#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnp n GLU 2 N 0.00 -4.24 -2.94 0.00 -0.58 -1.26 -5.08 120.64 106.54 2bnp n GLU 2 Ca 0.00 3.08 -0.40 0.00 -0.42 0.00 0.00 57.16 59.42 2bnp n GLU 2 Cb 0.00 -3.30 -0.05 0.00 -0.57 0.00 0.00 31.44 27.52 2bnp n GLU 2 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2bnp s TYR 3 N -1.16 3.72 -0.59 -0.32 5.04 -1.26 -5.00 117.35 117.78 2bnp s TYR 3 Ca 0.00 1.50 0.22 0.00 -2.44 0.00 0.00 57.07 56.34 2bnp s TYR 3 Cb 0.00 -2.87 -0.19 0.00 0.35 0.00 0.00 41.96 39.25 2bnp s TYR 3 CO 0.00 0.22 0.80 1.04 -1.34 0.00 0.00 175.55 176.26 2bnp n GLN 4 N 3.02 0.29 -2.56 4.97 1.13 -1.26 -4.99 117.38 117.98 2bnp n GLN 4 Ca -0.01 -0.07 -0.15 0.00 -1.94 0.00 0.00 57.00 54.83 2bnp n GLN 4 Cb 0.50 -1.53 0.01 0.00 0.11 0.00 0.00 30.24 29.33 2bnp n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2bnp n ASN 5 N -1.86 -4.59 -0.07 1.08 5.15 -1.26 -4.91 115.26 108.80 2bnp n ASN 5 Ca 0.01 -0.12 -0.21 0.00 -0.60 0.00 0.00 54.58 53.66 2bnp n ASN 5 Cb 0.43 -3.58 -0.12 0.00 -0.53 0.00 0.00 39.78 35.98 2bnp n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2bnp h ILE 6 N -0.54 0.91 -4.13 -1.44 1.08 -1.96 -3.47 117.51 107.96 2bnp h ILE 6 Ca -0.36 -2.23 -0.69 0.00 -0.39 0.00 0.00 64.86 61.19 2bnp h ILE 6 Cb 1.25 2.36 -0.24 0.00 -3.07 0.00 0.00 36.82 37.12 2bnp h ILE 6 CO 0.40 0.46 -0.83 -0.36 -0.69 0.00 0.00 178.15 177.12 2bnp s PHE 7 N -2.40 2.47 0.31 1.37 0.08 -1.26 -4.83 117.98 113.71 2bnp s PHE 7 Ca -0.27 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.18 2bnp s PHE 7 Cb 0.05 -1.45 -0.10 0.00 -0.57 0.00 0.00 43.02 40.95 2bnp s PHE 7 CO 0.64 0.18 1.23 -1.12 -0.10 0.00 0.00 175.22 176.06 2bnp s SER 8 N -1.26 6.96 0.02 1.36 0.01 -0.03 -4.97 113.70 115.79 2bnp s SER 8 Ca 0.13 2.52 -0.19 0.00 1.31 0.00 0.00 55.95 59.72 2bnp s SER 8 Cb -0.10 -2.64 -0.21 0.00 0.21 0.00 0.00 66.02 63.27 2bnp s SER 8 CO 0.03 -0.39 1.15 1.56 0.41 0.00 0.00 173.24 176.00 2bnp h GLN 9 N 3.63 0.44 -3.70 12.44 4.20 -1.98 -3.45 115.11 126.68 2bnp h GLN 9 Ca -0.48 -0.42 -0.41 0.00 0.06 0.00 0.00 58.65 57.41 2bnp h GLN 9 Cb 1.22 0.11 -0.37 0.00 0.30 0.00 0.00 27.48 28.74 2bnp h GLN 9 CO 0.66 1.07 -0.76 0.54 -0.67 0.00 0.00 178.83 179.67 2bnp s VAL 10 N -3.39 0.30 0.54 -0.54 0.11 -1.26 -5.15 120.40 111.01 2bnp s VAL 10 Ca -0.13 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 2bnp s VAL 10 Cb 0.04 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2bnp s VAL 10 CO 0.82 0.22 0.88 -1.10 -3.33 0.00 0.00 175.10 172.59 2bnp s GLN 11 N 1.66 3.47 -0.07 1.54 -0.21 -1.26 -5.09 119.66 119.69 2bnp s GLN 11 Ca -0.00 0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 2bnp s GLN 11 Cb -0.13 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.66 2bnp s GLN 11 CO -0.04 -0.40 0.14 0.08 -2.12 0.00 0.00 175.29 172.96 2bnp s VAL 12 N -2.92 -0.18 -0.04 1.09 1.01 -1.26 -5.15 120.40 112.94 2bnp s VAL 12 Ca 0.51 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2bnp s VAL 12 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2bnp s VAL 12 CO 0.48 0.13 -0.17 -0.60 0.00 0.00 0.00 175.10 174.94 2bnp s ARG 13 N 1.94 2.41 0.11 2.72 3.52 -1.26 -5.01 118.95 123.37 2bnp s ARG 13 Ca -0.00 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2bnp s ARG 13 Cb -0.12 -2.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2bnp s ARG 13 CO -0.05 0.61 0.11 0.41 -0.81 0.00 0.00 175.30 175.57 2bnp n GLY 14 N 2.32 3.36 3.64 8.12 0.00 -1.26 -5.11 105.19 116.27 2bnp n GLY 14 Ca -0.17 -1.63 -0.51 0.00 0.00 0.00 0.00 46.02 43.71 2bnp n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bnp n PRO 15 N -0.20 1.53 -1.75 1.61 -0.02 -1.26 -4.89 135.00 130.03 2bnp n PRO 15 Ca 0.02 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 2bnp n PRO 15 Cb 0.19 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.42 2bnp n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bnp n ALA 16 N 3.50 1.89 -2.65 3.55 0.00 -1.26 -4.96 120.51 120.58 2bnp n ALA 16 Ca 0.19 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 2bnp n ALA 16 Cb 0.22 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 2bnp n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bnp s ASP 17 N -0.37 6.98 0.40 0.00 -1.08 -1.26 -4.90 116.67 116.43 2bnp s ASP 17 Ca 0.58 1.18 0.25 0.00 -0.52 0.00 0.00 52.55 54.04 2bnp s ASP 17 Cb -0.48 -2.51 0.55 0.00 -1.46 0.00 0.00 42.92 39.01 2bnp s ASP 17 CO 0.60 -0.69 1.68 -0.07 0.52 0.00 0.00 175.17 177.21 2bnp h LEU 18 N 9.56 0.00 0.00 -1.34 3.38 -1.95 -3.44 115.31 121.52 2bnp h LEU 18 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2bnp h LEU 18 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2bnp h LEU 18 CO 0.97 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.11 2bnp n GLY 19 N 1.03 0.23 3.72 0.83 0.00 -1.26 -4.91 105.19 104.83 2bnp n GLY 19 Ca 0.04 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2bnp n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bnp s MET 20 N -1.49 4.49 -0.03 1.61 -1.94 -1.26 -4.97 119.30 115.71 2bnp s MET 20 Ca 0.00 1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 55.64 2bnp s MET 20 Cb 0.00 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.47 2bnp s MET 20 CO 0.00 -0.14 0.25 1.15 -0.01 0.00 0.00 175.02 176.27 2bnp h THR 21 N 4.38 0.00 0.00 2.05 2.02 -1.93 -3.46 112.91 115.97 2bnp h THR 21 Ca -0.42 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2bnp h THR 21 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2bnp h THR 21 CO 0.78 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.88 2bnp n GLU 22 N -3.36 0.00 -0.55 6.66 4.07 -1.26 -0.95 120.64 125.25 2bnp n GLU 22 Ca -0.02 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.16 2bnp n GLU 22 Cb 0.05 0.00 0.30 0.00 -0.06 0.00 0.00 31.44 31.73 2bnp n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2bnp n ASP 23 N 2.45 4.16 -4.72 4.31 8.00 -0.36 -4.94 116.55 125.45 2bnp n ASP 23 Ca 0.00 -2.42 -0.42 0.00 0.71 0.00 0.00 54.79 52.66 2bnp n ASP 23 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2bnp n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bnp s VAL 24 N -1.88 3.02 -0.83 2.53 1.01 -0.13 -4.85 120.40 119.28 2bnp s VAL 24 Ca 0.43 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 2bnp s VAL 24 Cb 0.28 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2bnp s VAL 24 CO 0.20 0.07 1.71 0.21 0.00 0.00 0.00 175.10 177.28 2bnp s ASN 25 N 0.95 5.64 0.36 3.32 2.47 -1.26 -4.90 114.94 121.52 2bnp s ASN 25 Ca 0.65 -0.55 0.18 0.00 0.42 0.00 0.00 52.86 53.56 2bnp s ASN 25 Cb -0.39 -2.55 1.00 0.00 -1.45 0.00 0.00 41.25 37.86 2bnp s ASN 25 CO 0.33 -2.23 1.51 -0.07 -3.72 0.00 0.00 177.10 172.92 2bnp h LEU 26 N 15.58 0.00 -2.11 3.21 4.07 -1.94 -2.34 115.31 131.77 2bnp h LEU 26 Ca -0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.95 2bnp h LEU 26 Cb 1.05 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 2bnp h LEU 26 CO 1.27 0.00 0.06 0.00 -1.08 0.00 0.00 178.44 178.69 2bnp h ALA 27 N 1.54 1.95 -0.10 1.53 0.00 -2.02 -2.30 119.26 119.86 2bnp h ALA 27 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bnp h ALA 27 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bnp h ALA 27 CO 0.00 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.24 2bnp n ASN 28 N -4.32 2.89 -4.71 0.00 3.02 -0.88 -4.90 115.26 106.35 2bnp n ASN 28 Ca -0.01 -1.90 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2bnp n ASN 28 Cb 0.16 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 2bnp n ASN 28 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2bnp s ARG 29 N -1.68 4.45 1.07 3.52 6.06 -0.87 -1.56 118.95 129.94 2bnp s ARG 29 Ca 0.27 1.06 -0.17 0.00 -2.50 0.00 0.00 55.73 54.39 2bnp s ARG 29 Cb 0.18 -3.47 0.24 0.00 0.06 0.00 0.00 34.95 31.96 2bnp s ARG 29 CO 0.27 -0.03 1.22 -1.54 -2.50 0.00 0.00 175.30 172.72 2bnp s SER 30 N 0.92 2.15 0.87 -2.12 1.04 -0.45 -5.00 113.70 111.10 2bnp s SER 30 Ca 0.42 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 57.17 2bnp s SER 30 Cb -0.18 -0.59 0.11 0.00 0.10 0.00 0.00 66.02 65.46 2bnp s SER 30 CO 0.20 -3.34 1.11 -0.83 0.98 0.00 0.00 173.24 171.35 2bnp s GLY 31 N -4.43 1.60 0.15 7.32 0.00 -1.26 -4.66 107.32 106.04 2bnp s GLY 31 Ca 0.72 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 2bnp s GLY 31 CO 0.54 0.22 1.18 0.14 0.00 0.00 0.00 173.10 175.19 2bnp s VAL 32 N -3.12 3.74 0.83 1.40 1.01 -1.26 -4.29 120.40 118.72 2bnp s VAL 32 Ca 0.63 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 2bnp s VAL 32 Cb -0.16 -3.90 0.19 0.00 0.00 0.00 0.00 36.38 32.51 2bnp s VAL 32 CO 0.55 0.20 1.14 0.61 0.00 0.00 0.00 175.10 177.59 2bnp n GLY 33 N 2.44 -0.98 3.95 4.51 0.00 0.20 -4.95 105.19 110.36 2bnp n GLY 33 Ca 0.05 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 2bnp n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bnp s PRO 34 N -5.45 1.05 -0.03 1.61 0.04 -1.26 -4.37 135.00 126.58 2bnp s PRO 34 Ca 0.66 -0.66 -0.05 0.00 0.04 0.00 0.00 61.00 60.99 2bnp s PRO 34 Cb -0.02 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2bnp s PRO 34 CO 0.46 -2.04 0.20 -0.06 0.04 0.00 0.00 177.00 175.60 2bnp s PHE 35 N -3.61 3.57 -0.33 0.56 0.40 -1.26 -2.24 117.98 115.07 2bnp s PHE 35 Ca 0.71 0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 57.48 2bnp s PHE 35 Cb -0.04 -1.91 0.07 0.00 0.51 0.00 0.00 43.02 41.64 2bnp s PHE 35 CO 0.50 0.66 0.07 0.45 0.70 0.00 0.00 175.22 177.59 2bnp s SER 36 N -1.64 5.03 0.41 1.36 0.15 -0.25 -4.95 113.70 113.82 2bnp s SER 36 Ca 0.24 -1.47 0.11 0.00 0.70 0.00 0.00 55.95 55.53 2bnp s SER 36 Cb -0.13 -1.76 0.88 0.00 -1.71 0.00 0.00 66.02 63.30 2bnp s SER 36 CO 0.14 -0.34 1.97 0.74 1.20 0.00 0.00 173.24 176.95 2bnp h THR 37 N 6.41 1.14 -0.10 6.45 2.02 -1.97 -0.01 112.91 126.85 2bnp h THR 37 Ca -0.19 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2bnp h THR 37 Cb 1.06 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2bnp h THR 37 CO 0.58 0.19 0.02 0.25 0.37 0.00 0.00 175.52 176.93 2bnp h LEU 38 N 0.21 0.16 -1.20 2.58 5.85 -1.98 -2.88 115.31 118.04 2bnp h LEU 38 Ca 0.05 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 2bnp h LEU 38 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2bnp h LEU 38 CO 0.01 0.36 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.25 2bnp h LEU 39 N -0.05 0.35 -1.95 2.25 3.38 -1.80 -3.17 115.31 114.32 2bnp h LEU 39 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bnp h LEU 39 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bnp h LEU 39 CO 0.00 0.53 -0.06 1.23 0.09 0.00 0.00 178.44 180.24 2bnp