.16 117.58 1bnp n TYR 49 Ca -0.02 0.39 0.02 0.00 3.32 0.00 0.00 57.90 61.61 1bnp n TYR 49 Cb 0.52 -2.06 0.09 0.00 -0.63 0.00 0.00 39.34 37.27 1bnp n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1bnp n PRO 50 N -3.14 0.01 0.00 2.98 -0.02 -1.26 -4.92 135.00 128.65 1bnp n PRO 50 Ca 0.13 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1bnp n PRO 50 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bnp n HIS 51 N -1.46 -0.55 -3.35 6.00 8.25 -1.26 -5.01 115.22 117.84 1bnp n HIS 51 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 1bnp n HIS 51 Cb 0.05 0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.21 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnp n LYS 52 N -0.12 -1.27 -3.07 -0.41 2.85 -1.26 -4.88 118.16 110.00 1bnp n LYS 52 Ca 0.00 1.19 -0.42 0.00 -1.05 0.00 0.00 58.31 58.03 1bnp n LYS 52 Cb 0.00 -1.72 -0.06 0.00 -0.65 0.00 0.00 35.03 32.60 1bnp n LYS 52 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1bnp s ILE 53 N -1.29 4.87 -0.08 0.58 -1.09 -1.26 -4.91 121.20 118.01 1bnp s ILE 53 Ca 0.22 0.82 0.14 0.00 -2.23 0.00 0.00 60.65 59.59 1bnp s ILE 53 Cb -0.02 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 1bnp s ILE 53 CO 0.51 -0.25 1.16 0.07 -1.23 0.00 0.00 174.94 175.20 1bnp h LYS 54 N 8.31 0.00 -4.66 2.79 2.10 -1.96 -3.46 116.57 119.68 1bnp h LYS 54 Ca -0.26 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.04 1bnp h LYS 54 Cb 1.11 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.18 1bnp h LYS 54 CO 0.84 0.54 -0.76 0.45 -2.00 0.00 0.00 179.45 178.52 1bnp s SER 55 N -6.28 0.98 0.61 7.07 0.15 -1.26 -5.01 113.70 109.95 1bnp s SER 55 Ca 0.01 -0.30 0.40 0.00 0.70 0.00 0.00 55.95 56.76 1bnp s SER 55 Cb 0.08 -0.06 2.09 0.00 -1.71 0.00 0.00 66.02 66.42 1bnp s SER 55 CO 0.79 -0.00 2.23 1.23 1.20 0.00 0.00 173.24 178.68 1bnp h GLY 56 N 5.38 0.00 1.53 9.45 0.00 -1.93 -2.33 103.07 115.16 1bnp h GLY 56 Ca -0.33 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1bnp h GLY 56 CO 0.46 0.00 0.25 0.00 0.00 0.00 0.00 176.54 177.26 1bnp h ALA 57 N 2.01 1.86 0.13 3.60 0.00 -1.97 -2.47 119.26 122.40 1bnp h ALA 57 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 57 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bnp h ALA 57 CO 0.00 0.10 -0.06 0.93 0.00 0.00 0.00 179.25 180.22 1bnp h GLU 58 N 0.40 -0.17 -0.01 0.00 5.08 -1.85 -2.46 114.58 115.57 1bnp h GLU 58 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1bnp h GLU 58 Cb 0.12 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1bnp h GLU 58 CO -0.04 0.11 0.12 0.00 -1.00 0.00 0.00 179.01 178.20 1bnp h ALA 59 N 0.39 1.18 0.06 3.43 0.00 -1.60 -2.16 119.26 120.56 1bnp h ALA 59 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 59 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1bnp h ALA 59 CO 0.03 -0.13 -0.52 0.87 0.00 0.00 0.00 179.25 179.50 1bnp h LYS 60 N 0.00 0.24 0.00 0.00 6.56 -1.12 -3.26 116.57 118.99 1bnp h LYS 60 Ca 0.01 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.24 1bnp h LYS 60 Cb 0.25 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1bnp h LYS 60 CO -0.00 1.11 -0.03 1.57 -2.06 0.00 0.00 179.45 180.04 1bnp h LYS 61 N -0.46 0.00 -6.04 3.15 2.10 -1.11 -3.42 116.57 110.80 1bnp h LYS 61 Ca -0.08 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.97 1bnp h LYS 61 