#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr5 h LYS 4 N 0.00 0.53 -0.60 -0.78 3.64 -2.05 -0.76 116.57 116.55 2nr5 h LYS 4 Ca 0.00 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 2nr5 h LYS 4 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2nr5 h LYS 4 CO 0.00 0.58 0.17 -0.22 -2.27 0.00 0.00 179.45 177.71 2nr5 h LYS 5 N 0.51 0.95 -0.54 1.90 3.64 -2.05 0.72 116.57 121.70 2nr5 h LYS 5 Ca 0.11 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 2nr5 h LYS 5 Cb 0.37 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2nr5 h LYS 5 CO 0.01 0.85 -0.04 0.93 -2.27 0.00 0.00 179.45 178.94 2nr5 h GLU 6 N 0.87 0.97 -0.47 1.90 5.08 -1.91 -0.79 114.58 120.22 2nr5 h GLU 6 Ca 0.19 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2nr5 h GLU 6 Cb 0.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2nr5 h GLU 6 CO -0.00 0.98 0.02 -0.09 -1.00 0.00 0.00 179.01 178.92 2nr5 h ARG 7 N 0.88 0.82 -0.72 2.33 1.12 -0.66 -1.54 114.38 116.61 2nr5 h ARG 7 Ca 0.15 -0.25 -0.07 0.00 -1.11 0.00 0.00 59.98 58.71 2nr5 h ARG 7 Cb 0.58 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.43 2nr5 h ARG 7 CO 0.03 0.86 0.19 0.82 -3.11 0.00 0.00 179.97 178.76 2nr5 h ILE 8 N 0.67 1.26 -0.80 1.20 2.04 -0.77 -1.43 117.51 119.69 2nr5 h ILE 8 Ca 0.14 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2nr5 h ILE 8 Cb 0.47 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2nr5 h ILE 8 CO 0.02 0.37 0.44 0.00 0.00 0.00 0.00 178.15 178.98 2nr5 h ALA 9 N 1.11 1.02 -0.25 1.87 0.00 -0.80 -0.09 119.26 122.12 2nr5 h ALA 9 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2nr5 h ALA 9 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nr5 h ALA 9 CO -0.00 0.52 0.16 0.82 0.00 0.00 0.00 179.25 180.75 2nr5 h ILE 10 N 1.10 1.05 -0.66 0.00 2.04 -1.03 -0.36 117.51 119.66 2nr5 h ILE 10 Ca 0.28 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 66.04 2nr5 h ILE 10 Cb 0.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2nr5 h ILE 10 CO -0.05 0.06 0.43 1.56 0.00 0.00 0.00 178.15 180.16 2nr5 h GLN 11 N 0.32 0.86 -0.43 2.37 4.20 -0.89 -2.70 115.11 118.84 2nr5 h GLN 11 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2nr5 h GLN 11 Cb -0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2nr5 h GLN 11 CO -0.03 0.57 0.28 0.00 -0.67 0.00 0.00 178.83 178.98 2nr5 h ARG 12 N 0.88 0.56 -0.20 1.46 3.08 -0.76 0.91 114.38 120.31 2nr5 h ARG 12 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2nr5 h ARG 12 Cb -0.09 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2nr5 h ARG 12 CO -0.06 0.38 0.00 -1.13 -1.07 0.00 0.00 179.97 178.09 2nr5 n SER 13 N -4.79 0.00 0.00 7.04 3.41 -0.17 -2.00 113.62 117.11 2nr5 n SER 13 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2nr5 n SER 13 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2nr5 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nr5 n ALA 15 N 0.46 0.00 -0.33 7.33 0.00 0.31 -2.84 120.51 125.44 2nr5 n ALA 15 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2nr5 n ALA 15 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 2nr5 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nr5 h GLU 16 N 0.00 1.15 -0.35 0.00 4.39 -1.68 -1.28 114.58 116.81 