h GLY 40 N 0.88 0.00 1.84 0.83 0.00 -0.80 0.80 103.07 106.62 2bnp h GLY 40 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.40 2bnp h GLY 40 CO 0.03 0.00 0.09 1.49 0.00 0.00 0.00 176.54 178.14 2bnp h TRP 41 N 0.00 0.12 0.00 5.60 4.06 -1.49 -3.35 115.95 120.89 2bnp h TRP 41 Ca -0.00 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.70 2bnp h TRP 41 Cb 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 2bnp h TRP 41 CO 0.00 0.07 -1.93 0.34 -3.56 0.00 0.00 178.44 173.36 2bnp n PHE 42 N -4.52 0.00 -1.87 0.49 7.35 -0.64 -0.85 117.46 117.42 2bnp n PHE 42 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2bnp n PHE 42 Cb 0.12 -0.63 0.00 0.00 0.35 0.00 0.00 39.48 39.32 2bnp n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2bnp n GLY 43 N 2.69 5.27 3.77 7.13 0.00 0.18 -4.92 105.19 119.32 2bnp n GLY 43 Ca -0.29 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2bnp n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bnp s ASN 44 N 1.09 5.71 0.02 1.61 0.01 -1.26 -4.00 114.94 118.11 2bnp s ASN 44 Ca 0.00 2.19 0.07 0.00 -0.71 0.00 0.00 52.86 54.40 2bnp s ASN 44 Cb 0.00 -2.58 -0.24 0.00 0.41 0.00 0.00 41.25 38.84 2bnp s ASN 44 CO 0.00 -1.23 0.89 0.00 -1.51 0.00 0.00 177.10 175.25 2bnp h ALA 45 N 1.19 0.52 -2.80 0.60 0.00 -1.84 -3.34 119.26 113.59 2bnp h ALA 45 Ca -0.50 -1.21 -0.53 0.00 0.00 0.00 0.00 54.91 52.67 2bnp h ALA 45 Cb 1.26 0.25 0.07 0.00 0.00 0.00 0.00 17.79 19.37 2bnp h ALA 45 CO 0.57 1.38 0.75 -1.14 0.00 0.00 0.00 179.25 180.80 2bnp s GLN 46 N -2.64 4.25 -0.18 0.00 0.74 -1.26 -1.09 119.66 119.49 2bnp s GLN 46 Ca -0.04 2.34 -0.03 0.00 0.05 0.00 0.00 55.36 57.67 2bnp s GLN 46 Cb 0.08 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 2bnp s GLN 46 CO 0.83 -0.40 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.60 2bnp s LEU 47 N -0.91 3.02 0.00 3.68 1.02 -0.95 -4.92 118.68 119.61 2bnp s LEU 47 Ca 0.57 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.45 2bnp s LEU 47 Cb -0.42 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.05 2bnp s LEU 47 CO 0.48 0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.56 2bnp n GLY 48 N 4.03 -1.98 3.69 -3.19 0.00 -1.26 -0.63 105.19 105.85 2bnp n GLY 48 Ca -0.18 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 2bnp n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bnp s PRO 49 N -0.39 -0.07 0.16 1.61 0.04 -1.26 -4.63 135.00 130.47 2bnp s PRO 49 Ca 0.00 0.15 0.10 0.00 0.04 0.00 0.00 61.00 61.29 2bnp s PRO 49 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2bnp s PRO 49 CO 0.00 -2.99 -0.23 -1.50 0.04 0.00 0.00 177.00 172.33 2bnp s ILE 50 N -3.13 2.12 -0.14 0.56 2.07 -1.26 -4.96 121.20 116.45 2bnp s ILE 50 Ca 0.68 -1.89 -0.11 0.00 -1.41 0.00 0.00 60.65 57.92 2bnp s ILE 50 Cb -0.13 -1.95 -0.05 0.00 0.13 0.00 0.00 42.46 40.46 2bnp s ILE 50 CO 0.56 -0.12 0.23 -0.47 -1.91 0.00 0.00 174.94 173.23 2bnp s TYR 51 N -1.58 3.51 -0.36 3.50 6.14 -1.26 -1.34 117.35 125.96 2bnp s TYR 51 Ca 0.16 0.56 0.00 0.00 0.64 0.00 0.00 57.07 58.43 2bnp s TYR 51 Cb -0.08 -2.19 0.14 0.00 0.42 0.00 0.00 41.96 40.25 2bnp s TYR 51 CO 0.08 0.42 0.21 -0.51 0.64 0.00 0.00 175.55 176.39 2bnp s LEU 52 N -0.10 1.07 0.00 6.97 1.43 -0.60 -4.98 118.68 122.46 2bnp s LEU 52 Ca 0.15 -2.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 2bnp s LEU 52 Cb -0.13 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2bnp s LEU 52 CO 0.04 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2bnp n GLY 53 N 4.00 0.74 0.37 -3.19 0.00 -1.26 -4.81 105.19 101.03 2bnp n GLY 53 Ca 0.12 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2bnp n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bnp h SER 54 N 0.00 1.01 0.46 1.61 0.02 -2.00 -2.64 113.55 112.01 2bnp h SER 54 Ca 0.00 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 2bnp h SER 54 Cb 0.00 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 2bnp h SER 54 CO 0.00 0.71 -0.95 0.25 -1.14 0.00 0.00 176.83 175.70 2bnp h LEU 55 N 1.18 0.42 -0.73 5.07 5.85 -1.93 -2.93 115.31 122.24 2bnp h LEU 55 Ca 0.35 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2bnp h LEU 55 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2bnp h LEU 55 CO -0.09 1.16 -0.24 1.23 -0.34 0.00 0.00 178.44 180.16 2bnp h GLY 56 N 1.51 0.78 1.25 3.75 0.00 -1.82 -2.20 103.07 106.34 2bnp h GLY 56 Ca -0.07 -0.67 -0.24 0.00 0.00 0.00 0.00 47.33 46.35 2bnp h GLY 56 CO 0.16 0.61 -0.91 -2.08 0.00 0.00 0.00 176.54 174.32 2bnp h VAL 57 N 0.63 1.29 -0.61 4.60 2.07 -1.55 -0.58 116.25 122.10 2bnp h VAL 57 Ca 0.09 -2.14 0.10 0.00 0.82 0.00 0.00 66.70 65.56 2bnp h VAL 57 Cb 0.73 2.20 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 2bnp h VAL 57 CO 0.06 0.67 0.22 0.25 0.02 0.00 0.00 177.57 178.79 2bnp h LEU 58 N 0.44 0.21 -0.37 2.57 5.85 -1.53 0.98 115.31 123.45 2bnp h LEU 58 Ca -0.09 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2bnp h LEU 58 Cb 1.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2bnp h LEU 58 CO 0.18 0.12 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.07 2bnp h SER 59 N 0.40 0.69 -0.68 1.25 0.87 -1.24 -0.64 113.55 114.19 2bnp h SER 59 Ca 0.31 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2bnp h SER 59 Cb 0.40 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2bnp h SER 59 CO -0.32 0.87 0.33 0.25 -0.53 0.00 0.00 176.83 177.43 2bnp h LEU 60 N 0.50 0.90 -0.32 2.23 6.46 -0.88 0.59 115.31 124.78 2bnp h LEU 60 Ca 0.10 -0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.56 2bnp h LEU 60 Cb 0.55 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2bnp h LEU 60 CO 0.03 0.78 -0.43 0.15 -0.62 0.00 0.00 178.44 178.35 2bnp h PHE 61 N 0.95 1.06 -0.16 1.25 3.57 -0.57 -1.21 116.94 121.84 2bnp h PHE 61 Ca 0.23 -0.34 -0.17 0.00 3.53 0.00 0.00 57.97 61.22 2bnp h PHE 61 Cb 0.12 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2bnp h PHE 61 CO 0.01 1.16 -0.60 0.77 -2.23 0.00 0.00 178.31 177.42 2bnp h SER 62 N 0.65 0.58 -0.13 0.41 0.02 -1.07 -1.71 113.55 112.31 2bnp h SER 62 Ca 0.04 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 2bnp h SER 62 Cb 1.03 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2bnp h SER 62 CO 0.10 1.05 -0.13 1.23 -1.14 0.00 0.00 176.83 177.93 2bnp h GLY 63 N 1.11 0.53 1.33 -3.77 0.00 -0.79 -1.87 103.07 99.61 2bnp h GLY 63 Ca -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 2bnp h GLY 63 CO 0.11 0.35 -0.86 1.41 0.00 0.00 0.00 176.54 177.54 2bnp h LEU 64 N 0.46 0.78 -1.42 3.11 3.38 -1.13 -2.57 115.31 117.91 2bnp h LEU 64 Ca 0.08 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2bnp h LEU 64 Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2bnp h LEU 64 CO 0.03 1.35 -0.19 0.24 0.09 0.00 0.00 178.44 179.96 2bnp h MET 65 N 0.41 0.14 -0.13 1.13 2.86 -1.16 0.32 114.93 118.50 2bnp h MET 65 Ca -0.07 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2bnp h MET 65 Cb 1.49 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 2bnp h MET 65 CO 0.17 0.33 -0.00 2.35 1.06 0.00 0.00 176.91 180.82 2bnp h TRP 66 N 0.14 0.25 -0.55 -0.22 7.01 -1.29 -1.43 115.95 119.86 2bnp h TRP 66 Ca 0.03 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 2bnp h TRP 66 Cb 0.41 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2bnp h TRP 66 CO 0.00 0.47 -0.02 0.35 -2.79 0.00 0.00 178.44 176.45 2bnp h PHE 67 N -0.04 1.03 0.00 2.65 3.57 -0.98 -1.62 116.94 121.55 2bnp h PHE 67 Ca 0.04 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2bnp h PHE 67 Cb 0.37 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2bnp h PHE 67 CO 0.03 0.93 -0.02 0.74 -2.23 0.00 0.00 178.31 177.76 2bnp h PHE 68 N 0.87 0.00 0.17 0.41 -1.00 -0.38 0.18 116.94 117.20 2bnp h PHE 68 Ca 0.16 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.66 2bnp h PHE 68 Cb 0.53 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.11 2bnp h PHE 68 CO 0.03 0.02 -1.29 1.15 -1.61 0.00 0.00 178.31 176.62 2bnp h THR 69 N 0.00 1.23 -0.52 -1.55 2.02 -1.04 -1.41 112.91 111.63 2bnp h THR 69 Ca -0.00 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 64.59 2bnp h THR 69 Cb 0.93 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 2bnp h THR 69 CO 0.00 0.76 0.12 0.40 0.37 0.00 0.00 175.52 177.17 2bnp h ILE 70 N -0.15 1.24 -0.68 3.11 2.04 -1.26 -2.84 117.51 118.96 2bnp h ILE 70 Ca -0.25 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 2bnp h ILE 70 Cb 1.88 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2bnp h ILE 70 CO 0.16 0.32 0.17 1.23 0.00 0.00 0.00 178.15 180.03 2bnp h GLY 71 N 0.72 1.17 1.94 5.37 0.00 -1.03 -1.40 103.07 109.84 2bnp h GLY 71 Ca 0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2bnp h GLY 71 CO 0.00 0.68 -0.51 1.19 0.00 0.00 0.00 176.54 177.90 2bnp h ILE 72 N 1.01 1.36 -0.02 2.60 2.10 -1.22 -2.14 117.51 121.20 2bnp h ILE 72 Ca 0.21 -1.74 -0.19 0.00 1.08 0.00 0.00 64.86 64.22 2bnp h ILE 72 Cb 0.36 1.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 2bnp h ILE 72 CO 0.00 0.50 -0.81 -0.25 -1.08 0.00 0.00 178.15 176.51 2bnp h TRP 73 N 0.05 0.36 -0.38 2.19 2.91 -1.28 -2.66 115.95 117.14 2bnp h TRP 73 Ca -0.00 -0.18 -0.14 0.00 1.13 0.00 0.00 58.89 59.69 2bnp h TRP 73 Cb 0.91 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 2bnp h TRP 73 CO 0.00 0.96 -0.33 0.74 -1.03 0.00 0.00 178.44 178.78 2bnp h PHE 74 N 0.15 1.01 -0.56 2.65 -1.00 -1.01 -1.16 116.94 117.02 2bnp h PHE 74 Ca -0.04 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.42 2bnp h PHE 74 Cb 1.41 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.73 2bnp h PHE 74 CO 0.03 1.07 0.20 -1.49 -1.61 0.00 0.00 178.31 176.51 2bnp h TRP 75 N 0.72 0.88 -0.18 -0.55 4.06 -1.39 -1.92 115.95 117.56 2bnp h TRP 75 Ca 0.07 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2bnp h TRP 75 Cb 0.89 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 2bnp h TRP 75 CO 0.05 0.73 -0.27 -0.92 -3.56 0.00 0.00 178.44 174.47 2bnp h TYR 76 N 0.77 0.39 0.00 0.49 3.20 -1.26 -1.41 116.97 119.15 2bnp h TYR 76 Ca 0.18 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2bnp h TYR 76 Cb 0.25 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2bnp h TYR 76 CO 0.01 0.59 -0.38 1.96 -1.64 0.00 0.00 178.16 178.70 2bnp h GLN 77 N 0.31 0.00 -0.00 1.82 4.20 -1.05 -2.75 115.11 117.64 2bnp h GLN 77 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2bnp h GLN 77 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2bnp h GLN 77 CO 0.05 0.38 -0.11 0.00 -0.67 0.00 0.00 178.83 178.48 2bnp n ALA 78 N -2.34 2.59 -2.81 3.87 0.00 -0.61 -4.93 120.51 116.28 2bnp n ALA 78 Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 2bnp n ALA 78 Cb 0.48 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.57 2bnp n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnp n GLY 79 N 1.49 -0.15 2.38 0.00 0.00 -0.79 -3.33 105.19 104.79 2bnp n GLY 79 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2bnp n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bnp n TRP 80 N -4.14 -0.26 -3.65 1.61 7.02 -0.72 -4.96 117.44 112.34 2bnp n TRP 80 Ca -0.08 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.01 2bnp n TRP 80 Cb 0.58 -2.82 -0.11 0.00 -2.42 0.00 0.00 31.31 26.54 2bnp n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2bnp s ASN 81 N -2.66 5.58 0.33 -0.99 3.84 -1.21 -4.99 114.94 114.84 2bnp s ASN 81 Ca 0.00 -1.18 0.01 0.00 0.21 0.00 0.00 52.86 51.89 2bnp s ASN 81 Cb 0.00 -1.96 0.56 0.00 -0.55 0.00 0.00 41.25 39.30 2bnp s ASN 81 CO 0.00 -0.41 1.99 -0.65 -2.79 0.00 0.00 177.10 175.24 2bnp h PRO 82 N 8.36 0.91 -0.42 0.43 0.11 -1.93 -0.67 132.00 138.79 2bnp h PRO 82 Ca -0.24 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 2bnp h PRO 82 Cb 1.09 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2bnp h PRO 82 CO 0.67 0.62 0.19 0.00 -0.21 0.00 0.00 178.00 179.27 2bnp h ALA 83 N 1.55 0.54 -0.01 -0.75 0.00 -1.98 -2.62 119.26 115.99 2bnp h ALA 83 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2bnp h ALA 83 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bnp h ALA 83 CO -0.05 0.11 -0.29 0.28 0.00 0.00 0.00 179.25 179.30 2bnp h VAL 84 N 0.53 1.21 0.16 0.00 2.07 -1.71 -2.50 116.25 116.01 2bnp h VAL 84 Ca 0.14 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2bnp h VAL 84 Cb 0.14 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2bnp h VAL 84 CO -0.02 0.29 -0.08 0.15 0.02 0.00 0.00 177.57 177.94 2bnp h PHE 85 N 0.01 -0.20 -0.55 1.57 3.57 -0.89 -2.03 116.94 118.42 2bnp h PHE 85 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2bnp h PHE 85 Cb 0.52 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2bnp h PHE 85 CO 0.00 -0.04 0.04 -0.07 -2.23 0.00 0.00 178.31 176.01 2bnp h LEU 86 N -0.31 0.91 -0.70 0.59 3.38 -1.35 -2.03 115.31 115.80 2bnp h LEU 86 Ca -0.02 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2bnp h LEU 86 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2bnp h LEU 86 CO 0.04 0.97 -0.08 0.08 0.09 0.00 0.00 178.44 179.53 2bnp h ARG 87 N 0.82 0.91 -0.28 1.13 0.11 -1.34 -3.17 114.38 112.57 2bnp h ARG 87 Ca 0.16 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2bnp h ARG 87 Cb 0.48 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2bnp h ARG 87 CO 0.02 0.96 0.00 -0.25 0.10 0.00 0.00 179.97 180.80 2bnp n ASP 88 N -4.16 3.94 -0.32 0.08 8.00 -0.78 -4.68 116.55 118.64 2bnp n ASP 88 Ca 0.02 -2.99 0.07 0.00 0.71 0.00 0.00 54.79 52.59 2bnp n ASP 88 Cb 0.37 -0.54 0.22 0.00 -0.02 0.00 0.00 41.12 41.15 2bnp n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2bnp h LEU 89 N 1.90 0.70 0.00 0.64 5.85 -1.34 -0.33 115.31 122.73 2bnp h LEU 89 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2bnp h LEU 89 Cb 1.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.42 2bnp h LEU 89 CO 0.23 0.34 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.38 2bnp h PHE 90 N 0.77 0.00 0.00 1.25 -1.00 -1.86 -3.26 116.94 112.85 2bnp h PHE 90 Ca 0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2bnp h PHE 90 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2bnp h PHE 90 CO -0.05 0.00 -1.43 1.19 -1.61 0.00 0.00 178.31 176.41 2bnp n PHE 91 N -2.29 0.16 -2.03 -0.55 3.01 -0.22 -1.44 117.46 114.11 2bnp n PHE 91 Ca 0.05 0.05 -0.36 0.00 1.01 0.00 0.00 57.45 58.20 2bnp n PHE 91 Cb 0.44 -0.42 0.03 0.00 -0.01 0.00 0.00 39.48 39.51 2bnp n PHE 91 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2bnp s PHE 92 N -3.31 2.40 -0.19 1.38 0.08 -0.70 -4.84 117.98 112.81 2bnp s PHE 92 Ca -0.01 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.48 2bnp s PHE 92 Cb 0.14 -3.47 0.08 0.00 -0.57 0.00 0.00 43.02 39.20 2bnp s PHE 92 CO 0.86 -2.18 0.41 0.45 -0.10 0.00 0.00 175.22 174.66 2bnp s SER 93 N -1.60 -0.34 -0.75 1.36 0.15 -1.26 -4.34 113.70 106.93 2bnp s SER 93 Ca 0.77 0.94 -0.24 0.00 0.70 0.00 0.00 55.95 58.13 2bnp s SER 93 Cb -0.30 1.10 0.06 0.00 -1.71 0.00 0.00 66.02 65.17 2bnp s SER 93 CO 0.33 -0.22 1.15 -0.22 1.20 0.00 0.00 173.24 175.48 2bnp s LEU 94 N 2.13 3.86 0.34 3.45 0.20 -0.69 -4.92 118.68 123.05 2bnp s LEU 94 Ca -0.05 -0.90 -0.15 0.00 0.69 0.00 0.00 54.13 53.73 2bnp s LEU 94 Cb -0.11 -2.49 -0.09 0.00 -0.43 0.00 0.00 46.19 43.08 2bnp s LEU 94 CO -0.13 -1.58 0.75 -1.61 -0.29 0.00 0.00 176.35 173.49 2bnp s GLU 95 N 4.72 3.98 1.11 1.98 0.41 -1.26 -1.17 118.70 128.47 2bnp s GLU 95 Ca 0.30 0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 55.37 2bnp s GLU 95 Cb -0.11 -2.41 0.24 0.00 -1.78 0.00 0.00 34.13 30.07 2bnp s GLU 95 CO 0.09 0.12 1.12 -1.25 -0.49 0.00 0.00 175.26 174.85 2bnp s PRO 96 N -3.11 -0.44 0.74 0.39 0.04 -1.26 -4.31 135.00 127.05 2bnp s PRO 96 Ca 0.54 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.54 2bnp s PRO 96 Cb -0.10 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.80 2bnp s PRO 96 CO 0.19 -3.23 1.13 -2.30 0.04 0.00 0.00 177.00 172.83 2bnp n PRO 97 N -4.45 0.50 -1.26 0.56 -0.02 -1.26 -4.54 135.00 124.54 2bnp n PRO 97 Ca 0.10 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 2bnp n PRO 97 Cb 0.59 -2.37 0.16 0.00 -0.02 0.00 0.00 33.50 31.85 2bnp n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bnp s ALA 98 N -1.85 1.29 0.44 3.55 0.00 -1.26 -3.20 121.76 120.73 2bnp s ALA 98 Ca 0.75 -0.31 0.14 0.00 0.00 0.00 0.00 51.96 52.54 2bnp s ALA 98 Cb -0.33 -3.12 0.98 0.00 0.00 0.00 0.00 23.12 20.65 2bnp s ALA 98 CO 0.48 -2.57 1.98 -1.35 0.00 0.00 0.00 175.76 174.30 2bnp h PRO 99 N -1.71 0.01 -1.07 0.00 0.11 -1.94 -2.91 132.00 124.49 2bnp h PRO 99 Ca -0.52 -0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.87 2bnp h PRO 99 Cb 1.32 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.32 2bnp h PRO 99 CO 0.58 0.20 0.68 1.05 -0.21 0.00 0.00 178.00 180.29 2bnp h GLU 100 N 0.01 0.36 -0.00 1.05 4.11 -2.00 -1.01 114.58 117.09 2bnp h GLU 100 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2bnp h GLU 100 Cb 0.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bnp h GLU 100 CO 0.03 0.24 -0.13 0.66 0.07 0.00 0.00 179.01 179.87 2bnp n TYR 101 N -4.69 0.00 -0.69 2.06 4.01 -1.10 -5.00 117.16 111.75 2bnp n TYR 101 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 2bnp n TYR 101 Cb 0.94 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 2bnp n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bnp n GLY 102 N 1.36 3.01 2.13 2.72 0.00 -0.39 -1.82 105.19 112.21 2bnp n GLY 102 Ca 0.11 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2bnp n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bnp n LEU 103 N 0.00 6.46 -4.83 0.99 4.77 -1.18 -2.07 117.00 121.14 2bnp n LEU 103 Ca 0.00 -3.43 -0.36 0.00 -0.03 0.00 0.00 56.01 52.18 2bnp n LEU 103 Cb 0.00 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 2bnp n LEU 103 CO 0.00 0.98 0.31 -0.55 -1.33 0.00 0.00 177.39 176.80 2bnp s SER 104 N -1.14 6.96 -0.14 -1.43 0.15 -0.75 -4.96 113.70 112.39 2bnp s SER 104 Ca 0.54 1.24 0.07 0.00 0.70 0.00 0.00 55.95 58.49 2bnp s SER 104 Cb 0.45 -2.35 0.42 0.00 -1.71 0.00 0.00 66.02 62.83 2bnp s SER 104 CO 0.11 0.12 1.18 0.49 1.20 0.00 0.00 173.24 176.34 2bnp n PHE 105 N 0.98 1.14 -0.39 3.44 3.72 -1.26 -4.36 117.46 120.73 2bnp n PHE 105 Ca -0.05 -0.47 0.10 0.00 -0.05 0.00 0.00 57.45 56.97 2bnp n PHE 105 Cb 0.51 -0.35 0.29 0.00 -0.94 0.00 0.00 39.48 38.99 2bnp n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bnp n ALA 106 N 0.24 2.47 -1.91 4.37 0.00 -1.26 -4.95 120.51 119.47 2bnp n ALA 106 Ca 0.16 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.85 2bnp n ALA 106 Cb 0.79 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 2bnp n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnp s ALA 107 N -1.19 3.40 0.70 0.00 0.00 -1.26 -5.01 121.76 118.40 2bnp s ALA 107 Ca 0.44 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 2bnp s ALA 107 Cb 0.24 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2bnp s ALA 107 CO 0.27 -0.20 1.25 -2.14 0.00 0.00 0.00 175.76 174.94 2bnp s PRO 108 N -0.88 2.25 0.22 0.00 0.02 -1.26 -4.08 135.00 131.27 2bnp s PRO 108 Ca 0.47 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 63.29 2bnp s PRO 108 Cb -0.31 -1.83 0.28 0.00 0.02 0.00 0.00 34.50 32.66 2bnp s PRO 108 CO 0.38 -1.79 1.64 -0.07 -0.33 0.00 0.00 177.00 176.83 2bnp h LEU 109 N 0.02 -0.47 -0.23 -5.54 3.38 -1.95 -1.93 115.31 108.59 2bnp h LEU 109 Ca -0.49 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2bnp h LEU 109 Cb 1.32 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2bnp h LEU 109 CO 0.51 -0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.15 2bnp n LYS 110 N -5.38 0.20 -2.65 1.13 5.02 -1.26 -2.54 118.16 112.68 2bnp n LYS 110 Ca 0.09 0.27 -0.25 0.00 -2.02 0.00 0.00 58.31 56.40 2bnp n LYS 110 Cb 0.36 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2bnp n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2bnp n GLU 111 N -2.14 3.03 0.00 1.97 1.02 -0.76 -4.93 120.64 118.84 2bnp n GLU 111 Ca 0.04 -4.42 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 2bnp n GLU 111 Cb 0.34 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2bnp n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bnp n GLY 112 N -0.34 1.27 0.23 0.62 0.00 -1.23 -4.34 105.19 101.39 2bnp n GLY 112 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 2bnp n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bnp h GLY 113 N 0.00 0.70 2.00 -0.02 0.00 -1.50 -2.73 103.07 101.53 2bnp h GLY 113 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2bnp h GLY 113 CO 0.00 0.65 -0.33 -2.00 0.00 0.00 0.00 176.54 174.86 2bnp h LEU 114 N 0.53 0.00 -0.62 3.11 5.85 -1.74 -2.11 115.31 120.33 2bnp h LEU 114 Ca 0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2bnp h LEU 114 Cb 0.94 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2bnp h LEU 114 CO 0.08 0.33 0.11 -0.25 -0.34 0.00 0.00 178.44 178.37 2bnp h TRP 115 N 0.00 1.09 -0.39 1.25 7.01 -1.73 -0.85 115.95 122.33 2bnp h TRP 115 Ca -0.00 -0.15 -0.09 0.00 2.11 0.00 0.00 58.89 60.76 2bnp h TRP 115 Cb 0.61 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 2bnp h TRP 115 CO 0.00 0.93 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.39 2bnp h LEU 116 N 0.94 0.68 -0.30 0.65 3.38 -1.16 0.21 115.31 119.71 