#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s ILE 3 N 0.00 3.04 0.17 0.52 -4.36 -1.26 -5.04 121.20 114.26 2wrn s ILE 3 Ca 0.00 0.38 0.09 0.00 -0.26 0.00 0.00 60.65 60.87 2wrn s ILE 3 Cb 0.00 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 2wrn s ILE 3 CO 0.00 -0.40 -0.14 0.42 0.24 0.00 0.00 174.94 175.06 2wrn s THR 4 N -2.66 2.95 0.00 8.37 -4.23 -1.26 -4.90 115.64 113.91 2wrn s THR 4 Ca 0.64 -1.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2wrn s THR 4 Cb -0.20 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2wrn s THR 4 CO 0.52 -0.06 0.62 0.29 -0.54 0.00 0.00 174.62 175.45 2wrn n LYS 5 N 0.27 0.27 0.04 3.99 5.02 -1.26 0.15 118.16 126.64 2wrn n LYS 5 Ca -0.12 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2wrn n LYS 5 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2wrn n LYS 5 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wrn n GLU 6 N 2.15 0.00 0.07 1.97 1.02 -1.26 -4.48 120.64 120.11 2wrn n GLU 6 Ca 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.11 2wrn n GLU 6 Cb 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.45 2wrn n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2wrn h GLU 7 N 0.00 0.00 0.37 3.49 4.81 -1.17 -1.70 114.58 120.38 2wrn h GLU 7 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2wrn h GLU 7 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2wrn h GLU 7 CO 0.00 0.90 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.78 2wrn h LYS 8 N 0.00 -0.47 -0.54 1.92 3.64 0.11 -3.19 116.57 118.05 2wrn h LYS 8 Ca -0.03 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2wrn h LYS 8 Cb 1.73 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.58 2wrn h LYS 8 CO 0.12 -0.32 -0.46 1.96 -2.27 0.00 0.00 179.45 178.48 2wrn h GLN 9 N -1.05 -0.18 0.00 1.90 1.08 -1.70 -1.20 115.11 113.96 2wrn h GLN 9 Ca -0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2wrn h GLN 9 Cb 0.38 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2wrn h GLN 9 CO 0.08 -0.12 0.00 1.17 -0.95 0.00 0.00 178.83 179.01 2wrn n LYS 10 N -4.85 0.00 -0.04 1.46 3.00 -0.64 0.16 118.16 117.26 2wrn n LYS 10 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.21 2wrn n LYS 10 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.25 2wrn n LYS 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrn h VAL 11 N 0.00 0.30 0.00 3.15 2.07 -1.21 -2.61 116.25 117.95 2wrn h VAL 11 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wrn h VAL 11 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2wrn h VAL 11 CO 0.00 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.21 2wrn n ILE 12 N -5.40 0.00 -0.29 4.57 5.41 0.42 -0.25 119.36 123.82 2wrn n ILE 12 Ca -0.02 1.50 0.07 0.00 1.00 0.00 0.00 62.75 65.30 2wrn n ILE 12 Cb 0.32 -2.05 0.16 0.00 -0.71 0.00 0.00 39.64 37.35 2wrn n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrn n GLN 13 N -2.88 -0.07 -0.01 0.38 6.02 -1.03 0.82 117.38 120.61 2wrn n GLN 13 Ca 0.00 1.27 -0.09 0.00 -0.01 0.00 0.00 57.00 58.17 2wrn n GLN 13 Cb 0.00 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 29.29 2wrn n GLN 13 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2wrn h GLU 14 N 0.00 -0.14 -1.06 -1.09 4.57 -0.23 -2.92 114.58 113.70 2wrn h GLU 14 Ca 0.43 0.01 -0.48 0.00 -1.18 0.00 0.00 59.36 58.14 2wrn h GLU 14 Cb 0.74 0.03 -0.25 0.00 -0.16 0.00 0.00 28.75 29.11 2wrn h GLU 14 CO -0.83 -0.10 0.61 1.19 -1.18 0.00 0.00 179.01 178.70 2wrn n