#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n s SER 2 N 0.00 4.92 -0.04 1.61 0.01 -1.26 -5.06 113.70 113.88 2e5n s SER 2 Ca 0.00 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 2e5n s SER 2 Cb 0.00 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2e5n s SER 2 CO 0.00 -1.42 0.95 -0.94 0.41 0.00 0.00 173.24 172.23 2e5n s SER 3 N -4.56 7.28 0.00 2.44 1.04 -1.26 -4.96 113.70 113.68 2e5n s SER 3 Ca 0.61 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2e5n s SER 3 Cb -0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2e5n s SER 3 CO 0.41 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2e5n n GLY 4 N 2.99 3.19 2.36 7.32 0.00 -1.26 -5.05 105.19 114.74 2e5n n GLY 4 Ca 0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2e5n n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e5n n SER 5 N 0.00 4.41 -4.16 1.61 3.41 -1.26 -5.04 113.62 112.59 2e5n n SER 5 Ca 0.00 -3.59 -0.10 0.00 -0.26 0.00 0.00 58.87 54.92 2e5n n SER 5 Cb 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 2e5n n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e5n s SER 6 N -3.54 0.46 0.00 4.04 0.15 -1.26 -5.17 113.70 108.38 2e5n s SER 6 Ca 0.47 -1.20 -0.29 0.00 0.70 0.00 0.00 55.95 55.62 2e5n s SER 6 Cb 0.40 0.27 0.10 0.00 -1.71 0.00 0.00 66.02 65.08 2e5n s SER 6 CO -0.09 -0.70 1.07 -0.83 1.20 0.00 0.00 173.24 173.88 2e5n s GLY 7 N -3.07 -0.35 0.28 9.45 0.00 -1.26 -5.19 107.32 107.18 2e5n s GLY 7 Ca 0.24 0.80 -0.16 0.00 0.00 0.00 0.00 44.72 45.60 2e5n s GLY 7 CO 0.02 0.23 0.61 -0.51 0.00 0.00 0.00 173.10 173.45 2e5n s THR 8 N -2.87 0.00 0.08 0.90 -4.23 -1.26 -5.06 115.64 103.20 2e5n s THR 8 Ca 0.10 -1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 2e5n s THR 8 Cb 0.00 -2.22 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 2e5n s THR 8 CO -0.04 0.00 1.45 0.40 -0.54 0.00 0.00 174.62 175.89 2e5n h ILE 9 N 2.11 1.30 -0.58 2.99 1.08 -1.96 -3.17 117.51 119.28 2e5n h ILE 9 Ca -0.24 -1.20 0.11 0.00 -0.39 0.00 0.00 64.86 63.14 2e5n h ILE 9 Cb 1.25 1.53 -0.09 0.00 -3.07 0.00 0.00 36.82 36.44 2e5n h ILE 9 CO 0.31 0.38 0.08 0.77 -0.69 0.00 0.00 178.15 178.99 2e5n h SER 10 N 0.28 -0.09 -0.15 1.72 4.64 -1.96 0.36 113.55 118.34 2e5n h SER 10 Ca 0.06 0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2e5n h SER 10 Cb 0.63 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2e5n h SER 10 CO 0.04 -0.03 0.35 1.56 -0.87 0.00 0.00 176.83 177.88 2e5n h GLN 11 N 0.20 0.00 -7.08 4.77 1.08 -1.97 -3.41 115.11 108.70 2e5n h GLN 11 Ca 0.30 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 57.05 2e5n h GLN 11 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2e5n h GLN 11 CO -0.43 0.00 0.33 1.03 -0.95 0.00 0.00 178.83 178.81 2e5n s ARG 12 N -4.32 4.12 0.34 1.46 1.81 0.13 -5.03 118.95 117.46 2e5n s ARG 12 Ca -0.04 1.03 -0.28 0.00 -1.72 0.00 0.00 55.73 54.72 2e5n s ARG 12 Cb 0.12 -2.18 -0.09 0.00 -0.45 0.00 0.00 34.95 32.34 2e5n s ARG 12 CO 0.39 -0.10 1.21 -1.25 -0.68 0.00 0.00 175.30 174.87 2e5n s PRO 13 N -3.48 4.31 0.09 3.54 0.04 -1.26 -4.91 135.00 133.33 2e5n s PRO 13 Ca 0.60 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.43 2e5n s PRO 13 Cb -0.09 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 2e5n s PRO 13 CO 0.20 -0.15 1.35 -0.92 0.04 0.00 0.00 177.00 177.52 2e5n h TYR 14 N 3.21 -1.12 -0.64 0.56 3.20 -1.94 -1.91 116.97 118.34 2e5n h TYR 14 Ca -0.48 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.50 