2bnp h LEU 116 Ca 0.19 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2bnp h LEU 116 Cb 0.42 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bnp h LEU 116 CO 0.01 0.83 -0.39 0.40 0.09 0.00 0.00 178.44 179.38 2bnp h ILE 117 N 0.63 1.29 -0.32 1.22 2.04 -1.23 -1.32 117.51 119.82 2bnp h ILE 117 Ca 0.11 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.41 2bnp h ILE 117 Cb 0.56 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2bnp h ILE 117 CO 0.04 0.51 0.18 0.00 0.00 0.00 0.00 178.15 178.87 2bnp h ALA 118 N 0.70 0.40 -0.42 1.87 0.00 -0.95 -2.54 119.26 118.32 2bnp h ALA 118 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2bnp h ALA 118 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2bnp h ALA 118 CO 0.09 -0.19 0.10 0.77 0.00 0.00 0.00 179.25 180.03 2bnp h SER 119 N 0.37 0.57 0.18 0.00 0.02 -0.80 -0.98 113.55 112.91 2bnp h SER 119 Ca 0.13 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2bnp h SER 119 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2bnp h SER 119 CO -0.07 0.57 -0.09 0.15 -1.14 0.00 0.00 176.83 176.25 2bnp h PHE 120 N 0.61 -0.23 -0.75 3.45 3.57 -0.97 -0.78 116.94 121.84 2bnp h PHE 120 Ca 0.14 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2bnp h PHE 120 Cb 0.23 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2bnp h PHE 120 CO 0.01 -0.11 0.34 0.74 -2.23 0.00 0.00 178.31 177.06 2bnp h PHE 121 N -0.28 1.08 -0.29 0.41 0.04 -1.01 -1.58 116.94 115.31 2bnp h PHE 121 Ca -0.03 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 2bnp h PHE 121 Cb 0.22 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2bnp h PHE 121 CO -0.05 0.80 -0.36 1.98 -0.60 0.00 0.00 178.31 180.07 2bnp h MET 122 N 1.07 0.66 -0.63 1.51 4.05 -1.09 -0.84 114.93 119.66 2bnp h MET 122 Ca 0.26 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2bnp h MET 122 Cb 0.14 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 2bnp h MET 122 CO -0.03 0.92 0.33 0.35 0.23 0.00 0.00 176.91 178.71 2bnp h PHE 123 N 0.55 0.87 -0.24 1.39 3.57 -0.58 -1.59 116.94 120.92 2bnp h PHE 123 Ca 0.05 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 2bnp h PHE 123 Cb 0.88 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2bnp h PHE 123 CO 0.04 0.64 -0.42 0.28 -2.23 0.00 0.00 178.31 176.62 2bnp h VAL 124 N 0.85 1.30 -0.10 1.41 2.07 -1.20 -3.00 116.25 117.57 2bnp h VAL 124 Ca 0.22 -1.59 -0.15 0.00 0.82 0.00 0.00 66.70 66.00 2bnp h VAL 124 Cb 0.07 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2bnp h VAL 124 CO -0.03 0.50 -0.57 0.00 0.02 0.00 0.00 177.57 177.49 2bnp h ALA 125 N 1.07 0.84 0.03 1.67 0.00 -0.80 -1.54 119.26 120.53 2bnp h ALA 125 Ca 0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2bnp h ALA 125 Cb 0.93 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2bnp h ALA 125 CO 0.08 0.70 -0.22 0.28 0.00 0.00 0.00 179.25 180.10 2bnp h VAL 126 N 0.24 1.71 -0.26 0.00 2.07 -1.35 -2.83 116.25 115.83 2bnp h VAL 126 Ca -0.00 -2.35 -0.06 0.00 0.82 0.00 0.00 66.70 65.11 2bnp h VAL 126 Cb 1.07 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 34.12 2bnp h VAL 126 CO 0.09 0.63 -0.10 -0.50 0.02 0.00 0.00 177.57 177.71 2bnp h TRP 127 N -0.80 0.44 -0.48 1.57 4.06 -1.61 0.21 115.95 119.34 2bnp h TRP 127 Ca -0.04 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 2bnp h TRP 127 Cb 1.15 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 2bnp h TRP 127 CO 0.25 0.52 0.20 0.77 -3.56 0.00 0.00 178.44 176.62 2bnp h SER 128 N 0.40 0.65 0.05 -3.49 0.02 -1.38 -2.00 113.55 107.80 2bnp h SER 128 Ca 0.08 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 2bnp h SER 128 Cb 0.42 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bnp h SER 128 CO 0.02 0.63 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.89 2bnp h TRP 129 N 0.63 0.30 -0.17 3.45 2.91 -1.20 -2.01 115.95 119.87 2bnp h TRP 129 Ca 0.16 -0.05 -0.15 0.00 1.13 0.00 0.00 58.89 59.98 2bnp h TRP 129 Cb 0.17 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 2bnp h TRP 129 CO 0.00 0.47 -0.48 2.35 -1.03 0.00 0.00 178.44 179.75 2bnp h TRP 130 N 0.26 0.81 -0.66 2.65 7.01 -0.71 -0.84 115.95 124.47 2bnp h TRP 130 Ca 0.05 -0.32 0.07 0.00 2.11 0.00 0.00 58.89 60.79 2bnp h TRP 130 Cb 0.51 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 2bnp h TRP 130 CO 0.01 1.10 0.44 0.78 -2.79 0.00 0.00 178.44 177.98 2bnp h GLY 131 N 0.30 0.83 0.93 2.65 0.00 -1.32 -2.41 103.07 104.04 2bnp h GLY 131 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2bnp h GLY 131 CO 0.10 0.19 -0.07 -0.09 0.00 0.00 0.00 176.54 176.67 2bnp h ARG 132 N 0.65 0.67 -0.28 4.80 2.43 -0.75 -0.31 114.38 121.58 2bnp h ARG 132 Ca 0.29 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2bnp h ARG 132 Cb 0.30 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2bnp h ARG 132 CO -0.09 0.82 0.12 1.79 -1.51 0.00 0.00 179.97 181.10 2bnp h THR 133 N 0.46 1.11 -0.02 0.20 1.35 -0.83 -1.10 112.91 114.09 2bnp h THR 133 Ca 0.09 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2bnp h THR 133 Cb 0.57 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2bnp h THR 133 CO 0.03 0.13 -0.01 0.22 -0.25 0.00 0.00 175.52 175.64 2bnp h TYR 134 N 0.39 0.04 -0.29 4.73 3.20 -1.19 -3.13 116.97 120.72 2bnp h TYR 134 Ca 0.10 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2bnp h TYR 134 Cb 0.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2bnp h TYR 134 CO 0.00 0.44 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.55 2bnp h LEU 135 N -0.37 0.65 -0.53 2.82 3.38 -0.68 -1.05 115.31 119.53 2bnp h LEU 135 Ca 0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bnp h LEU 135 Cb 0.43 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2bnp h LEU 135 CO 0.00 0.94 0.32 0.03 0.09 0.00 0.00 178.44 179.81 2bnp h ARG 136 N 0.53 0.73 -0.34 1.13 -0.00 -1.33 -1.57 114.38 113.53 2bnp h ARG 136 Ca 0.06 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.98 59.40 2bnp h ARG 136 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.64 2bnp h ARG 136 CO 0.07 0.54 -0.05 0.00 0.00 0.00 0.00 179.97 180.53 2bnp h ALA 137 N 1.15 0.46 -0.33 0.04 0.00 -1.44 -2.86 119.26 116.27 2bnp h ALA 137 Ca 0.19 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bnp h ALA 137 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2bnp h ALA 137 CO -0.03 0.27 0.11 0.37 0.00 0.00 0.00 179.25 179.97 2bnp h GLN 138 N 0.42 0.25 0.00 0.00 4.15 -1.02 -0.24 115.11 118.66 2bnp h GLN 138 Ca 0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2bnp h GLN 138 Cb 0.53 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2bnp h GLN 138 CO 0.03 0.16 -0.11 0.00 -1.93 0.00 0.00 178.83 176.98 2bnp h ALA 139 N 1.21 1.64 -0.10 3.38 0.00 -1.31 -1.25 119.26 122.83 2bnp h ALA 139 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bnp h ALA 139 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bnp h ALA 139 CO -0.16 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2bnp n LEU 140 N -4.16 2.00 -0.49 0.00 4.77 -0.92 -1.23 117.00 116.97 2bnp n LEU 140 Ca -0.03 -0.75 -0.06 0.00 -0.03 0.00 0.00 56.01 55.14 2bnp n LEU 140 Cb 0.19 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2bnp n LEU 140 CO 0.33 0.37 -0.06 0.61 -1.33 0.00 0.00 177.39 177.32 2bnp n GLY 141 N 1.23 0.88 3.96 -0.72 0.00 -0.47 -4.93 105.19 105.13 2bnp n GLY 141 Ca 0.17 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 2bnp n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bnp s MET 142 N -2.51 2.69 1.03 1.61 1.00 -0.17 -5.01 119.30 117.94 2bnp s MET 142 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 55.69 54.91 2bnp s MET 142 Cb 0.00 -2.49 0.21 0.00 0.00 0.00 0.00 34.83 32.55 2bnp s MET 142 CO 0.00 -0.61 1.09 0.20 0.00 0.00 0.00 175.02 175.70 2bnp s GLY 143 N -4.37 1.56 -0.36 -0.03 0.00 -1.26 -4.47 107.32 98.39 2bnp s GLY 143 Ca 0.55 -0.37 0.07 0.00 0.00 0.00 0.00 44.72 44.97 2bnp s GLY 143 CO 0.39 0.27 1.65 0.28 0.00 0.00 0.00 173.10 175.69 2bnp n LYS 144 N -4.30 2.00 0.07 2.90 4.76 -1.26 -4.62 118.16 117.71 2bnp n LYS 144 Ca 0.05 -3.13 -0.02 0.00 -2.87 0.00 0.00 58.31 52.35 2bnp n LYS 144 Cb 0.57 -1.97 0.25 0.00 -1.84 0.00 0.00 35.03 32.04 2bnp n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bnp h HIS 145 N 1.00 0.37 -0.16 2.13 3.86 -1.97 -1.42 115.15 118.97 2bnp h HIS 145 Ca 0.40 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.47 2bnp h HIS 145 Cb 2.16 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 30.54 2bnp h HIS 145 CO 1.28 0.60 -0.11 1.15 0.86 0.00 0.00 177.93 181.70 2bnp h THR 146 N 0.29 1.33 -0.56 2.45 2.02 -1.93 -1.88 112.91 114.63 2bnp h THR 146 Ca 0.04 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.02 2bnp h THR 146 Cb 0.67 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2bnp h THR 146 CO 0.05 0.36 0.36 0.00 0.37 0.00 0.00 175.52 176.66 2bnp h ALA 147 N 0.65 0.72 -0.15 6.16 0.00 -1.78 -1.26 119.26 123.60 2bnp h ALA 147 Ca 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2bnp h ALA 147 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bnp h ALA 147 CO 0.03 0.11 -0.45 -1.49 0.00 0.00 0.00 179.25 177.46 2bnp h TRP 148 N 0.73 0.44 -0.01 0.00 -0.00 -1.17 -2.16 115.95 113.78 2bnp h TRP 148 Ca 0.22 -0.13 -0.17 0.00 -0.00 0.00 0.00 58.89 58.80 2bnp h TRP 148 Cb -0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 2bnp h TRP 148 CO -0.05 0.76 -0.76 0.00 -0.00 0.00 0.00 178.44 178.39 2bnp h ALA 149 N 1.22 0.70 -0.21 1.49 0.00 -1.30 -3.09 119.26 118.07 2bnp h ALA 149 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 2bnp h ALA 149 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2bnp h ALA 149 CO 0.08 0.87 -0.28 0.35 0.00 0.00 0.00 179.25 180.27 2bnp h PHE 150 N 0.08 0.46 0.00 0.00 3.57 -0.92 -2.28 116.94 117.85 2bnp h PHE 150 Ca -0.02 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 2bnp h PHE 150 Cb 1.33 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2bnp h PHE 150 CO 0.02 0.65 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.66 2bnp h LEU 151 N 0.36 0.00 -0.41 0.59 3.38 -1.31 -1.72 115.31 116.20 2bnp h LEU 151 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2bnp h LEU 151 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2bnp h LEU 151 CO 0.05 0.02 -0.24 -1.28 0.09 0.00 0.00 178.44 177.09 2bnp h SER 152 N 0.00 0.92 -0.25 -0.43 0.87 -1.46 -1.32 113.55 111.88 2bnp h SER 152 Ca -0.00 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 60.05 2bnp h SER 152 Cb 0.06 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2bnp h SER 152 CO 0.00 1.14 -0.21 0.00 -0.53 0.00 0.00 176.83 