PHE 15 N -5.28 2.60 -2.26 0.92 3.01 0.24 -4.95 117.46 111.74 2wrn n PHE 15 Ca -0.03 -1.99 -0.27 0.00 1.01 0.00 0.00 57.45 56.18 2wrn n PHE 15 Cb 0.20 -0.99 0.14 0.00 -0.01 0.00 0.00 39.48 38.82 2wrn n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wrn s ALA 16 N -2.88 3.01 0.00 4.37 0.00 -0.73 -3.53 121.76 121.99 2wrn s ALA 16 Ca 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2wrn s ALA 16 Cb 0.41 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2wrn s ALA 16 CO 0.06 -1.88 0.76 0.54 0.00 0.00 0.00 175.76 175.23 2wrn n ARG 17 N -3.26 1.10 0.00 0.00 5.12 -1.26 -4.99 116.66 113.38 2wrn n ARG 17 Ca 0.15 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.05 2wrn n ARG 17 Cb 0.60 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 2wrn n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2wrn n PHE 18 N -0.26 0.00 -1.51 -1.55 1.16 -1.26 -5.10 117.46 108.93 2wrn n PHE 18 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 57.45 55.06 2wrn n PHE 18 Cb 0.14 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.96 2wrn n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2wrn n PRO 19 N 0.00 0.55 0.00 3.97 -0.02 -1.26 -2.98 135.00 135.26 2wrn n PRO 19 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2wrn n PRO 19 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2wrn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrn n GLY 20 N 1.86 1.93 3.52 -1.23 0.00 -1.26 -5.11 105.19 104.90 2wrn n GLY 20 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2wrn n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wrn s ASP 21 N -2.00 4.56 0.00 1.61 3.68 -1.16 -4.95 116.67 118.40 2wrn s ASP 21 Ca 0.00 -0.10 0.00 0.00 2.13 0.00 0.00 52.55 54.58 2wrn s ASP 21 Cb 0.00 -1.37 0.00 0.00 -1.45 0.00 0.00 42.92 40.10 2wrn s ASP 21 CO 0.00 0.28 0.00 0.35 0.13 0.00 0.00 175.17 175.93 2wrn n THR 22 N 2.76 0.00 -3.74 1.71 -2.24 -1.26 -4.93 114.28 106.57 2wrn n THR 22 Ca -0.18 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2wrn n THR 22 Cb 0.53 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2wrn n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrn n GLY 23 N 0.52 4.93 0.07 3.38 0.00 -1.26 -4.85 105.19 107.98 2wrn n GLY 23 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2wrn n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wrn n SER 24 N -1.14 -0.91 -0.09 1.61 2.88 -1.26 -4.61 113.62 110.10 2wrn n SER 24 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2wrn n SER 24 Cb 0.00 0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 2wrn n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wrn n THR 25 N 1.48 -0.13 -0.02 2.46 -2.24 -1.26 -0.82 114.28 113.75 2wrn n THR 25 Ca 0.00 0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2wrn n THR 25 Cb 0.00 -0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2wrn n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wrn n GLU 26 N -4.28 -0.02 0.00 -0.78 -0.58 -1.26 -2.80 120.64 110.92 2wrn n GLU 26 Ca 0.01 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 2wrn n GLU 26 Cb 0.07 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2wrn n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wrn n VAL 27 N -2.98 0.00 0.00 2.62 0.31 -0.00 -3.52 118.33 114.76 2wrn n VAL 27 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.27 2wrn n VAL 27 Cb 0.01 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 2wrn n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrn n GLN 28 N -0.52 0.00 0.00 5.55 6.02 -1.21 0.14 117.38 127.36 2wrn n GLN 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wrn n GLN 28 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wrn n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wrn n VAL 29 N -3.73 0.00 -0.26 5.09 0.31 -1.12 0.67 118.33 119.29 2wrn n VAL 29 Ca 0.00 1.27 0.31 0.00 -0.01 0.00 0.00 64.34 65.91 2wrn n VAL 29 Cb 0.00 -1.99 0.71 0.00 -0.91 0.00 0.00 33.84 31.65 2wrn n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrn h ALA 30 N -1.69 2.90 -0.20 3.52 0.00 -0.34 0.66 119.26 124.11 2wrn h ALA 30 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wrn h ALA 30 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wrn h ALA 30 CO 0.00 -1.22 -0.37 1.25 0.00 0.00 0.00 179.25 178.91 2wrn h LEU 31 N 0.05 0.45 0.12 0.00 5.85 0.73 -2.55 115.31 119.95 2wrn h LEU 31 Ca 0.51 -0.18 -0.22 0.00 0.84 0.00 0.00 57.88 58.83 2wrn h LEU 31 Cb 1.94 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.85 2wrn h LEU 31 CO -0.04 0.79 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.72 2wrn h LEU 32 N 0.36 0.38 -1.01 2.25 3.38 0.57 -3.33 115.31 117.92 2wrn h LEU 32 Ca 0.04 -0.89 0.19 0.00 0.09 0.00 0.00 57.88 57.30 2wrn h LEU 32 Cb 0.82 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 2wrn h LEU 32 CO 0.07 1.48 0.61 0.74 0.09 0.00 0.00 178.44 181.43 2wrn h THR 33 N -0.41 0.72 -0.57 0.22 2.02 -0.42 0.22 112.91 114.68 2wrn h THR 33 Ca -0.22 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2wrn h THR 33 Cb 1.64 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2wrn h THR 33 CO 0.08 0.14 0.22 0.25 0.37 0.00 0.00 175.52 176.58 2wrn h LEU 34 N 0.78 0.80 -0.36 2.58 5.85 -1.61 -0.91 115.31 122.45 2wrn h LEU 34 Ca 0.57 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 2wrn h LEU 34 Cb 0.87 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2wrn h LEU 34 CO -0.37 0.76 0.22 0.03 -0.34 0.00 0.00 178.44 178.74 2wrn h ARG 35 N 0.79 0.49 0.77 1.25 3.08 -0.82 -1.29 114.38 118.65 2wrn h ARG 35 Ca 0.19 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2wrn h ARG 35 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wrn h ARG 35 CO -0.01 0.38 -0.43 0.82 -1.07 0.00 0.00 179.97 179.65 2wrn h ILE 36 N 0.47 0.00 -1.14 2.04 2.04 -0.52 -0.66 117.51 119.74 2wrn h ILE 36 Ca 0.13 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.31 2wrn h ILE 36 Cb 0.01 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.99 2wrn h ILE 36 CO -0.02 0.00 0.74 0.78 0.00 0.00 0.00 178.15 179.65 2wrn h ASN 37 N -1.11 0.34 0.45 1.72 -0.26 -1.13 1.76 115.58 117.36 2wrn h ASN 37 Ca -0.10 0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2wrn h ASN 37 Cb 0.87 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 2wrn h ASN 37 CO 0.13 0.00 -0.22 0.03 -1.06 0.00 0.00 177.43 176.31 2wrn h ARG 38 N 0.27 -0.59 -0.43 0.81 2.47 -0.54 -2.68 114.38 113.69 2wrn h ARG 38 Ca 0.66 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.50 2wrn h ARG 38 Cb 1.89 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 30.27 2wrn h ARG 38 CO -0.30 -0.39 -0.08 1.25 0.56 0.00 0.00 179.97 181.01 2wrn h LEU 39 N -0.61 -0.34 -0.86 3.04 6.46 0.12 0.39 115.31 123.51 2wrn h LEU 39 Ca -0.06 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2wrn h LEU 39 Cb 0.47 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2wrn h LEU 39 CO 0.10 -0.12 0.39 -1.28 -0.62 0.00 0.00 178.44 176.91 2wrn h SER 40 N 0.03 0.00 0.00 1.25 0.87 0.25 1.37 113.55 117.32 2wrn h SER 40 Ca 0.21 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.43 2wrn h SER 40 Cb 0.32 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 2wrn h SER 40 CO -0.42 0.00 -2.29 1.21 -0.53 0.00 0.00 176.83 174.80 2wrn n GLU 41 N -2.13 0.89 -0.08 2.24 4.07 0.04 -3.98 120.64 121.70 2wrn n GLU 41 Ca -0.01 0.