2e5n h TYR 14 Cb 1.23 0.53 -0.08 0.00 1.54 0.00 0.00 36.73 39.95 2e5n h TYR 14 CO 0.56 -0.30 -0.38 -2.13 -1.64 0.00 0.00 178.16 174.27 2e5n n ARG 15 N -4.42 -0.28 -0.17 1.82 0.63 -1.26 0.72 116.66 113.70 2e5n n ARG 15 Ca -0.02 1.03 -0.05 0.00 -0.92 0.00 0.00 57.85 57.89 2e5n n ARG 15 Cb 0.21 -1.51 0.02 0.00 0.45 0.00 0.00 32.46 31.62 2e5n n ARG 15 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2e5n h ASP 16 N 0.00 -0.94 -0.39 6.15 5.19 -1.75 0.51 116.42 125.18 2e5n h ASP 16 Ca 0.10 0.20 0.09 0.00 -0.62 0.00 0.00 57.03 56.81 2e5n h ASP 16 Cb 0.26 0.49 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2e5n h ASP 16 CO -0.60 -0.28 0.28 0.03 -3.12 0.00 0.00 179.24 175.54 2e5n h ARG 17 N -0.14 0.10 0.19 3.56 3.08 0.75 0.29 114.38 122.21 2e5n h ARG 17 Ca 0.23 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2e5n h ARG 17 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2e5n h ARG 17 CO -0.62 0.07 -0.09 0.28 -1.07 0.00 0.00 179.97 178.54 2e5n h VAL 18 N 0.11 0.07 -0.49 2.04 2.07 0.19 -3.18 116.25 117.05 2e5n h VAL 18 Ca 0.18 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2e5n h VAL 18 Cb 0.59 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2e5n h VAL 18 CO -0.02 0.02 0.23 0.16 0.02 0.00 0.00 177.57 177.98 2e5n h ILE 19 N -1.06 0.93 -0.43 4.57 3.07 -0.42 -0.16 117.51 124.01 2e5n h ILE 19 Ca -0.03 -0.15 0.12 0.00 1.55 0.00 0.00 64.86 66.35 2e5n h ILE 19 Cb 0.23 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 37.20 2e5n h ILE 19 CO 0.04 0.08 0.42 0.45 -1.05 0.00 0.00 178.15 178.09 2e5n h HIS 20 N 0.45 0.00 0.06 0.16 3.86 -0.57 0.32 115.15 119.43 2e5n h HIS 20 Ca 0.22 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.20 2e5n h HIS 20 Cb 0.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2e5n h HIS 20 CO -0.12 0.00 -1.19 -0.07 0.86 0.00 0.00 177.93 177.41 2e5n h LEU 21 N 0.00 0.20 -1.53 2.43 3.38 -1.07 -3.36 115.31 115.36 2e5n h LEU 21 Ca 0.20 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 2e5n h LEU 21 Cb 1.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2e5n h LEU 21 CO -0.00 1.50 -0.08 -0.07 0.09 0.00 0.00 178.44 179.88 2e5n h LEU 22 N -0.62 0.18 -0.10 1.67 3.38 -0.14 -3.17 115.31 116.52 2e5n h LEU 22 Ca -0.28 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2e5n h LEU 22 Cb 1.51 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 2e5n h LEU 22 CO -0.04 0.30 -0.30 0.00 0.09 0.00 0.00 178.44 178.49 2e5n h ALA 23 N 1.73 -0.66 -0.83 1.53 0.00 -0.56 -1.94 119.26 118.53 2e5n h ALA 23 Ca 0.04 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.09 2e5n h ALA 23 Cb 0.28 0.83 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 2e5n h ALA 23 CO 0.01 -0.78 -0.21 -0.07 0.00 0.00 0.00 179.25 178.21 2e5n h LEU 24 N -0.30 -0.77 -7.92 0.00 3.38 -1.72 -3.45 115.31 104.53 2e5n h LEU 24 Ca 0.02 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2e5n h LEU 24 Cb 0.36 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2e5n h LEU 24 CO -0.25 -0.27 0.32 -1.59 0.09 0.00 0.00 178.44 176.73 2e5n s LYS 25 N -6.25 1.70 0.16 1.13 -2.85 -0.73 -5.07 119.74 107.84 2e5n s LYS 25 Ca -0.15 -0.98 -0.31 0.00 -1.00 0.00 0.00 55.97 53.54 2e5n s LYS 25 Cb 0.23 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.48 2e5n s LYS 25 CO 0.76 -0.78 1.33 0.00 0.10 0.00 0.00 175.35 176.76 2e5n s ALA 26 N -3.41 3.54 -0.04 0.59 0.00 -1.25 -4.12 121.76 117.07 2e5n s