177.22 2bnp h ALA 153 N 0.81 0.36 -0.72 6.23 0.00 -1.38 -3.02 119.26 121.54 2bnp h ALA 153 Ca 0.09 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.71 2bnp h ALA 153 Cb 0.81 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2bnp h ALA 153 CO 0.07 0.31 0.47 0.82 0.00 0.00 0.00 179.25 180.92 2bnp h ILE 154 N 0.30 0.99 -0.39 0.00 2.04 -1.32 -2.22 117.51 116.91 2bnp h ILE 154 Ca 0.04 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2bnp h ILE 154 Cb 0.76 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2bnp h ILE 154 CO 0.06 0.13 0.15 -0.25 0.00 0.00 0.00 178.15 178.23 2bnp h TRP 155 N 0.70 0.60 -0.37 1.37 2.91 -1.11 0.50 115.95 120.55 2bnp h TRP 155 Ca 0.32 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.27 2bnp h TRP 155 Cb 0.34 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 2bnp h TRP 155 CO -0.00 0.54 0.17 1.25 -1.03 0.00 0.00 178.44 179.37 2bnp h LEU 156 N 0.49 0.50 -0.59 0.65 6.46 -1.42 -0.84 115.31 120.56 2bnp h LEU 156 Ca 0.13 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2bnp h LEU 156 Cb 0.20 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 2bnp h LEU 156 CO -0.01 0.49 0.37 -0.25 -0.62 0.00 0.00 178.44 178.43 2bnp h TRP 157 N 0.46 0.70 -0.37 1.25 7.01 -1.18 -1.32 115.95 122.50 2bnp h TRP 157 Ca 0.13 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.08 2bnp h TRP 157 Cb 0.14 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 2bnp h TRP 157 CO -0.01 0.42 -0.04 0.52 -2.79 0.00 0.00 178.44 176.54 2bnp h MET 158 N 0.75 0.60 -0.09 2.65 2.86 0.36 -1.77 114.93 120.29 2bnp h MET 158 Ca 0.23 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2bnp h MET 158 Cb -0.03 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2bnp h MET 158 CO -0.08 0.65 -0.13 0.28 1.06 0.00 0.00 176.91 178.69 2bnp h VAL 159 N 0.56 1.38 -0.51 -2.22 2.07 -0.84 0.85 116.25 117.54 2bnp h VAL 159 Ca 0.11 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2bnp h VAL 159 Cb 0.41 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2bnp h VAL 159 CO 0.02 0.38 0.26 -0.07 0.02 0.00 0.00 177.57 178.18 2bnp h LEU 160 N -0.19 0.66 0.00 2.57 3.38 -1.04 -1.79 115.31 118.90 2bnp h LEU 160 Ca 0.01 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2bnp h LEU 160 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2bnp h LEU 160 CO 0.03 0.59 -1.30 0.61 0.09 0.00 0.00 178.44 178.45 2bnp n GLY 161 N -0.96 -1.31 2.00 0.83 0.00 -0.68 -4.12 105.19 100.95 2bnp n GLY 161 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2bnp n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bnp n PHE 162 N -2.67 -1.59 -0.01 1.61 3.72 -0.33 -4.78 117.46 113.41 2bnp n PHE 162 Ca -0.04 0.28 -0.17 0.00 -0.05 0.00 0.00 57.45 57.47 2bnp n PHE 162 Cb 0.65 0.56 -0.10 0.00 -0.94 0.00 0.00 39.48 39.65 2bnp n PHE 162 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2bnp h ILE 163 N 0.00 1.38 0.03 4.37 2.04 -0.99 -2.47 117.51 121.88 2bnp h ILE 163 Ca 0.00 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 2bnp h ILE 163 Cb 0.00 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2bnp h ILE 163 CO 0.00 0.58 -0.02 -0.09 0.00 0.00 0.00 178.15 178.63 2bnp h ARG 164 N 0.06 -0.04 -0.36 2.37 2.43 -1.54 -2.54 114.38 114.75 2bnp h ARG 164 Ca -0.06 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2bnp h ARG 164 Cb 1.26 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2bnp h ARG 164 CO 0.12 0.23 0.24 -1.35 -1.51 0.00 0.00 179.97 177.70 2bnp h PRO 165 N -0.32 0.32 -0.17 0.20 0.11 -1.75 -0.84 132.00 129.55 2bnp h PRO 165 Ca -0.00 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 2bnp h PRO 165 Cb 0.30 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.35 2bnp h PRO 165 CO 0.01 0.21 -0.65 0.82 -0.21 0.00 0.00 178.00 178.18 2bnp h ILE 166 N 0.33 1.30 0.00 4.15 2.04 -1.42 -1.57 117.51 122.34 2bnp h ILE 166 Ca 0.15 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2bnp h ILE 166 Cb 0.19 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2bnp h ILE 166 CO -0.03 0.59 -0.02 -0.07 0.00 0.00 0.00 178.15 178.62 2bnp h LEU 167 N 0.45 0.00 0.00 1.44 3.38 -0.99 -2.72 115.31 116.86 2bnp h LEU 167 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bnp h LEU 167 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2bnp h LEU 167 CO 0.14 0.02 -0.60 0.23 0.09 0.00 0.00 178.44 178.31 2bnp n MET 168 N -3.12 0.07 -0.58 1.13 2.81 -0.36 -4.97 117.12 112.10 2bnp n MET 168 Ca 0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2bnp n MET 168 Cb 0.34 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2bnp n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bnp n GLY 169 N 1.47 0.77 3.25 3.03 0.00 -0.66 -5.03 105.19 108.02 2bnp n GLY 169 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2bnp n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bnp s SER 170 N -2.80 -0.33 0.56 1.61 1.04 -0.80 -3.11 113.70 109.87 2bnp s SER 170 Ca 0.00 0.55 0.36 0.00 0.48 0.00 0.00 55.95 57.35 2bnp s SER 170 Cb 0.00 0.62 1.71 0.00 0.10 0.00 0.00 66.02 68.45 2bnp s SER 170 CO 0.00 -0.21 2.08 -0.50 0.98 0.00 0.00 173.24 175.59 2bnp h TRP 171 N 5.12 0.00 0.00 5.02 4.06 -1.63 -3.10 115.95 125.42 2bnp h TRP 171 Ca -0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.67 2bnp h TRP 171 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2bnp h TRP 171 CO 0.43 0.00 -0.02 0.66 -3.56 0.00 0.00 178.44 175.95 2bnp h SER 172 N 0.00 0.00 0.67 -3.49 4.64 -1.80 -1.19 113.55 112.37 2bnp h SER 172 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bnp h SER 172 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2bnp h SER 172 CO 0.00 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 2bnp n GLU 173 N -3.51 0.07 -1.84 4.77 -0.58 -1.17 -4.86 120.64 113.52 2bnp n GLU 173 Ca -0.03 0.12 -0.29 0.00 -0.42 0.00 0.00 57.16 56.54 2bnp n GLU 173 Cb 0.11 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.60 2bnp n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bnp s ALA 174 N -2.91 2.42 -0.08 0.62 0.00 -0.45 -4.82 121.76 116.54 2bnp s ALA 174 Ca 0.12 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2bnp s ALA 174 Cb 0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2bnp s ALA 174 CO 0.38 -1.92 0.64 0.08 0.00 0.00 0.00 175.76 174.94 2bnp s VAL 175 N -3.57 5.08 0.63 0.00 1.01 -1.26 -4.87 120.40 117.42 2bnp s VAL 175 Ca 0.64 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.79 2bnp s VAL 175 Cb -0.10 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2bnp s VAL 175 CO 0.50 0.27 1.07 -2.16 0.00 0.00 0.00 175.10 174.77 2bnp s PRO 176 N 0.79 3.13 -0.97 2.72 0.04 -1.26 -4.86 135.00 134.60 2bnp s PRO 176 Ca 0.34 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 2bnp s PRO 176 Cb -0.17 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.52 2bnp s PRO 176 CO 0.16 -0.96 1.11 0.71 0.04 0.00 0.00 177.00 178.06 2bnp s TYR 177 N -2.58 3.36 -0.11 0.56 2.02 -0.32 -4.49 117.35 115.80 2bnp s TYR 177 Ca 0.63 -1.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.33 2bnp s TYR 177 Cb -0.16 -4.18 0.08 0.00 -0.40 0.00 0.00 41.96 37.30 2bnp s TYR 177 CO 0.42 -1.36 0.77 0.20 -1.57 0.00 0.00 175.55 174.01 2bnp s GLY 178 N 3.11 -0.49 0.00 0.71 0.00 -1.26 -1.70 107.32 107.69 2bnp s GLY 178 Ca 0.32 1.61 -0.01 0.00 0.00 0.00 0.00 44.72 46.64 2bnp s GLY 178 CO -0.08 1.11 1.02 -2.22 0.00 0.00 0.00 173.10 172.93 2bnp h ILE 179 N 3.06 0.00 -0.01 0.90 1.08 -1.76 -2.21 117.51 118.57 2bnp h ILE 179 Ca -0.25 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.06 2bnp h ILE 179 Cb 1.15 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2bnp h ILE 179 CO 0.32 0.00 -0.71 -0.26 -0.69 0.00 0.00 178.15 176.81 2bnp h PHE 180 N -0.03 0.07 -0.26 1.37 0.04 -1.54 -3.17 116.94 113.43 2bnp h PHE 180 Ca -0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 2bnp h PHE 180 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2bnp h PHE 180 CO -0.09 0.74 -0.23 0.66 -0.60 0.00 0.00 178.31 178.79 2bnp h SER 181 N 0.04 0.48 0.85 2.17 4.64 -1.77 -2.09 113.55 117.87 2bnp h SER 181 Ca -0.01 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 2bnp h SER 181 Cb 1.25 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2bnp h SER 181 CO 0.10 0.71 -0.33 1.12 -0.87 0.00 0.00 176.83 177.56 2bnp h HIS 182 N 0.43 0.00 -0.18 4.77 2.07 -1.36 -0.14 115.15 120.74 2bnp h HIS 182 Ca 0.07 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.37 2bnp h HIS 182 Cb 0.64 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.62 2bnp h HIS 182 CO 0.02 0.33 -0.73 -0.07 -3.07 0.00 0.00 177.93 174.41 2bnp h LEU 183 N 0.00 0.95 -0.86 6.12 3.38 -1.50 -2.55 115.31 120.86 2bnp h LEU 183 Ca -0.00 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 2bnp h LEU 183 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2bnp h LEU 183 CO 0.04 1.41 -0.23 0.44 0.09 0.00 0.00 178.44 180.20 2bnp h ASP 184 N 0.56 0.60 -0.58 -0.43 3.32 -0.71 -1.47 116.42 117.71 2bnp h ASP 184 Ca -0.04 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2bnp h ASP 184 Cb 1.36 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2bnp h ASP 184 CO 0.15 0.82 0.15 -0.25 -1.72 0.00 0.00 179.24 178.39 2bnp h TRP 185 N 0.53 0.99 -0.65 4.55 7.01 -1.06 -0.52 115.95 126.80 2bnp h TRP 185 Ca 0.08 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2bnp h TRP 185 Cb 0.67 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 2bnp h TRP 185 CO 0.03 0.82 0.10 1.15 -2.79 0.00 0.00 178.44 177.75 2bnp h THR 186 N 0.92 1.26 -0.21 2.65 2.02 -1.00 -0.63 112.91 117.93 2bnp h THR 186 Ca 0.20 -1.