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.00 2wrn n GLU 41 Cb 0.41 -1.47 -0.05 0.00 -0.06 0.00 0.00 31.44 30.27 2wrn n GLU 41 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wrn h HIS 42 N 0.00 0.47 -0.18 4.31 2.76 0.25 -2.81 115.15 119.95 2wrn h HIS 42 Ca -0.51 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 57.54 2wrn h HIS 42 Cb 2.06 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.89 2wrn h HIS 42 CO 0.01 0.62 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.15 2wrn h LEU 43 N 0.17 0.24 -1.77 0.26 3.38 -0.80 -2.36 115.31 114.44 2wrn h LEU 43 Ca 0.06 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2wrn h LEU 43 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wrn h LEU 43 CO 0.02 0.33 0.30 0.50 0.09 0.00 0.00 178.44 179.67 2wrn h LYS 44 N 0.26 0.27 0.00 1.13 3.64 -1.62 -2.15 116.57 118.09 2wrn h LYS 44 Ca 0.06 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2wrn h LYS 44 Cb 0.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2wrn h LYS 44 CO 0.01 0.18 -0.87 0.28 -2.27 0.00 0.00 179.45 176.78 2wrn n VAL 45 N -4.47 1.47 -2.77 2.00 0.31 -0.99 -4.47 118.33 109.42 2wrn n VAL 45 Ca 0.06 0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 64.06 2wrn n VAL 45 Cb 0.31 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.02 2wrn n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wrn n HIS 46 N -4.53 3.29 -0.12 3.52 8.25 -0.93 -4.77 115.22 119.93 2wrn n HIS 46 Ca -0.19 -2.94 -0.06 0.00 -0.26 0.00 0.00 57.72 54.27 2wrn n HIS 46 Cb 0.46 -1.73 0.12 0.00 1.12 0.00 0.00 29.99 29.96 2wrn n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2wrn h LYS 47 N 5.95 0.83 0.00 -0.41 1.57 -1.61 -2.17 116.57 120.74 2wrn h LYS 47 Ca 0.29 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wrn h LYS 47 Cb 0.69 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wrn h LYS 47 CO 1.40 0.88 0.00 1.63 -0.57 0.00 0.00 179.45 182.79 2wrn n LYS 48 N -4.18 0.64 -2.70 3.15 4.76 -1.26 -4.47 118.16 114.10 2wrn n LYS 48 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2wrn n LYS 48 Cb 0.34 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2wrn n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wrn s ASP 49 N -1.95 6.52 -0.03 4.39 2.15 -0.82 -4.89 116.67 122.06 2wrn s ASP 49 Ca 0.28 -1.61 -0.17 0.00 0.43 0.00 0.00 52.55 51.48 2wrn s ASP 49 Cb 0.13 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 2wrn s ASP 49 CO 0.22 -1.36 0.71 0.45 -0.17 0.00 0.00 175.17 175.02 2wrn h HIS 50 N 9.46 -0.57 -0.97 -5.34 3.86 -1.87 -3.37 115.15 116.36 2wrn h HIS 50 Ca 0.15 -0.01 0.31 0.00 -1.16 0.00 0.00 60.37 59.67 2wrn h HIS 50 Cb 1.02 0.19 -0.16 0.00 1.06 0.00 0.00 27.41 29.52 2wrn h HIS 50 CO 1.23 -0.35 0.38 0.45 0.86 0.00 0.00 177.93 180.49 2wrn h HIS 51 N -1.15 0.58 -0.76 2.45 3.86 -1.98 0.41 115.15 118.56 2wrn h HIS 51 Ca -0.06 0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2wrn h HIS 51 Cb 0.47 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.78 2wrn h HIS 51 CO 0.00 -0.31 0.41 0.77 0.86 