2nr5 h GLU 16 Ca 0.00 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2nr5 h GLU 16 Cb 0.00 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 2nr5 h GLU 16 CO 0.00 0.76 -0.39 0.93 -1.16 0.00 0.00 179.01 179.15 2nr5 h GLU 17 N 1.18 0.86 -0.39 2.33 5.08 -1.82 -0.57 114.58 121.25 2nr5 h GLU 17 Ca 0.38 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2nr5 h GLU 17 Cb 0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2nr5 h GLU 17 CO -0.12 1.09 0.16 0.00 -1.00 0.00 0.00 179.01 179.15 2nr5 h ALA 18 N 0.85 0.50 -0.65 3.43 0.00 -1.79 -1.32 119.26 120.28 2nr5 h ALA 18 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2nr5 h ALA 18 Cb 0.97 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2nr5 h ALA 18 CO 0.09 0.09 0.24 -0.07 0.00 0.00 0.00 179.25 179.61 2nr5 h LEU 19 N 0.48 0.88 -0.71 0.00 3.38 -1.06 -2.25 115.31 116.03 2nr5 h LEU 19 Ca 0.13 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2nr5 h LEU 19 Cb 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2nr5 h LEU 19 CO -0.01 0.80 0.46 1.23 0.09 0.00 0.00 178.44 181.01 2nr5 h GLY 20 N 1.03 1.01 0.87 0.83 0.00 -0.74 0.18 103.07 106.25 2nr5 h GLY 20 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2nr5 h GLY 20 CO -0.02 0.34 0.06 1.70 0.00 0.00 0.00 176.54 178.62 2nr5 h LYS 21 N 0.93 0.24 -0.82 4.80 1.63 -0.92 0.50 116.57 122.94 2nr5 h LYS 21 Ca 0.27 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2nr5 h LYS 21 Cb -0.07 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 2nr5 h LYS 21 CO -0.07 0.34 0.35 -0.07 -3.45 0.00 0.00 179.45 176.55 2nr5 h LEU 22 N 0.09 1.10 -1.05 5.20 3.38 -1.21 -1.74 115.31 121.09 2nr5 h LEU 22 Ca 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2nr5 h LEU 22 Cb 0.20 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2nr5 h LEU 22 CO -0.00 0.96 0.23 0.11 0.09 0.00 0.00 178.44 179.83 2nr5 h LYS 23 N 1.18 0.92 -0.82 1.13 1.57 -0.50 -2.24 116.57 117.81 2nr5 h LYS 23 Ca 0.28 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2nr5 h LYS 23 Cb 0.18 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2nr5 h LYS 23 CO -0.03 0.76 0.44 0.00 -0.57 0.00 0.00 179.45 180.05 2nr5 h ALA 24 N 1.36 1.22 -0.38 3.86 0.00 -0.38 -2.41 119.26 122.52 2nr5 h ALA 24 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nr5 h ALA 24 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2nr5 h ALA 24 CO -0.02 0.62 0.25 0.82 0.00 0.00 0.00 179.25 180.93 2nr5 h ILE 25 N 1.15 1.09 -0.93 0.00 2.04 -0.88 -2.89 117.51 117.09 2nr5 h ILE 25 Ca 0.29 -0.18 0.12 0.00 1.00 0.00 0.00 64.86 66.10 2nr5 h ILE 25 Cb 0.05 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 2nr5 h ILE 25 CO -0.04 0.09 0.56 -0.09 0.00 0.00 0.00 178.15 178.67 2nr5 h ARG 26 N 0.51 0.85 0.00 2.37 2.43 -0.94 -1.67 114.38 117.93 2nr5 h ARG 26 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2nr5 h ARG 26 Cb -0.05 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2nr5 h ARG 26 CO -0.03 0.56 0.00 1.96 -1.51 0.00 0.00 179.97 180.95 2nr5 h GLN 27 N 0.87 0.00 -0.01 0.20 1.08 -1.25 -2.79 115.11 113.21 2nr5 h GLN 27 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2nr5 h GLN 27 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2nr5 