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.19 2bnp h THR 186 Cb 0.33 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2bnp h THR 186 CO -0.00 0.39 -0.48 -1.13 0.37 0.00 0.00 175.52 174.67 2bnp h ASN 187 N 1.00 0.78 -0.39 4.18 -1.24 -0.97 -3.09 115.58 115.85 2bnp h ASN 187 Ca 0.20 -0.56 -0.10 0.00 0.71 0.00 0.00 56.30 56.55 2bnp h ASN 187 Cb 0.44 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2bnp h ASN 187 CO 0.01 1.20 -0.11 -1.13 -1.29 0.00 0.00 177.43 176.12 2bnp h ASN 188 N 0.39 0.83 -0.96 1.15 -1.24 -1.00 -2.25 115.58 112.50 2bnp h ASN 188 Ca -0.00 -0.25 0.09 0.00 0.71 0.00 0.00 56.30 56.84 2bnp h ASN 188 Cb 1.09 -0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.85 2bnp h ASN 188 CO 0.10 0.95 0.62 0.15 -1.29 0.00 0.00 177.43 177.97 2bnp h PHE 189 N 0.75 1.10 0.00 0.67 3.04 -1.09 0.15 116.94 121.56 2bnp h PHE 189 Ca 0.13 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.91 2bnp h PHE 189 Cb 0.61 -0.36 0.02 0.00 2.56 0.00 0.00 35.95 38.78 2bnp h PHE 189 CO 0.03 0.53 -0.78 1.03 -2.02 0.00 0.00 178.31 177.10 2bnp h SER 190 N 1.04 0.68 0.18 0.41 0.87 -1.42 -2.86 113.55 112.45 2bnp h SER 190 Ca 0.43 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2bnp h SER 190 Cb 0.30 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2bnp h SER 190 CO -0.19 1.35 -0.09 -0.07 -0.53 0.00 0.00 176.83 177.31 2bnp h LEU 191 N 0.08 -0.20 -1.78 2.23 4.07 -0.73 -0.98 115.31 118.00 2bnp h LEU 191 Ca -0.10 -0.02 0.21 0.00 0.08 0.00 0.00 57.88 58.05 2bnp h LEU 191 Cb 1.47 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 43.22 2bnp h LEU 191 CO 0.15 -0.12 0.57 0.58 -1.08 0.00 0.00 178.44 178.54 2bnp h VAL 192 N -0.27 0.65 -0.46 1.22 2.07 -0.84 -2.72 116.25 115.91 2bnp h VAL 192 Ca -0.02 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2bnp h VAL 192 Cb 0.21 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2bnp h VAL 192 CO 0.04 0.03 0.07 1.41 0.02 0.00 0.00 177.57 179.14 2bnp n HIS 193 N -4.40 1.59 -2.95 1.57 8.25 -0.92 -4.86 115.22 113.50 2bnp n HIS 193 Ca 0.17 -1.03 -0.12 0.00 -0.26 0.00 0.00 57.72 56.48 2bnp n HIS 193 Cb 0.76 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 31.45 2bnp n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bnp n GLY 194 N -0.29 -0.02 1.69 -1.41 0.00 -1.02 -1.42 105.19 102.70 2bnp n GLY 194 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bnp n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bnp n ASN 195 N -1.99 -5.09 0.12 1.61 4.05 -0.42 -1.49 115.26 112.05 2bnp n ASN 195 Ca -0.12 0.86 0.12 0.00 0.45 0.00 0.00 54.58 55.89 2bnp n ASN 195 Cb 0.58 -3.01 0.45 0.00 1.23 0.00 0.00 39.78 39.03 2bnp n ASN 195 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2bnp n LEU 196 N 0.86 0.74 0.23 1.20 7.94 -1.26 -2.20 117.00 124.52 2bnp n LEU 196 Ca -0.02 0.62 0.17 0.00 -1.11 0.00 0.00 56.01 55.67 2bnp n LEU 196 Cb 0.04 -0.45 0.87 0.00 0.53 0.00 0.00 43.42 44.41 2bnp n LEU 196 CO 0.02 -0.37 1.15 -0.26 -1.11 0.00 0.00 177.39 176.82 2bnp h PHE 197 N 0.00 0.00 -0.69 1.96 0.04 -1.95 -2.00 116.94 114.30 2bnp h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bnp h PHE 197 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2bnp h PHE 197 CO 0.00 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.37 2bnp n TYR 198 N -3.67 0.92 -2.90 -0.55 4.01 -0.93 -4.71 117.16 109.32 2bnp n TYR 198 Ca 0.01 -0.46 -0.43 0.00 -0.16 0.00 0.00 57.90 56.86 2bnp n TYR 198 Cb 0.30 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 2bnp n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bnp s ASN 199 N -1.00 6.41 0.56 7.72 3.84 -0.75 -4.61 114.94 127.12 2bnp s ASN 199 Ca 0.46 -0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.65 2bnp s ASN 199 Cb 0.24 -2.41 1.53 0.00 -0.55 0.00 0.00 41.25 40.06 2bnp s ASN 199 CO 0.31 -1.02 2.08 1.55 -2.79 0.00 0.00 177.10 177.23 2bnp h PRO 200 N 9.08 0.00 -0.00 0.43 0.13 -1.87 0.29 132.00 140.07 2bnp h PRO 200 Ca -0.25 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 2bnp h PRO 200 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2bnp h PRO 200 CO 1.01 0.00 -0.80 0.74 -0.23 0.00 0.00 178.00 178.72 2bnp h PHE 201 N 0.00 0.02 -0.33 1.56 0.04 -1.92 -1.73 116.94 114.58 2bnp h PHE 201 Ca 0.12 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 2bnp h PHE 201 Cb 0.57 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 2bnp h PHE 201 CO 0.00 0.81 -0.18 1.25 -0.60 0.00 0.00 178.31 179.59 2bnp h HIS 202 N 0.01 0.68 -0.00 -0.55 2.76 -1.24 -1.54 115.15 115.26 2bnp h HIS 202 Ca -0.01 -0.13 -0.17 0.00 -2.20 0.00 0.00 60.37 57.85 2bnp h HIS 202 Cb 1.41 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.18 2bnp h HIS 202 CO 0.00 0.75 -0.80 0.78 -1.30 0.00 0.00 177.93 177.37 2bnp h GLY 203 N 0.98 0.11 0.82 5.26 0.00 -1.26 -1.58 103.07 107.39 2bnp h GLY 203 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2bnp h GLY 203 CO 0.04 0.16 -0.02 1.41 0.00 0.00 0.00 176.54 178.13 2bnp h LEU 204 N 0.06 0.38 -1.07 3.11 3.38 -1.30 -1.94 115.31 117.92 2bnp h LEU 204 Ca -0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2bnp h LEU 204 Cb 1.40 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 2bnp h LEU 204 CO 0.11 0.62 0.63 -1.28 0.09 0.00 0.00 178.44 178.62 2bnp h SER 205 N 0.12 1.08 -0.22 -0.43 0.87 -1.11 -0.83 113.55 113.03 2bnp h SER 205 Ca 0.06 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2bnp h SER 205 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2bnp h SER 205 CO 0.01 0.77 0.08 0.40 -0.53 0.00 0.00 176.83 177.56 2bnp h ILE 206 N 1.27 1.18 -0.99 2.23 2.04 -1.29 -0.67 117.51 121.27 2bnp h ILE 206 Ca 0.36 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.83 2bnp h ILE 206 Cb -0.11 1.14 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 2bnp h ILE 206 CO -0.09 0.18 0.62 0.00 0.00 0.00 0.00 178.15 178.86 2bnp h ALA 207 N 0.91 1.64 0.00 1.87 0.00 -0.42 0.39 119.26 123.66 2bnp h ALA 207 Ca 0.07 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2bnp h ALA 207 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2bnp h ALA 207 CO -0.00 0.06 -0.91 0.74 0.00 0.00 0.00 179.25 179.13 2bnp h PHE 208 N 0.85 0.00 0.08 0.00 0.04 -1.05 0.40 116.94 117.25 2bnp h PHE 208 Ca 0.53 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 2bnp h PHE 208 Cb 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2bnp h PHE 208 CO -0.00 0.91 -0.04 1.25 -0.60 0.00 0.00 178.31 179.83 2bnp h LEU 209 N 0.00 -0.09 -0.64 1.54 5.85 -0.13 0.13 115.31 121.97 2bnp h LEU 209 Ca -0.01 -0.52 0.11 0.00 0.84 0.00 0.00 57.88 58.30 2bnp h LEU 209 Cb 1.66 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.63 2bnp h LEU 209 CO 0.12 0.53 0.21 1.88 -0.34 0.00 0.00 178.44 180.84 2bnp h TYR 210 N -0.77 0.36 0.00 1.25 0.05 -1.08 -2.54 116.97 114.23 2bnp h TYR 210 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2bnp h TYR 210 Cb 0.60 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 2bnp h TYR 210 CO 0.13 0.05 -0.08 0.78 -1.05 0.00 0.00 178.16 177.99 2bnp h GLY 211 N 0.37 0.00 1.41 3.88 0.00 -0.80 -1.48 103.07 106.45 2bnp h GLY 211 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.44 2bnp h GLY 211 CO -0.36 0.00 -0.85 1.76 0.00 0.00 0.00 176.54 177.09 2bnp h SER 212 N 0.00 0.69 -0.39 0.19 0.02 -0.33 -1.24 113.55 112.50 2bnp h SER 212 Ca -0.00 -0.50 -0.16 0.00 -0.84 0.00 0.00 61.79 60.29 2bnp h SER 212 Cb 0.46 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2bnp h SER 212 CO 0.01 1.28 -0.37 0.00 -1.14 0.00 0.00 176.83 176.61 2bnp h ALA 213 N 0.69 0.58 0.29 3.77 0.00 -1.12 -1.04 119.26 122.43 2bnp h ALA 213 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bnp h ALA 213 Cb 1.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2bnp h ALA 213 CO 0.16 0.68 -0.31 1.25 0.00 0.00 0.00 179.25 181.03 2bnp h LEU 214 N 0.78 -0.84 -0.73 0.00 5.85 -1.33 -1.92 115.31 117.12 2bnp h LEU 214 Ca 0.07 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2bnp h LEU 214 Cb 0.97 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2bnp h LEU 214 CO 0.09 -0.44 -0.08 0.25 -0.34 0.00 0.00 178.44 177.92 2bnp h LEU 215 N -0.64 0.88 -0.43 2.25 5.85 -1.17 -0.61 115.31 121.43 2bnp h LEU 215 Ca -0.01 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.27 2bnp h LEU 215 Cb 0.59 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2bnp h LEU 215 CO -0.07 0.99 -0.64 0.15 -0.34 0.00 0.00 178.44 178.52 2bnp h PHE 216 N 0.80 0.68 -0.83 1.25 3.04 -1.23 -1.01 116.94 119.65 2bnp h PHE 216 Ca 0.14 -0.27 0.01 0.00 3.98 0.00 0.00 57.97 61.83 2bnp h PHE 216 Cb 0.60 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 2bnp h PHE 216 CO 0.03 1.02 0.55 0.00 -2.02 0.00 0.00 178.31 177.90 2bnp h ALA 217 N 0.91 1.06 -0.16 2.41 0.00 -1.16 0.85 119.26 123.17 2bnp h ALA 217 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2bnp h ALA 217 Cb 1.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2bnp h ALA 217 CO 0.12 0.45 0.04 0.52 0.00 0.00 0.00 179.25 180.38 2bnp h MET 218 N 1.11 0.25 0.07 0.00 2.86 -0.94 -2.09 114.93 116.19 2bnp h MET 218 Ca 0.31 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.61 2bnp h MET 218 Cb -0.11 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.54 2bnp h MET 218 CO -0.07 0.38 -1.15 1.25 1.06 0.00 0.00 176.91 178.37 2bnp h HIS 219 N 0.07 0.93 0.14 -0.22 -0.00 -1.09 -0.12 115.15 114.85 2bnp h HIS 219 Ca 0.05 -0.56 -0.01 0.00 -0.00 0.00 0.00 60.37 59.86 2bnp h HIS 219 Cb 0.24 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2bnp h HIS 219 CO 0.00 1.40 -0.07 0.78 -0.00 0.00 0.00 177.93 180.04 2bnp h GLY 220 N 0.56 -0.20 0.76 5.26 0.00 -0.92 -1.71 103.07 106.83 2bnp h GLY 220 Ca -0.15 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.29 2bnp h GLY 220 CO 0.22 -0.07 0.28 0.00 0.00 0.00 0.00 176.54 176.97 2bnp h ALA 221 N 0.48 0.68 -0.22 3.60 0.00 -1.43 -1.81 119.26 120.56 2bnp h ALA 221 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2bnp h ALA 221 Cb 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2bnp h ALA 221 CO 0.03 -0.04 0.04 1.15 0.00 0.00 0.00 179.25 180.43 2bnp h THR 222 N 0.55 0.90 -0.23 0.00 2.02 -0.92 0.90 112.91 116.13 2bnp h THR 222 Ca 0.23 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 67.20 2bnp h THR 222 Cb 0.11 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2bnp h THR 222 CO -0.14 0.02 -0.52 0.40 0.37 0.00 0.00 175.52 175.65 2bnp h ILE 223 N 0.13 1.30 -0.33 3.11 1.08 -1.21 -1.04 117.51 120.55 2bnp h ILE 223 Ca 0.10 -1.74 -0.10 0.00 -0.39 0.00 0.00 64.86 62.73 2bnp h ILE 223 Cb 0.10 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2bnp h ILE 223 CO -0.13 0.55 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.59 2bnp h LEU 224 N 0.51 0.64 -1.48 1.44 3.38 -1.06 0.13 115.31 118.87 2bnp h LEU 224 Ca 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2bnp h LEU 224 Cb 1.