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1bnp h LYS 61 CO 0.10 0.03 1.44 1.28 -2.00 0.00 0.00 179.45 180.30 1bnp n LEU 62 N -3.81 3.18 0.23 7.07 4.77 -1.14 -4.82 117.00 122.49 1bnp n LEU 62 Ca -0.03 0.34 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1bnp n LEU 62 Cb 0.12 -1.50 0.57 0.00 -2.33 0.00 0.00 43.42 40.28 1bnp n LEU 62 CO 0.28 -0.57 0.91 1.55 -1.33 0.00 0.00 177.39 178.23 1bnp h PRO 63 N 13.91 0.00 0.00 3.23 0.13 -1.90 -2.24 132.00 145.13 1bnp h PRO 63 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1bnp h PRO 63 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bnp h PRO 63 CO 0.97 0.17 -0.00 0.78 -0.23 0.00 0.00 178.00 179.69 1bnp h GLY 64 N 0.66 0.00 -1.75 1.56 0.00 -1.87 -3.43 103.07 98.24 1bnp h GLY 64 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1bnp h GLY 64 CO 0.02 0.00 -0.60 0.14 0.00 0.00 0.00 176.54 176.10 1bnp s VAL 65 N -4.78 1.66 0.00 4.60 1.01 -0.84 -4.05 120.40 118.00 1bnp s VAL 65 Ca -0.05 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1bnp s VAL 65 Cb 0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1bnp s VAL 65 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1bnp n GLY 66 N -0.88 0.85 2.70 4.51 0.00 -1.26 -4.76 105.19 106.36 1bnp n GLY 66 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.44 0.00 2.61 -1.04 -1.26 -4.59 114.28 111.43 1bnp n THR 67 Ca 0.00 -3.15 0.00 0.00 -2.04 0.00 0.00 64.05 58.86 1bnp n THR 67 Cb 0.00 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bnp n LYS 68 N -0.56 0.00 0.04 -2.82 5.02 -1.26 -4.78 118.16 113.80 1bnp n LYS 68 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1bnp n LYS 68 Cb 0.82 -0.47 0.26 0.00 -0.02 0.00 0.00 35.03 35.62 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1bnp n ILE 69 N -2.52 0.23 -0.29 -0.18 2.08 -1.26 -3.93 119.36 113.48 1bnp n ILE 69 Ca 0.00 -0.17 0.02 0.00 0.56 0.00 0.00 62.75 63.16 1bnp n ILE 69 Cb 0.29 -0.09 0.21 0.00 -0.75 0.00 0.00 39.64 39.30 1bnp n ILE 69 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp h ALA 70 N 2.70 1.44 -0.27 -1.39 0.00 -1.86 -0.57 119.26 119.32 1bnp h ALA 70 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 70 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1bnp h ALA 70 CO 0.00 0.47 0.06 1.05 0.00 0.00 0.00 179.25 180.84 1bnp h GLU 71 N 1.11 0.38 -0.43 0.00 4.11 -1.91 -1.52 114.58 116.31 1bnp h GLU 71 Ca 0.35 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.68 1bnp h GLU 71 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1bnp h GLU 71 CO -0.10 0.35 0.06 0.87 0.07 0.00 0.00 179.01 180.27 1bnp h LYS 72 N 0.38 0.67 -0.59 1.06 1.79 -1.32 -0.46 116.57 118.09 1bnp h LYS 72 Ca 0.09 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1bnp h LYS 72 Cb 0.15 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1bnp h LYS 72 CO -0.00 0.64 0.19 0.82 -1.08 0.00 0.00 179.45 180.02 1bnp h ILE 73 N 0.64 1.23 0.00 1.86 1.08 -1.09 -1.07 117.51 120.16 1bnp h ILE 73 Ca 0.14 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1bnp h ILE 73 Cb 0.31 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1bnp h ILE 73 CO 0.00 0.30 0.00 -0.78 -0.69 0.00 0.00 178.15 176.98 1bnp h ASP 74 N 0.86 0.00 -0.26 1.72 3.58 -1.21 -3.05 116.42 118.08 1bnp h ASP 74 Ca 0.20 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.57 1bnp h ASP 