h GLN 27 CO -0.28 0.00 -0.30 1.28 -0.95 0.00 0.00 178.83 178.57 2nr5 n LEU 28 N -3.04 0.93 -4.69 1.46 4.77 -0.63 -4.78 117.00 111.02 2nr5 n LEU 28 Ca -0.02 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 2nr5 n LEU 28 Cb 0.12 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2nr5 n LEU 28 CO 0.21 0.18 1.42 0.00 -1.33 0.00 0.00 177.39 177.87 2nr5 n GLY 30 N 4.09 0.99 0.35 0.00 0.00 -1.26 -4.87 105.19 104.49 2nr5 n GLY 30 Ca 0.18 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 2nr5 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nr5 h ALA 31 N 0.00 1.09 -1.99 4.61 0.00 -1.48 -3.42 119.26 118.06 2nr5 h ALA 31 Ca -0.17 -0.16 -0.42 0.00 0.00 0.00 0.00 54.91 54.16 2nr5 h ALA 31 Cb 0.66 -0.34 0.19 0.00 0.00 0.00 0.00 17.79 18.30 2nr5 h ALA 31 CO 0.25 0.64 0.20 -1.83 0.00 0.00 0.00 179.25 178.52 2nr5 s GLU 32 N -5.73 -0.85 -0.08 0.00 1.03 -1.26 -4.90 118.70 106.91 2nr5 s GLU 32 Ca -0.13 -0.19 -0.37 0.00 0.03 0.00 0.00 54.97 54.32 2nr5 s GLU 32 Cb 0.16 -1.65 -0.14 0.00 -0.80 0.00 0.00 34.13 31.70 2nr5 s GLU 32 CO 0.83 -3.44 1.70 -3.47 -1.33 0.00 0.00 175.26 169.55 2nr5 n ASP 33 N -4.54 2.74 -3.60 0.83 -0.08 -1.26 -4.91 116.55 105.73 2nr5 n ASP 33 Ca 0.14 1.05 -0.16 0.00 -1.51 0.00 0.00 54.79 54.31 2nr5 n ASP 33 Cb 0.60 -1.27 -0.07 0.00 2.34 0.00 0.00 41.12 42.71 2nr5 n ASP 33 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2nr5 s SER 34 N 2.78 -0.52 0.14 1.67 1.04 -1.26 -5.04 113.70 112.50 2nr5 s SER 34 Ca 0.91 0.56 -0.27 0.00 0.48 0.00 0.00 55.95 57.63 2nr5 s SER 34 Cb -0.86 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 65.70 2nr5 s SER 34 CO 0.53 -0.54 0.85 -0.94 0.98 0.00 0.00 173.24 174.12 2nr5 s SER 35 N -1.15 7.43 0.48 7.02 1.04 -1.26 -4.95 113.70 122.30 2nr5 s SER 35 Ca -0.11 1.70 0.22 0.00 0.48 0.00 0.00 55.95 58.23 2nr5 s SER 35 Cb -0.02 -2.54 1.24 0.00 0.10 0.00 0.00 66.02 64.81 2nr5 s SER 35 CO 0.08 0.08 1.92 0.44 0.98 0.00 0.00 173.24 176.75 2nr5 h ASP 36 N 4.93 0.20 0.64 7.02 3.32 -1.99 -1.73 116.42 128.81 2nr5 h ASP 36 Ca -0.45 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.36 2nr5 h ASP 36 Cb 1.21 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2nr5 h ASP 36 CO 0.69 0.09 -1.15 0.77 -1.72 0.00 0.00 179.24 177.92 2nr5 h SER 37 N 0.21 0.37 0.02 6.45 4.64 -2.05 -3.26 113.55 119.92 2nr5 h SER 37 Ca 0.36 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2nr5 h SER 37 Cb 1.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2nr5 h SER 37 CO -0.07 1.27 -0.01 0.28 -0.87 0.00 0.00 176.83 177.43 2nr5 h SER 38 N 0.08 -0.02 0.00 4.97 0.02 -1.74 -0.90 113.55 115.96 2nr5 h SER 38 Ca -0.11 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2nr5 h SER 38 Cb 1.87 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.41 2nr5 h SER 38 CO 0.19 0.08 0.00 0.47 -1.14 0.00 0.00 176.83 176.43 2nr5 n ASP 39 N -5.05 0.00 0.00 3.07 8.00 -0.85 -1.93 116.55 119.79 2nr5 n ASP 39 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2nr5 n ASP 39 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2nr5 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nr5 n GLN 41 N 0.07 0.00 -0.13 -1.24 7.27 -0.34 -0.72 117.38 122.28 2nr5 n GLN 41 