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2bnp h LEU 224 CO 0.10 0.85 -0.25 0.00 0.09 0.00 0.00 178.44 179.23 2bnp h ALA 225 N 1.21 1.28 -0.34 1.53 0.00 -0.23 -2.92 119.26 119.80 2bnp h ALA 225 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bnp h ALA 225 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bnp h ALA 225 CO 0.05 0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.94 2bnp n VAL 226 N -3.80 1.76 0.26 0.00 0.24 -0.45 -4.53 118.33 111.81 2bnp n VAL 226 Ca -0.01 -1.46 0.14 0.00 -2.04 0.00 0.00 64.34 60.97 2bnp n VAL 226 Cb 0.35 0.07 0.64 0.00 -1.47 0.00 0.00 33.84 33.43 2bnp n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2bnp h SER 227 N 2.16 0.00 0.39 -1.34 4.64 -0.54 -1.14 113.55 117.72 2bnp h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bnp h SER 227 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2bnp h SER 227 CO 0.14 0.10 0.00 -2.11 -0.87 0.00 0.00 176.83 174.09 2bnp n ARG 228 N -3.27 0.06 -0.94 4.77 1.85 -1.26 -1.46 116.66 116.40 2bnp n ARG 228 Ca -0.00 0.39 -0.04 0.00 -1.00 0.00 0.00 57.85 57.20 2bnp n ARG 228 Cb 0.33 -1.64 0.17 0.00 -1.05 0.00 0.00 32.46 30.27 2bnp n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2bnp n PHE 229 N -1.76 0.93 -2.73 2.89 3.72 -0.61 -4.97 117.46 114.94 2bnp n PHE 229 Ca 0.02 -1.71 -0.18 0.00 -0.05 0.00 0.00 57.45 55.53 2bnp n PHE 229 Cb 0.13 -0.38 0.02 0.00 -0.94 0.00 0.00 39.48 38.31 2bnp n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bnp n GLY 230 N -1.05 -0.30 0.25 1.37 0.00 -0.54 -4.45 105.19 100.49 2bnp n GLY 230 Ca 0.29 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2bnp n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bnp h GLY 231 N -0.85 0.00 2.00 -0.02 0.00 -1.40 -2.90 103.07 99.90 2bnp h GLY 231 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2bnp h GLY 231 CO 0.46 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.05 2bnp h GLU 232 N 0.00 0.00 -4.90 4.80 9.09 -1.82 -3.34 114.58 118.41 2bnp h GLU 232 Ca -0.00 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.70 2bnp h GLU 232 Cb 0.58 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.59 2bnp h GLU 232 CO 0.01 0.00 2.34 0.54 0.05 0.00 0.00 179.01 181.96 2bnp n ARG 233 N -2.76 3.16 0.04 1.06 1.74 -1.10 -4.79 116.66 114.02 2bnp n ARG 233 Ca 0.01 -3.19 -0.09 0.00 -0.77 0.00 0.00 57.85 53.82 2bnp n ARG 233 Cb 0.27 -3.31 0.06 0.00 -1.02 0.00 0.00 32.46 28.46 2bnp n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bnp h GLU 234 N 6.85 0.44 -0.47 5.56 5.08 -1.86 -3.02 114.58 127.15 2bnp h GLU 234 Ca 0.46 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2bnp h GLU 234 Cb 0.78 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2bnp h GLU 234 CO 1.57 0.92 -0.10 -0.07 -1.00 0.00 0.00 179.01 180.33 2bnp h LEU 235 N 0.32 0.85 -0.86 1.33 3.38 -1.94 -1.16 115.31 117.24 2bnp h LEU 235 Ca -0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2bnp h LEU 235 Cb 1.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2bnp h LEU 235 CO 0.11 0.98 -0.31 -0.33 0.09 0.00 0.00 178.44 178.98 2bnp h GLU 236 N 0.77 0.00 -0.01 1.13 4.39 -1.92 -1.79 114.58 117.15 2bnp h GLU 236 Ca 0.13 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 2bnp h GLU 236 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2bnp h GLU 236 CO 0.04 0.31 -0.72 1.96 -1.16 0.00 0.00 179.01 179.44 2bnp h GLN 237 N 0.00 0.07 -0.14 2.33 1.08 -1.34 0.59 115.11 117.71 2bnp h GLN 237 Ca -0.00 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 2bnp h GLN 237 Cb 0.90 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2bnp h GLN 237 CO 0.04 0.76 -0.25 0.82 -0.95 0.00 0.00 178.83 179.25 2bnp h ILE 238 N 0.05 1.37 -0.07 2.54 2.04 -0.88 -2.49 117.51 120.06 2bnp h ILE 238 Ca -0.01 -1.50 -0.12 0.00 1.00 0.00 0.00 64.86 64.23 2bnp h ILE 238 Cb 1.27 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 2bnp h ILE 238 CO 0.10 0.44 -0.48 0.00 0.00 0.00 0.00 178.15 178.21 2bnp h ALA 239 N 0.56 1.05 -1.82 1.87 0.00 -1.34 -3.41 119.26 116.17 2bnp h ALA 239 Ca 0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 54.91 54.08 2bnp h ALA 239 Cb 0.83 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.24 2bnp h ALA 239 CO 0.06 0.64 -0.73 0.34 0.00 0.00 0.00 179.25 179.55 2bnp s ASP 240 N -6.88 0.51 -0.20 0.00 2.15 0.20 -5.09 116.67 107.35 2bnp s ASP 240 Ca -0.04 -2.11 -0.41 0.00 0.43 0.00 0.00 52.55 50.43 2bnp s ASP 240 Cb 0.13 0.60 -0.17 0.00 -0.30 0.00 0.00 42.92 43.18 2bnp s ASP 240 CO 0.77 -0.17 1.54 -1.14 -0.17 0.00 0.00 175.17 176.00 2bnp n ARG 241 N 3.44 0.79 -3.60 4.34 0.63 -0.94 -4.30 116.66 117.03 2bnp n ARG 241 Ca 0.19 0.29 -0.22 0.00 -0.92 0.00 0.00 57.85 57.19 2bnp n ARG 241 Cb 0.49 -1.91 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 2bnp n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2bnp s GLY 242 N 2.31 2.16 0.49 5.14 0.00 -1.26 -5.03 107.32 111.14 2bnp s GLY 242 Ca 0.96 -1.79 0.26 0.00 0.00 0.00 0.00 44.72 44.14 2bnp s GLY 242 CO 0.63 -1.75 1.98 0.00 0.00 0.00 0.00 173.10 173.97 2bnp h THR 243 N 0.92 0.58 -0.17 0.90 1.03 -1.93 -2.14 112.91 112.09 2bnp h THR 243 Ca -0.40 -0.75 0.05 0.00 -0.01 0.00 0.00 66.41 65.30 2bnp h THR 243 Cb 1.27 1.49 -0.05 0.00 -1.07 0.00 0.00 68.15 69.80 2bnp h THR 243 CO 0.56 0.16 -0.15 0.00 -0.01 0.00 0.00 175.52 176.09 2bnp h ALA 244 N 1.84 -0.03 -0.76 0.00 0.00 -1.88 0.48 119.26 118.90 2bnp h ALA 244 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2bnp h ALA 244 Cb 0.48 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2bnp h ALA 244 CO 0.02 -0.59 0.34 0.00 0.00 0.00 0.00 179.25 179.02 2bnp h ALA 245 N 0.94 1.15 -0.26 0.00 0.00 -1.77 -2.41 119.26 116.91 2bnp h ALA 245 Ca 0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2bnp h ALA 245 Cb 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bnp h ALA 245 CO -0.27 0.63 -0.25 0.93 0.00 0.00 0.00 179.25 180.28 2bnp h GLU 246 N 1.10 0.63 -0.48 0.00 5.08 -1.10 -2.50 114.58 117.31 2bnp h GLU 246 Ca 0.26 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2bnp h GLU 246 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bnp h GLU 246 CO -0.03 0.93 -0.12 0.00 -1.00 0.00 0.00 179.01 178.79 2bnp h ARG 247 N 0.34 0.90 -0.03 2.33 3.08 -0.87 -1.90 114.38 118.23 2bnp h ARG 247 Ca 0.04 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.78 2bnp h ARG 247 Cb 0.81 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2bnp h ARG 247 CO 0.06 0.97 -0.03 0.00 -1.07 0.00 0.00 179.97 179.90 2bnp h ALA 248 N 1.05 -0.01 -0.59 0.04 0.00 -1.40 0.18 119.26 118.53 2bnp h ALA 248 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2bnp h ALA 248 Cb 0.65 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2bnp h ALA 248 CO 0.05 -0.52 0.30 0.00 0.00 0.00 0.00 179.25 179.07 2bnp h ALA 249 N 0.98 0.75 -0.05 0.00 0.00 -1.41 -2.96 119.26 116.57 2bnp h ALA 249 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2bnp h ALA 249 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bnp h ALA 249 CO -0.06 0.30 -0.61 -0.07 0.00 0.00 0.00 179.25 178.81 2bnp h LEU 250 N 0.80 0.20 -0.84 0.00 3.38 -1.04 0.85 115.31 118.66 2bnp h LEU 250 Ca 0.20 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2bnp h LEU 250 Cb 0.09 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 2bnp h LEU 250 CO -0.03 0.76 0.43 0.15 0.09 0.00 0.00 178.44 179.85 2bnp h PHE 251 N 0.13 0.76 0.10 1.13 3.57 -0.49 -1.31 116.94 120.83 2bnp h PHE 251 Ca -0.01 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.22 2bnp h PHE 251 Cb 1.11 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2bnp h PHE 251 CO 0.02 0.19 -1.62 -1.49 -2.23 0.00 0.00 178.31 173.17 2bnp h TRP 252 N 0.63 0.39 -0.69 0.41 4.06 -1.33 -2.07 115.95 117.35 2bnp h TRP 252 Ca 0.45 -0.28 -0.00 0.00 2.06 0.00 0.00 58.89 61.12 2bnp h TRP 252 Cb 0.63 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 2bnp h TRP 252 CO -0.09 1.39 0.43 -0.09 -3.56 0.00 0.00 178.44 176.51 2bnp h ARG 253 N 0.06 0.93 -0.08 0.49 2.43 -0.74 0.19 114.38 117.67 2bnp h ARG 253 Ca -0.27 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.66 2bnp h ARG 253 Cb 2.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 2bnp h ARG 253 CO 0.14 0.66 -0.65 -1.49 -1.51 0.00 0.00 179.97 177.11 2bnp h TRP 254 N 0.94 0.40 0.03 2.20 6.55 -1.30 0.11 115.95 124.87 2bnp h TRP 254 Ca 0.25 -0.16 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 2bnp h TRP 254 Cb -0.05 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 2bnp h TRP 254 CO -0.02 0.87 -0.01 1.15 -1.05 0.00 0.00 178.44 179.38 2bnp h THR 255 N 0.22 1.43 0.00 1.49 2.02 -1.03 -3.41 112.91 113.63 2bnp h THR 255 Ca -0.01 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.48 2bnp h THR 255 Cb 1.19 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2bnp h THR 255 CO 0.11 0.41 -0.02 1.15 0.37 0.00 0.00 175.52 177.54 2bnp n MET 256 N -4.75 1.84 -0.27 6.66 0.00 0.65 -5.03 117.12 116.22 2bnp n MET 256 Ca -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 57.70 56.35 2bnp n MET 256 Cb 0.35 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 32.70 2bnp n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bnp n GLY 257 N -0.41 1.30 3.44 3.17 0.00 0.03 -4.99 105.19 107.72 2bnp n GLY 257 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2bnp n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bnp s PHE 258 N -2.85 -0.44 0.26 1.61 -0.71 -1.25 -4.92 117.98 109.68 2bnp s PHE 258 Ca 0.00 0.19 -0.06 0.00 -1.04 0.00 0.00 56.93 56.02 2bnp s PHE 258 Cb 0.00 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 2bnp s PHE 258 CO 0.00 -0.86 0.36 0.54 -1.34 0.00 0.00 175.22 173.92 2bnp s ASN 259 N -2.78 0.32 0.26 1.98 4.22 -1.26 -3.51 114.94 114.17 2bnp s ASN 259 Ca 0.02 -1.25 0.03 0.00 -2.14 0.00 0.00 52.86 49.52 2bnp s ASN 259 Cb -0.01 0.54 0.03 0.00 1.28 0.00 0.00 41.25 43.09 2bnp s ASN 259 CO -0.11 -1.08 0.23 0.00 -2.04 0.00 0.00 177.10 174.10 2bnp n ALA 260 N -0.40 0.44 -2.60 3.54 0.00 -1.26 -5.06 120.51 115.17 2bnp n ALA 260 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.11 2bnp n ALA 260 Cb 0.63 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 20.44 2bnp n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2bnp s THR 261 N -1.18 1.35 0.20 0.00 -4.23 -1.26 -4.77 115.64 105.76 2bnp s THR 261 Ca 0.17 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2bnp s THR 261 Cb -0.01 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2bnp s THR 261 CO 0.11 0.00 1.57 -0.03 -0.54 0.00 0.00 174.62 175.73 2bnp h MET 262 N 1.05 0.66 0.05 3.99 4.05 -1.92 -2.08 114.93 120.74 2bnp h MET 262 Ca -0.41 -0.33 -0.13 0.00 -0.28 0.00 0.00 59.70 58.55 2bnp h MET 262 Cb 1.31 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.13 2bnp h MET 262 CO 0.66 0.94 -0.55 1.49 0.23 0.00 0.00 176.91 179.68 2bnp h GLU 263 N 0.55 0.28 -0.03 0.39 4.81 -1.94 -3.37 114.58 115.26 2bnp h GLU 263 Ca 0.05 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2bnp h GLU 263 Cb 0.90 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2bnp h GLU 263 CO 0.08 1.11 -0.11 0.78 -0.73 0.00 0.00 179.01 180.14 2bnp h GLY 264 N -0.38 0.05 1.89 1.92 0.00 -1.91 -1.65 103.07 102.99 2bnp h GLY 264 Ca -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 