ALA 26 Ca 0.13 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.22 2e5n s ALA 26 Cb -0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2e5n s ALA 26 CO 0.07 -0.56 -0.17 0.71 0.00 0.00 0.00 175.76 175.81 2e5n s TYR 27 N 0.57 1.66 0.54 0.00 1.51 -0.52 -4.87 117.35 116.25 2e5n s TYR 27 Ca 0.60 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 56.06 2e5n s TYR 27 Cb -0.36 -1.12 -0.07 0.00 -0.11 0.00 0.00 41.96 40.30 2e5n s TYR 27 CO 0.34 -0.15 0.99 0.15 -1.11 0.00 0.00 175.55 175.78 2e5n s LYS 28 N -0.01 3.84 0.23 -0.62 1.02 -1.26 -1.57 119.74 121.36 2e5n s LYS 28 Ca -0.03 0.87 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 2e5n s LYS 28 Cb -0.11 -2.13 0.25 0.00 -0.52 0.00 0.00 37.83 35.32 2e5n s LYS 28 CO 0.02 -0.35 1.56 -0.22 -0.92 0.00 0.00 175.35 175.44 2e5n h LYS 29 N 0.55 -0.03 0.04 1.68 1.63 -1.97 0.52 116.57 118.99 2e5n h LYS 29 Ca -0.46 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2e5n h LYS 29 Cb 1.19 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2e5n h LYS 29 CO 0.62 -0.02 -0.02 -1.00 -3.45 0.00 0.00 179.45 175.58 2e5n h PRO 30 N -0.03 -0.05 0.30 1.90 0.13 -1.95 -3.13 132.00 129.18 2e5n h PRO 30 Ca 0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.47 2e5n h PRO 30 Cb 0.60 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 2e5n h PRO 30 CO -0.93 0.42 -0.35 1.49 -0.23 0.00 0.00 178.00 178.40 2e5n h GLU 31 N -0.54 -0.64 -1.00 0.86 4.81 -1.66 -2.42 114.58 114.01 2e5n h GLU 31 Ca -0.01 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.54 2e5n h GLU 31 Cb 0.49 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 29.83 2e5n h GLU 31 CO 0.01 -0.42 0.02 1.25 -0.73 0.00 0.00 179.01 179.14 2e5n h LEU 32 N -0.66 -0.50 0.36 1.64 6.46 -0.13 0.75 115.31 123.22 2e5n h LEU 32 Ca -0.04 0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2e5n h LEU 32 Cb 0.58 0.50 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 2e5n h LEU 32 CO -0.07 -0.37 -0.50 -0.07 -0.62 0.00 0.00 178.44 176.81 2e5n h LEU 33 N 0.00 -1.43 -0.63 2.25 3.38 -1.38 -2.33 115.31 115.17 2e5n h LEU 33 Ca 0.61 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.86 2e5n h LEU 33 Cb 1.25 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 42.37 2e5n h LEU 33 CO -0.94 -0.61 -0.06 0.00 0.09 0.00 0.00 178.44 176.91 2e5n n ALA 34 N -2.84 0.25 -0.17 1.53 0.00 0.25 0.27 120.51 119.79 2e5n n ALA 34 Ca -0.10 0.68 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 2e5n n ALA 34 Cb 0.43 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.44 2e5n n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5n h ARG 35 N 0.00 0.68 0.23 0.00 2.47 -1.37 -2.41 114.38 113.98 2e5n h ARG 35 Ca 0.35 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2e5n h ARG 35 Cb 0.64 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2e5n h ARG 35 CO -0.62 0.52 -0.11 -0.07 0.56 0.00 0.00 179.97 180.25 2e5n h LEU 36 N 0.65 -0.26 -1.65 3.04 3.38 0.39 -3.25 115.31 117.61 2e5n h LEU 36 Ca 0.17 -0.13 0.50 0.00 0.09 0.00 0.00 57.88 58.50 2e5n h LEU 36 Cb 0.03 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 2e5n h LEU 36 CO -0.03 0.25 1.08 1.56 0.09 0.00 0.00 178.44 181.38 2e5n h GLN 37 N -1.03 0.03 -0.57 1.13 1.08 0.37 0.12 115.11 116.25 2e5n h GLN 37 Ca -0.03 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 2e5n h GLN 37 Cb 0.38 -0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.70 2e5n h GLN 37 CO 0.05 0.02 -0.39 0.87 -0.95 0.00 0.00 178.83 178.42 2e5n h LYS 38 N 0.03 -0.20 0.00 1.46 1.57 -1.46 0.10 116.57 118.06 2e5n h LYS 38 Ca 0.87 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.61 2e5n h LYS 38 Cb 3.09 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 35.44 2e5n h LYS 38 CO -0.26 -0.14 -0.27 -0.44 -0.57 0.00 0.00 179.45 177.77 2e5n h ASP 39 N -0.21 0.00 0.00 0.86 3.32 -0.96 -3.48 116.42 115.95 2e5n h ASP 39 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2e5n h ASP 39 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2e5n h ASP 39 CO -0.67 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.73 2e5n n GLY 40 N 1.03 3.63 3.21 2.75 0.00 0.35 -5.03 105.19 111.14 2e5n n GLY 40 Ca 0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 2e5n n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5n s VAL 41 N 0.00 1.71 -0.11 1.61 1.01 -1.26 -4.69 120.40 118.67 2e5n s VAL 41 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 2e5n s VAL 41 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2e5n s VAL 41 CO 0.00 0.48 0.89 0.20 0.00 0.00 0.00 175.10 176.67 2e5n s ASN 42 N -0.20 7.11 0.26 3.32 0.01 -1.26 -4.94 114.94 119.23 2e5n s ASN 42 Ca 0.00 1.36 -0.04 0.00 -0.71 0.00 0.00 52.86 53.47 2e5n s ASN 42 Cb -0.11 -2.50 0.53 0.00 0.41 0.00 0.00 41.25 39.58 2e5n s ASN 42 CO 0.02 -0.36 1.65 0.06 -1.51 0.00 0.00 177.10 176.95 2e5n h GLN 43 N 7.11 0.16 -0.19 -0.60 3.07 -1.99 0.92 115.11 123.58 2e5n h GLN 43 Ca -0.33 -0.01 0.06 0.00 0.09 0.00 0.00 58.65 58.46 2e5n h GLN 43 Cb 1.16 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 2e5n h GLN 43 CO 0.82 0.10 0.15 1.57 0.09 0.00 0.00 178.83 181.57 2e5n h LYS 44 N 0.16 0.00 0.00 0.06 2.10 -2.02 -0.10 116.57 116.76 2e5n h LYS 44 Ca 0.46 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.95 2e5n h LYS 44 Cb 0.84 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.15 2e5n h LYS 44 CO -0.64 0.00 -1.02 -0.44 -2.00 0.00 0.00 179.45 175.35 2e5n h ASP 45 N 0.00 0.00 -0.28 7.07 5.19 0.39 -3.32 116.42 125.48 2e5n h ASP 45 Ca 0.09 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.54 2e5n h ASP 45 Cb 0.39 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 2e5n h ASP 45 CO -0.00 0.65 0.03 0.11 -3.12 0.00 0.00 179.24 176.91 2e5n h LYS 46 N 0.00 0.12 -0.16 3.56 1.57 0.87 0.43 116.57 122.95 2e5n h LYS 46 Ca -0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2e5n h LYS 46 Cb 1.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 2e5n h LYS 46 CO 0.07 0.08 -0.17 -0.97 -0.57 0.00 0.00 179.45 177.88 2e5n h ASN 47 N 0.12 0.26 0.43 0.86 -1.24 -1.67 -2.67 115.58 111.68 2e5n h ASN 47 Ca 0.13 -0.06 -0.20 0.00 0.71 0.00 0.00 56.30 56.88 2e5n h ASN 47 Cb 0.15 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2e5n h ASN 47 CO -0.19 0.46 -0.84 0.77 -1.29 0.00 0.00 177.43 176.34 2e5n h SER 48 N 0.26 0.38 -0.89 1.15 4.64 -1.40 -3.32 113.55 114.37 2e5n h SER 48 Ca 0.05 -0.28 0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2e5n h SER 48 Cb 0.46 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 62.31 2e5n h SER 48 CO 0.03 1.06 -0.49 0.25 -0.87 0.00 0.00 176.83 176.81 2e5n h LEU 49 N 0.18 -1.77 -1.40 5.97 6.46 0.19 0.73 115.31 125.67 2e5n h LEU 49 Ca -0.05 0.30 0.30 0.00 -0.12 0.00 0.00 57.88 58.31 2e5n h LEU 49 Cb 1.45 0.83 -0.10 0.00 -0.73 0.00 0.00 40.66 42.11 2e5n h LEU 49 CO 0.14 -0.28 0.70 1.23 -0.62 0.00 0.00 178.44 179.61 2e5n h GLY 50 N -0.06 1.17 0.81 3.75 0.00 -1.67 0.13 103.07 107.19 2e5n h GLY 50 Ca 0.22 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2e5n h GLY 50 CO -0.89 -0.17 -0.25 0.00 0.00 0.00 0.00 176.54 175.23 2e5n h ALA 51 N 1.61 0.26 -0.19 3.60 0.00 0.26 -3.25 119.26 121.55 2e5n h ALA 51 Ca 0.63 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2e5n h ALA 51 Cb 1.