0.00 0.00 177.93 179.67 2wrn h SER 52 N 0.16 0.57 -0.04 2.45 0.02 -2.00 -2.76 113.55 111.94 2wrn h SER 52 Ca 0.69 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.70 2wrn h SER 52 Cb 1.59 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2wrn h SER 52 CO -0.72 0.33 -0.03 1.57 -1.14 0.00 0.00 176.83 176.85 2wrn n HIS 53 N -4.80 -0.02 -0.16 3.45 -0.00 0.14 -0.80 115.22 113.04 2wrn n HIS 53 Ca 0.12 0.05 0.12 0.00 0.46 0.00 0.00 57.72 58.47 2wrn n HIS 53 Cb 0.27 -0.49 0.22 0.00 -0.12 0.00 0.00 29.99 29.87 2wrn n HIS 53 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2wrn n ARG 54 N -3.07 -0.03 0.22 1.57 0.00 -1.04 0.31 116.66 114.61 2wrn n ARG 54 Ca 0.00 0.67 -0.15 0.00 -0.00 0.00 0.00 57.85 58.37 2wrn n ARG 54 Cb 0.01 -1.15 -0.08 0.00 0.00 0.00 0.00 32.46 31.24 2wrn n ARG 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2wrn h GLY 55 N 0.00 -0.56 -0.88 5.14 0.00 -1.05 -3.06 103.07 102.65 2wrn h GLY 55 Ca 0.36 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.99 2wrn h GLY 55 CO -0.39 -0.21 -0.54 -2.00 0.00 0.00 0.00 176.54 173.40 2wrn h LEU 56 N -0.74 -1.95 -0.69 3.11 5.85 0.50 0.14 115.31 121.54 2wrn h LEU 56 Ca -0.06 0.31 0.14 0.00 0.84 0.00 0.00 57.88 59.12 2wrn h LEU 56 Cb 0.51 0.88 -0.13 0.00 0.37 0.00 0.00 40.66 42.29 2wrn h LEU 56 CO 0.09 -0.27 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.73 2wrn h LEU 57 N -0.07 -0.55 -0.68 2.25 3.38 -1.44 1.63 115.31 119.83 2wrn h LEU 57 Ca 0.18 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.36 2wrn h LEU 57 Cb 0.48 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2wrn h LEU 57 CO -0.89 -0.21 0.45 0.24 0.09 0.00 0.00 178.44 178.13 2wrn h MET 58 N 0.03 0.89 0.79 1.13 2.86 -0.71 0.22 114.93 120.13 2wrn h MET 58 Ca 0.34 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2wrn h MET 58 Cb 0.54 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2wrn h MET 58 CO -0.68 0.59 -0.38 0.52 1.06 0.00 0.00 176.91 178.02 2wrn h MET 59 N 0.92 -1.03 0.00 1.72 2.86 0.16 0.30 114.93 119.86 2wrn h MET 59 Ca 0.25 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2wrn h MET 59 Cb -0.10 0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2wrn h MET 59 CO -0.06 -0.67 0.00 0.28 1.06 0.00 0.00 176.91 177.52 2wrn n VAL 60 N -5.53 0.00 -0.31 -2.22 0.31 0.52 -0.26 118.33 110.84 2wrn n VAL 60 Ca -0.14 1.39 0.14 0.00 -0.01 0.00 0.00 64.34 65.72 2wrn n VAL 60 Cb 0.43 -1.92 0.32 0.00 -0.91 0.00 0.00 33.84 31.76 2wrn n VAL 60 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wrn h GLY 61 N 0.00 1.56 -0.41 2.92 0.00 -0.63 -0.77 103.07 105.74 2wrn h GLY 61 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.29 2wrn h GLY 61 CO 0.00 -0.31 -0.33 -1.61 0.00 0.00 0.00 176.54 174.29 2wrn h GLN 62 N 0.35 -0.15 -0.35 4.80 5.75 0.16 0.21 115.11 125.88 2wrn h GLN 62 Ca 0.58 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.17 2wrn h GLN 62 Cb 1.15 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.64 2wrn h GLN 62 CO -0.56 -0.10 -0.29 -0.09 -2.65 0.00 0.00 178.83 175.13 2wrn h ARG 63 N -0.16 -0.24 -0.04 1.69 2.43 -0.47 -0.71 114.38 116.88 2wrn h ARG 63 Ca 0.23 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2wrn h ARG 63 Cb 0.55 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2wrn h ARG 63 CO -0.68 -0.16 -0.21 -0.09 -1.51 0.00 0.00 179.97 177.32 2wrn h ARG 64 N -0.25 -0.23 0.00 0.20 2.43 -0.81 0.38 114.38 116.10 2wrn h ARG 64 