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 2nr5 n GLN 41 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2nr5 n GLN 41 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2nr5 h GLU 42 N 0.00 0.55 -0.58 3.69 5.08 -1.65 -2.65 114.58 119.02 2nr5 h GLU 42 Ca 0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2nr5 h GLU 42 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2nr5 h GLU 42 CO 0.00 0.39 0.35 0.28 -1.00 0.00 0.00 179.01 179.02 2nr5 h VAL 43 N 0.56 1.05 -0.58 3.13 2.07 -1.19 -1.62 116.25 119.67 2nr5 h VAL 43 Ca 0.15 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2nr5 h VAL 43 Cb -0.04 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2nr5 h VAL 43 CO -0.03 0.12 0.33 -0.08 0.02 0.00 0.00 177.57 177.94 2nr5 h GLU 44 N 0.68 0.62 -0.33 1.57 4.81 -1.79 0.00 114.58 120.16 2nr5 h GLU 44 Ca 0.24 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2nr5 h GLU 44 Cb 0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2nr5 h GLU 44 CO -0.11 0.41 0.13 0.82 -0.73 0.00 0.00 179.01 179.54 2nr5 h ILE 45 N 0.64 1.18 -0.41 2.32 2.04 -1.11 -1.19 117.51 120.99 2nr5 h ILE 45 Ca 0.24 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2nr5 h ILE 45 Cb 0.08 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2nr5 h ILE 45 CO -0.13 0.20 0.27 -0.50 0.00 0.00 0.00 178.15 177.99 2nr5 h TRP 46 N 0.38 0.52 -0.10 1.37 4.06 -1.16 -1.62 115.95 119.41 2nr5 h TRP 46 Ca 0.11 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.10 2nr5 h TRP 46 Cb 0.19 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 2nr5 h TRP 46 CO -0.00 0.33 -0.07 1.15 -3.56 0.00 0.00 178.44 176.28 2nr5 h THR 47 N 0.56 0.78 -0.49 1.49 2.02 -0.82 -0.45 112.91 116.01 2nr5 h THR 47 Ca 0.15 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 2nr5 h THR 47 Cb -0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2nr5 h THR 47 CO -0.03 0.00 -0.04 0.78 0.37 0.00 0.00 175.52 176.60 2nr5 h ASN 48 N -0.08 0.88 -0.30 4.18 2.35 -1.13 0.40 115.58 121.88 2nr5 h ASN 48 Ca 0.07 -0.33 -0.13 0.00 -0.55 0.00 0.00 56.30 55.36 2nr5 h ASN 48 Cb 0.17 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2nr5 h ASN 48 CO -0.15 1.00 -0.27 -0.09 -1.65 0.00 0.00 177.43 176.27 2nr5 h ARG 49 N 0.75 0.80 -0.47 0.81 9.65 -1.14 -1.11 114.38 123.67 2nr5 h ARG 49 Ca 0.13 -0.35 -0.08 0.00 -1.10 0.00 0.00 59.98 58.58 2nr5 h ARG 49 Cb 0.57 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 2nr5 h ARG 49 CO 0.03 0.98 -0.02 0.82 2.80 0.00 0.00 179.97 184.58 2nr5 h ILE 50 N 0.69 1.26 -0.50 1.20 2.04 -0.94 -1.77 117.51 119.50 2nr5 h ILE 50 Ca 0.08 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2nr5 h ILE 50 Cb 0.81 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2nr5 h ILE 50 CO 0.07 0.38 0.30 0.50 0.00 0.00 0.00 178.15 179.40 2nr5 h LYS 51 N 0.70 0.68 -0.66 2.37 1.63 -0.76 0.41 116.57 120.95 2nr5 h LYS 51 Ca 0.13 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 2nr5 h LYS 51 Cb 0.54 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 2nr5 h LYS 51 CO 0.03 0.50 0.34 1.49 -3.45 0.00 0.00 179.45 178.36 2nr5 h GLU 52 N 0.66 0.59 -0.26 1.90 4.81 -1.05 -0.59 114.58 120.64 2nr5 h GLU 52 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2nr5 h GLU 