2bnp h GLY 264 CO 0.11 0.03 -0.44 1.19 0.00 0.00 0.00 176.54 177.42 2bnp h ILE 265 N 0.05 1.32 0.00 2.60 6.09 -1.53 -1.36 117.51 124.68 2bnp h ILE 265 Ca 0.01 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.94 2bnp h ILE 265 Cb 0.23 1.78 0.00 0.00 0.47 0.00 0.00 36.82 39.30 2bnp h ILE 265 CO 0.02 0.46 0.00 0.45 -3.07 0.00 0.00 178.15 176.00 2bnp h HIS 266 N 0.10 0.00 0.11 2.19 3.86 -1.48 -0.74 115.15 119.19 2bnp h HIS 266 Ca 0.01 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.96 2bnp h HIS 266 Cb 0.82 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.32 2bnp h HIS 266 CO 0.01 0.00 -1.07 0.00 0.86 0.00 0.00 177.93 177.73 2bnp h ARG 267 N 0.00 0.54 -0.92 2.45 3.08 -1.26 -2.41 114.38 115.85 2bnp h ARG 267 Ca 0.00 -0.72 0.13 0.00 0.07 0.00 0.00 59.98 59.46 2bnp h ARG 267 Cb 0.55 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 2bnp h ARG 267 CO 0.00 1.31 0.54 -1.49 -1.07 0.00 0.00 179.97 179.27 2bnp h TRP 268 N 0.10 0.97 -0.10 3.04 4.06 -1.07 -2.71 115.95 120.24 2bnp h TRP 268 Ca -0.16 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 2bnp h TRP 268 Cb 1.77 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 29.64 2bnp h TRP 268 CO 0.13 0.32 -0.07 0.00 -3.56 0.00 0.00 178.44 175.27 2bnp h ALA 269 N 1.54 0.14 -0.07 1.49 0.00 -1.12 -1.15 119.26 120.09 2bnp h ALA 269 Ca 0.48 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2bnp h ALA 269 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2bnp h ALA 269 CO -0.31 -0.06 -0.49 0.97 0.00 0.00 0.00 179.25 179.36 2bnp h ILE 270 N -0.18 1.35 0.15 0.00 2.10 -1.35 -2.53 117.51 117.05 2bnp h ILE 270 Ca 0.02 -1.71 -0.23 0.00 1.08 0.00 0.00 64.86 64.01 2bnp h ILE 270 Cb 0.56 1.84 0.03 0.00 -1.09 0.00 0.00 36.82 38.15 2bnp h ILE 270 CO 0.02 0.51 -1.01 -0.50 -1.08 0.00 0.00 178.15 176.09 2bnp h TRP 271 N 0.15 0.72 -0.82 2.19 4.06 -1.51 -2.10 115.95 118.64 2bnp h TRP 271 Ca 0.01 -0.50 0.15 0.00 2.06 0.00 0.00 58.89 60.60 2bnp h TRP 271 Cb 0.93 -0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 28.95 2bnp h TRP 271 CO 0.01 1.38 0.39 1.98 -3.56 0.00 0.00 178.44 178.64 2bnp h MET 272 N -0.13 0.54 0.12 0.49 4.05 -1.10 -1.18 114.93 117.73 2bnp h MET 272 Ca -0.17 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.06 2bnp h MET 272 Cb 1.77 -0.12 0.02 0.00 -0.80 0.00 0.00 31.60 32.46 2bnp h MET 272 CO 0.19 0.36 -0.72 0.00 0.23 0.00 0.00 176.91 176.97 2bnp h ALA 273 N 1.56 -0.06 -0.86 0.39 0.00 -1.52 -3.28 119.26 115.48 2bnp h ALA 273 Ca 0.45 -0.69 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2bnp h ALA 273 Cb 0.66 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2bnp h ALA 273 CO -0.38 0.34 0.56 0.28 0.00 0.00 0.00 179.25 180.05 2bnp h VAL 274 N -0.47 1.05 0.00 0.00 2.07 -1.28 -2.57 116.25 115.05 2bnp h VAL 274 Ca -0.13 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2bnp h VAL 274 Cb 1.54 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2bnp h VAL 274 CO 0.12 0.18 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 2bnp h LEU 275 N 0.96 0.00 0.71 2.57 3.38 -1.29 -1.70 115.31 119.94 2bnp h LEU 275 Ca 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 2bnp h LEU 275 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bnp h LEU 275 CO -0.14 0.00 -0.40 0.58 0.09 0.00 0.00 178.44 178.58 2bnp h VAL 276 N 0.00 0.19 0.00 1.22 2.07 -1.52 -2.59 116.25 115.63 2bnp h VAL 276 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2bnp h VAL 276 Cb 0.42 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2bnp h VAL 276 CO 0.00 0.00 -0.80 0.71 0.02 0.00 0.00 177.57 177.50 2bnp h THR 277 N -1.03 0.77 0.00 2.57 1.35 -1.65 -2.59 112.91 112.34 2bnp h THR 277 Ca -0.09 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2bnp h THR 277 Cb 0.81 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2bnp h THR 277 CO 0.12 0.44 -0.00 0.25 -0.25 0.00 0.00 175.52 176.07 2bnp h LEU 278 N 0.00 -0.00 -0.66 3.87 5.85 -1.39 -0.53 115.31 122.44 2bnp h LEU 278 Ca -0.05 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 2bnp h LEU 278 Cb 1.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2bnp h LEU 278 CO 0.06 0.31 -0.47 0.71 -0.34 0.00 0.00 178.44 178.71 2bnp h THR 279 N -0.31 1.32 -0.38 1.05 1.35 -1.56 -2.90 112.91 111.47 2bnp h THR 279 Ca -0.00 -1.67 -0.09 0.00 -0.55 0.00 0.00 66.41 64.10 2bnp h THR 279 Cb 0.31 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2bnp h THR 279 CO 0.00 0.52 -0.10 1.23 -0.25 0.00 0.00 175.52 176.92 2bnp h GLY 280 N 1.12 0.79 0.59 5.82 0.00 -1.37 -1.10 103.07 108.93 2bnp h GLY 280 Ca 0.02 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 46.75 2bnp h GLY 280 CO 0.09 0.61 0.16 -1.33 0.00 0.00 0.00 176.54 176.06 2bnp h GLY 281 N 0.53 0.59 0.98 4.60 0.00 -1.12 -1.17 103.07 107.48 2bnp h GLY 281 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2bnp h GLY 281 CO 0.04 0.02 0.27 -2.22 0.00 0.00 0.00 176.54 174.66 2bnp h ILE 282 N 0.33 1.18 -0.51 2.60 2.04 -1.27 -0.67 117.51 121.21 2bnp h ILE 282 Ca 0.21 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2bnp h ILE 282 Cb 0.21 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2bnp h ILE 282 CO -0.21 0.19 0.00 1.23 0.00 0.00 0.00 178.15 179.36 2bnp h GLY 283 N 0.68 0.98 1.08 5.37 0.00 -0.75 -1.54 103.07 108.88 2bnp h GLY 283 Ca 0.18 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 2bnp h GLY 283 CO -0.03 0.66 0.02 -2.22 0.00 0.00 0.00 176.54 174.98 2bnp h ILE 284 N 0.77 1.27 -0.24 2.60 1.08 -1.19 -2.99 117.51 118.81 2bnp h ILE 284 Ca 0.15 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.45 2bnp h ILE 284 Cb 0.52 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2bnp h ILE 284 CO 0.03 0.41 -0.04 0.25 -0.69 0.00 0.00 178.15 178.10 2bnp h LEU 285 N 0.97 0.34 0.00 1.44 5.85 -0.66 -2.14 115.31 121.11 2bnp h LEU 285 Ca 0.18 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2bnp h LEU 285 Cb 0.53 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2bnp h LEU 285 CO 0.03 0.43 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.28 2bnp h LEU 286 N 0.35 0.00 -9.35 2.25 3.38 -1.28 -3.41 115.31 107.25 2bnp h LEU 286 Ca 0.08 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.46 2bnp h LEU 286 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2bnp h LEU 286 CO 0.01 0.02 0.64 -0.44 0.09 0.00 0.00 178.44 178.76 2bnp s SER 287 N -4.96 7.09 0.00 -0.43 0.01 -0.81 -1.98 113.70 112.63 2bnp s SER 287 Ca 0.08 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2bnp s SER 287 Cb 0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2bnp s SER 287 CO 0.66 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2bnp n GLY 288 N 3.29 1.89 0.19 3.44 0.00 -0.00 -4.69 105.19 109.31 2bnp n GLY 288 Ca 0.10 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 2bnp n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bnp h THR 289 N 0.00 1.29 0.00 2.61 1.35 -1.79 -3.42 112.91 112.94 2bnp h THR 289 Ca 0.00 -2.29 -0.03 0.00 -0.55 0.00 0.00 66.41 63.54 2bnp h THR 289 Cb 0.00 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2bnp h THR 289 CO 0.00 0.71 -1.11 0.52 -0.25 0.00 0.00 175.52 175.38 2bnp n VAL 290 N -3.84 0.11 -3.99 6.82 0.31 -1.06 -5.03 118.33 111.66 2bnp n VAL 290 Ca -0.11 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 63.88 2bnp n VAL 290 Cb 0.90 -0.60 -0.17 0.00 -0.91 0.00 0.00 33.84 33.06 2bnp n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2bnp s VAL 291 N -2.04 1.44 0.01 2.52 1.01 -0.84 -5.00 120.40 117.51 2bnp s VAL 291 Ca -0.03 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.50 2bnp s VAL 291 Cb 0.01 -1.37 -0.16 0.00 0.00 0.00 0.00 36.38 34.86 2bnp s VAL 291 CO 0.05 0.43 1.14 0.44 0.00 0.00 0.00 175.10 177.16 2bnp h ASP 292 N 8.08 0.00 -2.66 3.32 3.32 -1.88 0.03 116.42 126.64 2bnp h ASP 292 Ca -0.36 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.38 2bnp h ASP 292 Cb 1.13 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 2bnp h ASP 292 CO 0.50 0.87 -0.62 0.21 -1.72 0.00 0.00 179.24 178.48 2bnp s ASN 293 N -6.45 1.22 0.04 6.45 3.84 -1.26 -4.20 114.94 114.58 2bnp s ASN 293 Ca 0.00 -0.08 -0.15 0.00 0.21 0.00 0.00 52.86 52.84 2bnp s ASN 293 Cb 0.09 0.37 -0.34 0.00 -0.55 0.00 0.00 41.25 40.82 2bnp s ASN 293 CO 0.81 -0.31 1.03 -0.50 -2.79 0.00 0.00 177.10 175.34 2bnp h TRP 294 N 8.32 0.99 -0.34 0.43 4.06 -1.24 -1.29 115.95 126.89 2bnp h TRP 294 Ca -0.16 -0.70 0.03 0.00 2.06 0.00 0.00 58.89 60.12 2bnp h TRP 294 Cb 1.14 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 2bnp h TRP 294 CO 0.20 1.54 0.14 -0.92 -3.56 0.00 0.00 178.44 175.84 2bnp h TYR 295 N 0.18 0.26 -0.22 0.49 3.20 -1.45 0.25 116.97 119.67 2bnp h TYR 295 Ca -0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2bnp h TYR 295 Cb 2.11 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.31 2bnp h TYR 295 CO 0.12 0.12 0.10 0.28 -1.64 0.00 0.00 178.16 177.15 2bnp h VAL 296 N 0.30 1.14 -0.68 1.81 2.07 -1.83 -2.46 116.25 116.61 2bnp h VAL 296 Ca 0.15 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2bnp h VAL 296 Cb 0.09 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bnp h VAL 296 CO -0.13 0.14 0.41 -0.25 0.02 0.00 0.00 177.57 177.76 2bnp h TRP 297 N 0.22 0.89 -0.35 1.57 7.01 -1.02 -2.10 115.95 122.15 2bnp h TRP 297 Ca 0.07 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 2bnp h TRP 297 Cb 0.13 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2bnp h TRP 297 CO -0.02 0.59 -0.05 0.78 -2.79 0.00 0.00 178.44 176.95 2bnp h GLY 298 N 0.96 0.62 2.00 2.65 0.00 -0.59 -2.45 103.07 106.26 2bnp h GLY 298 Ca 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2bnp h GLY 298 CO -0.05 0.37 0.00 -1.06 0.00 0.00 0.00 176.54 175.80 2bnp n GLN 299 N -4.24 0.22 -0.12 4.80 1.13 -0.79 -3.72 117.38 114.66 2bnp n GLN 299 Ca 0.01 0.28 -0.24 0.00 -1.94 0.00 0.00 57.00 55.12 2bnp n GLN 299 Cb 0.29 -1.81 -0.09 0.00 0.11 0.00 0.00 30.24 28.73 2bnp n GLN 299 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2bnp n ASN 300 N -2.20 1.91 0.00 1.08 5.03 -1.16 -4.98 115.26 114.94 2bnp n ASN 300 Ca 0.04 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.88 2bnp n ASN 300 Cb 0.35 -0.86 0.00 0.00 -1.02 0.00 0.00 39.78 38.24 2bnp n ASN 300 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2bnp n HIS 301 N -4.36 0.00 0.00 3.10 8.25 -0.93 -5.15 115.22 116.13 2bnp n HIS 301 Ca -0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 2bnp n HIS 301 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2bnp n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39