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2wrn h ARG 64 Cb 0.51 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2wrn h ARG 64 CO -0.49 -0.15 0.66 0.00 -1.51 0.00 0.00 179.97 178.47 2wrn h ARG 65 N -0.24 0.00 0.00 0.20 3.08 0.27 1.16 114.38 118.85 2wrn h ARG 65 Ca 0.01 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.69 2wrn h ARG 65 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 2wrn h ARG 65 CO -0.16 0.00 -2.39 -0.11 -1.07 0.00 0.00 179.97 176.24 2wrn n LEU 66 N -2.07 1.51 -0.07 3.04 7.94 0.99 -3.88 117.00 124.45 2wrn n LEU 66 Ca -0.00 -0.07 0.14 0.00 -1.11 0.00 0.00 56.01 54.96 2wrn n LEU 66 Cb 0.66 -0.21 0.54 0.00 0.53 0.00 0.00 43.42 44.95 2wrn n LEU 66 CO 0.03 0.71 0.81 0.18 -1.11 0.00 0.00 177.39 178.00 2wrn n LEU 67 N -2.98 0.39 0.09 -1.96 4.77 0.17 -2.35 117.00 115.13 2wrn n LEU 67 Ca -0.38 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.64 2wrn n LEU 67 Cb 1.06 -0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.99 2wrn n LEU 67 CO 0.33 0.08 0.45 -0.09 -1.33 0.00 0.00 177.39 176.83 2wrn h ARG 68 N 0.36 0.23 -0.01 3.23 2.43 0.93 -1.43 114.38 120.10 2wrn h ARG 68 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2wrn h ARG 68 Cb 0.42 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2wrn h ARG 68 CO 0.00 0.79 -0.15 0.98 -1.51 0.00 0.00 179.97 180.08 2wrn n TYR 69 N -3.84 0.00 -0.09 2.20 9.36 -0.99 -3.75 117.16 120.05 2wrn n TYR 69 Ca -0.02 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.05 2wrn n TYR 69 Cb 0.64 -0.05 -0.08 0.00 -0.63 0.00 0.00 39.34 39.22 2wrn n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2wrn n LEU 70 N -0.02 2.70 0.23 2.98 7.94 -0.99 -3.05 117.00 126.79 2wrn n LEU 70 Ca 0.15 -0.04 0.16 0.00 -1.11 0.00 0.00 56.01 55.17 2wrn n LEU 70 Cb 0.40 -0.63 0.76 0.00 0.53 0.00 0.00 43.42 44.47 2wrn n LEU 70 CO 0.21 0.74 0.98 -0.61 -1.11 0.00 0.00 177.39 177.60 2wrn h GLN 71 N -0.13 0.00 0.00 1.96 4.15 -1.46 0.92 115.11 120.56 2wrn h GLN 71 Ca -0.43 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.99 2wrn h GLN 71 Cb 1.60 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.29 2wrn h GLN 71 CO -0.11 0.00 -0.04 -0.09 -1.93 0.00 0.00 178.83 176.66 2wrn h ARG 72 N 0.00 0.00 0.19 1.69 2.43 -1.72 -3.36 114.38 113.60 2wrn h ARG 72 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wrn h ARG 72 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2wrn h ARG 72 CO 0.00 0.08 -0.09 0.93 -1.51 0.00 0.00 179.97 179.38 2wrn h GLU 73 N -1.00 -0.24 -3.46 0.20 4.39 -1.42 -3.43 114.58 109.62 2wrn h GLU 73 Ca -0.00 0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.17 2wrn h GLU 73 Cb 0.12 0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 28.42 2wrn h GLU 73 CO -0.00 0.12 -0.76 0.34 -1.16 0.00 0.00 179.01 177.54 2wrn s ASP 74 N -5.30 3.44 0.57 1.42 3.68 0.30 -4.99 116.67 115.77 2wrn s ASP 74 Ca -0.14 -1.20 0.34 0.00 2.13 0.00 0.00 52.55 53.68 2wrn s ASP 74 Cb 0.02 -0.68 1.63 0.00 -1.45 0.00 0.00 42.92 42.44 2wrn s ASP 74 CO 0.58 -0.36 2.09 1.55 0.13 0.00 0.00 175.17 179.16 2wrn h PRO 75 N 8.20 0.00 0.23 4.34 0.13 -1.72 -3.26 132.00 139.93 2wrn h PRO 75 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2wrn h PRO 75 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2wrn h PRO 75 CO 0.40 0.05 -0.11 1.49 -0.23 0.00 0.00 178.00 179.60 2wrn h GLU 76 N 0.00 -0.30 -1.78 0.86 4.57 -1.93 -3.17 114.58 112.82 2wrn h GLU 76 Ca -0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2wrn