52 Cb -0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2nr5 h GLU 52 CO -0.03 0.39 0.09 1.25 -0.73 0.00 0.00 179.01 179.98 2nr5 h LEU 53 N 0.61 0.37 -0.42 1.64 5.85 -0.91 -2.37 115.31 120.08 2nr5 h LEU 53 Ca 0.31 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2nr5 h LEU 53 Cb 0.25 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2nr5 h LEU 53 CO -0.22 0.46 0.11 -0.33 -0.34 0.00 0.00 178.44 178.13 2nr5 h GLU 54 N 0.26 0.25 -0.43 1.25 5.08 -0.46 0.18 114.58 120.71 2nr5 h GLU 54 Ca 0.08 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2nr5 h GLU 54 Cb 0.22 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2nr5 h GLU 54 CO -0.00 0.16 0.03 -0.44 -1.00 0.00 0.00 179.01 177.76 2nr5 h ASP 55 N 0.26 -0.12 -0.08 1.42 3.32 -1.13 -0.42 116.42 119.66 2nr5 h ASP 55 Ca 0.20 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2nr5 h ASP 55 Cb 0.23 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2nr5 h ASP 55 CO -0.24 -0.03 0.04 -0.25 -1.72 0.00 0.00 179.24 177.05 2nr5 h TRP 56 N 0.14 0.11 -0.07 4.55 7.01 -1.03 0.30 115.95 126.97 2nr5 h TRP 56 Ca 0.21 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.23 2nr5 h TRP 56 Cb 0.30 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 2nr5 h TRP 56 CO -0.26 0.16 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.41 2nr5 h LEU 57 N 0.04 -0.22 0.00 0.65 3.38 -0.53 0.17 115.31 118.80 2nr5 h LEU 57 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2nr5 h LEU 57 Cb 0.08 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2nr5 h LEU 57 CO -0.00 -0.10 -0.70 0.79 0.09 0.00 0.00 178.44 178.52 2nr5 n TRP 58 N -5.20 0.05 -0.03 1.13 5.03 -0.21 -3.44 117.44 114.78 2nr5 n TRP 58 Ca -0.05 0.01 -0.04 0.00 3.03 0.00 0.00 57.50 60.46 2nr5 n TRP 58 Cb 0.13 -0.22 -0.04 0.00 -1.03 0.00 0.00 31.31 30.15 2nr5 n TRP 58 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2nr5 n GLY 59 N 1.48 -0.19 0.00 6.99 0.00 0.09 -4.69 105.19 108.88 2nr5 n GLY 59 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2nr5 n GLY 59 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nr5 n GLU 60 N -2.42 1.40 -1.64 1.61 2.13 0.05 -4.93 120.64 116.84 2nr5 n GLU 60 Ca -0.10 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.43 2nr5 n GLU 60 Cb 0.65 -0.90 0.13 0.00 0.27 0.00 0.00 31.44 31.59 2nr5 n GLU 60 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2nr5 s SER 61 N -1.67 3.71 0.38 4.31 1.04 0.39 -4.91 113.70 116.96 2nr5 s SER 61 Ca 0.00 0.88 0.25 0.00 0.48 0.00 0.00 55.95 57.56 2nr5 s SER 61 Cb 0.00 -1.40 1.38 0.00 0.10 0.00 0.00 66.02 66.09 2nr5 s SER 61 CO 0.00 -2.42 1.78 -0.65 0.98 0.00 0.00 173.24 172.93 2nr5 h PRO 62 N -1.41 0.00 -0.35 4.02 0.11 -1.89 -2.45 132.00 130.02 2nr5 h PRO 62 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nr5 h PRO 62 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2nr5 h PRO 62 CO 0.62 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.85 2nr5 n ILE 63 N -2.39 0.73 1.37 4.15 -5.35 -1.26 -5.08 119.36 111.53 2nr5 n ILE 63 Ca -0.02 -0.87 0.11 0.00 -0.27 0.00 0.00 62.75 61.71 2nr5 n ILE 63 Cb 0.04 0.72 0.65 0.00 -1.74 0.00 0.00 39.64 39.31 2nr5 n ILE 63 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79