74 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1bnp h ASP 74 CO -0.01 0.00 -0.16 -0.33 -2.88 0.00 0.00 179.24 175.86 1bnp h GLU 75 N 0.00 0.56 0.01 0.28 5.08 0.24 0.31 114.58 121.06 1bnp h GLU 75 Ca 0.00 -0.26 -0.20 0.00 -1.00 0.00 0.00 59.36 57.90 1bnp h GLU 75 Cb 0.79 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1bnp h GLU 75 CO 0.00 0.83 -0.94 0.74 -1.00 0.00 0.00 179.01 178.63 1bnp h PHE 76 N 0.28 0.04 -0.01 4.33 0.04 -1.59 -2.33 116.94 117.70 1bnp h PHE 76 Ca 0.05 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1bnp h PHE 76 Cb 0.68 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1bnp h PHE 76 CO 0.07 0.95 -0.25 1.28 -0.60 0.00 0.00 178.31 179.76 1bnp n LEU 77 N -3.45 1.10 0.00 1.54 7.99 -1.15 -4.49 117.00 118.54 1bnp n LEU 77 Ca -0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 56.01 55.69 1bnp n LEU 77 Cb 0.88 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 44.09 1bnp n LEU 77 CO 0.47 0.20 0.00 0.00 -1.51 0.00 0.00 177.39 176.55 1bnp n ALA 78 N -0.56 0.00 -1.99 -1.18 0.00 0.11 -4.71 120.51 112.18 1bnp n ALA 78 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1bnp n ALA 78 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 1bnp n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bnp n THR 79 N -1.13 0.00 -1.41 0.00 5.66 -1.25 -4.86 114.28 111.30 1bnp n THR 79 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1bnp n THR 79 Cb 0.00 0.47 0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N 0.00 5.86 1.34 1.09 0.00 -0.88 -4.37 105.19 108.22 1bnp n GLY 80 Ca -0.26 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.42 1bnp n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bnp n LYS 81 N -0.88 0.00 -2.12 1.61 0.00 -1.26 -4.77 118.16 110.75 1bnp n LYS 81 Ca 0.62 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 58.52 1bnp n LYS 81 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 35.03 35.37 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bnp s LEU 82 N -5.00 4.40 0.50 3.14 2.01 -1.26 -4.75 118.68 117.73 1bnp s LEU 82 Ca 0.00 2.67 0.00 0.00 0.01 0.00 0.00 54.13 56.81 1bnp s LEU 82 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1bnp s LEU 82 CO 0.00 -0.56 0.00 0.54 1.01 0.00 0.00 176.35 177.34 1bnp n ARG 83 N 0.72 -3.14 -3.09 1.70 3.00 -1.26 -4.87 116.66 109.71 1bnp n ARG 83 Ca 0.00 2.37 -0.16 0.00 -0.01 0.00 0.00 57.85 60.05 1bnp n ARG 83 Cb 0.42 -3.76 -0.05 0.00 0.00 0.00 0.00 32.46 29.08 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1bnp n LYS 84 N -4.30 0.37 -1.44 5.56 3.00 -1.26 -5.06 118.16 115.03 1bnp n LYS 84 Ca -0.04 -2.64 0.18 0.00 -0.00 0.00 0.00 58.31 55.81 1bnp n LYS 84 Cb 0.69 -1.56 -0.06 0.00 0.00 0.00 0.00 35.03 34.09 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1bnp n LEU 85 N 2.82 -0.84 -3.60 3.14 4.32 -1.26 -5.01 117.00 116.56 1bnp n LEU 85 Ca 0.24 1.93 -0.01 0.00 -0.02 0.00 0.00 56.01 58.15 1bnp n LEU 85 Cb 0.52 -4.62 -0.06 0.00 -1.62 0.00 0.00 43.42 37.64 1bnp n LEU 85 CO 0.04 -3.08 0.73 -1.83 -1.22 0.00 0.00 177.39 172.02 1bnp s GLU 86 N -3.15 0.31 0.00 3.23 -1.05 -1.26 -5.26 118.70 111.51 1bnp s GLU 86 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1bnp s GLU 86 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1bnp s GLU 86 CO 0.00 -0.07 0.15 1.17 0.95 0.00 0.00 175.26 177.46