h GLU 76 Cb 0.36 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2wrn h GLU 76 CO 0.01 -0.11 0.03 2.89 -1.18 0.00 0.00 179.01 180.64 2wrn n ARG 77 N -4.98 1.05 -0.00 1.92 1.85 -1.23 -1.59 116.66 113.68 2wrn n ARG 77 Ca -0.05 -0.11 -0.04 0.00 -1.00 0.00 0.00 57.85 56.65 2wrn n ARG 77 Cb 0.17 -1.04 -0.01 0.00 -1.05 0.00 0.00 32.46 30.52 2wrn n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2wrn n TYR 78 N 1.23 0.00 0.01 2.89 9.36 -1.23 -4.02 117.16 125.41 2wrn n TYR 78 Ca 0.02 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.13 2wrn n TYR 78 Cb 0.51 -0.17 -0.06 0.00 -0.63 0.00 0.00 39.34 39.00 2wrn n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wrn h ARG 79 N -0.24 0.05 -0.41 2.98 3.08 -1.43 0.27 114.38 118.68 2wrn h ARG 79 Ca -0.07 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.07 2wrn h ARG 79 Cb 0.60 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 2wrn h ARG 79 CO -0.04 0.03 -0.23 0.00 -1.07 0.00 0.00 179.97 178.66 2wrn h ALA 80 N 1.04 0.05 -3.00 0.04 0.00 -1.56 -1.70 119.26 114.13 2wrn h ALA 80 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wrn h ALA 80 Cb 0.02 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wrn h ALA 80 CO -0.03 -0.60 0.00 -0.11 0.00 0.00 0.00 179.25 178.51 2wrn n LEU 81 N -5.39 0.00 0.00 0.00 -0.00 -0.68 -2.14 117.00 108.78 2wrn n LEU 81 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2wrn n LEU 81 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2wrn n LEU 81 CO 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.49 2wrn n ILE 82 N -0.00 0.00 -0.20 1.96 0.00 -0.00 0.39 119.36 121.50 2wrn n ILE 82 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 62.75 62.70 2wrn n ILE 82 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 39.64 39.58 2wrn n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2wrn n GLU 83 N -1.17 -0.21 -1.01 9.51 2.13 -0.64 0.22 120.64 129.46 2wrn n GLU 83 Ca 0.00 1.14 -0.31 0.00 0.66 0.00 0.00 57.16 58.65 2wrn n GLU 83 Cb 0.00 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.00 2wrn n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wrn n LYS 84 N -4.10 2.43 0.00 5.31 5.02 0.16 -0.41 118.16 126.58 2wrn n LYS 84 Ca 0.01 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.52 2wrn n LYS 84 Cb 0.13 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 2wrn n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wrn n LEU 85 N 4.71 0.00 -1.96 -0.35 0.00 -0.02 -4.85 117.00 114.54 2wrn n LEU 85 Ca 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.55 2wrn n LEU 85 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2wrn n LEU 85 CO 0.81 0.00 0.10 0.61 0.00 0.00 0.00 177.39 178.91 2wrn n GLY 86 N 0.00 -0.60 0.00 -3.96 0.00 0.59 -5.06 105.19 96.16 2wrn n GLY 86 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wrn n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wrn n ILE 87 N -1.19 0.00 -2.06 -0.61 5.41 -1.24 -5.01 119.36 114.65 2wrn n ILE 87 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wrn n ILE 87 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 2wrn n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wrn n ARG 88 N 0.00 -4.16 0.00 0.38 5.12 -1.26 -4.87 116.66 111.87 2wrn n ARG 88 Ca 0.00 3.11 0.00 0.00 -1.93 0.00 0.00 57.85 59.03 2wrn n ARG 88 Cb 0.00 -3.85 0.00 0.00 -1.16 0.00 0.00 32.46 27.45 2wrn n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11