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2e5n h ALA 51 CO -0.30 0.23 0.10 0.82 0.00 0.00 0.00 179.25 180.10 2e5n h ILE 52 N 0.10 1.12 -1.24 0.00 2.04 0.24 -1.88 117.51 117.89 2e5n h ILE 52 Ca 0.02 -0.33 0.36 0.00 1.00 0.00 0.00 64.86 65.91 2e5n h ILE 52 Cb 0.82 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 2e5n h ILE 52 CO 0.06 0.11 0.83 -0.07 0.00 0.00 0.00 178.15 179.08 2e5n h LEU 53 N 0.19 0.24 0.00 1.44 3.38 -1.07 1.53 115.31 121.02 2e5n h LEU 53 Ca 0.07 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2e5n h LEU 53 Cb 0.09 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2e5n h LEU 53 CO -0.01 -0.03 -0.83 -0.61 0.09 0.00 0.00 178.44 177.05 2e5n h GLN 54 N 0.17 0.00 0.00 1.13 4.15 -1.48 1.09 115.11 120.17 2e5n h GLN 54 Ca 0.69 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 60.01 2e5n h GLN 54 Cb 2.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.88 2e5n h GLN 54 CO -0.25 0.04 -0.81 1.96 -1.93 0.00 0.00 178.83 177.85 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 4.20 0.27 -3.38 115.11 117.88 2e5n h GLN 55 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2e5n h GLN 55 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2e5n h GLN 55 CO 0.01 0.31 -0.86 1.33 -0.67 0.00 0.00 178.83 178.94 2e5n n VAL 56 N -3.03 0.00 -4.63 -0.54 0.24 0.16 -5.05 118.33 105.48 2e5n n VAL 56 Ca -0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.99 2e5n n VAL 56 Cb 0.72 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.98 2e5n n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e5n s ALA 57 N -1.77 3.44 -0.07 2.33 0.00 0.38 0.13 121.76 126.19 2e5n s ALA 57 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2e5n s ALA 57 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2e5n s ALA 57 CO 0.00 -0.18 -0.15 -0.80 0.00 0.00 0.00 175.76 174.63 2e5n s ASN 58 N -3.73 2.03 0.05 0.00 0.01 0.14 -3.63 114.94 109.81 2e5n s ASN 58 Ca 0.17 -0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 51.67 2e5n s ASN 58 Cb 0.03 -0.89 -0.04 0.00 0.41 0.00 0.00 41.25 40.76 2e5n s ASN 58 CO 0.10 0.07 1.02 -0.22 -1.51 0.00 0.00 177.10 176.56 2e5n s LEU 59 N 0.52 4.41 -0.55 0.60 0.20 -1.26 -0.63 118.68 121.97 2e5n s LEU 59 Ca -0.14 1.78 -0.06 0.00 0.69 0.00 0.00 54.13 56.41 2e5n s LEU 59 Cb -0.15 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.17 2e5n s LEU 59 CO 0.04 -0.25 0.39 0.21 -0.29 0.00 0.00 176.35 176.45 2e5n s ASN 60 N 0.69 5.51 0.61 3.68 3.84 -0.45 -4.93 114.94 123.90 2e5n s ASN 60 Ca 0.52 -2.38 0.26 0.00 0.21 0.00 0.00 52.86 51.47 2e5n s ASN 60 Cb -0.24 -1.92 1.03 0.00 -0.55 0.00 0.00 41.25 39.58 2e5n s ASN 60 CO 0.29 -0.52 1.45 -1.28 -2.79 0.00 0.00 177.10 174.25 2e5n h SER 61 N 7.74 0.00 0.00 -4.21 0.87 -1.94 0.66 113.55 116.68 2e5n h SER 61 Ca -0.09 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2e5n h SER 61 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 2e5n h SER 61 CO 0.75 0.00 -0.25 0.50 -0.53 0.00 0.00 176.83 177.31 2e5n h LYS 62 N 0.00 -0.30 -0.10 2.24 1.63 -1.94 -3.26 116.57 114.84 2e5n h LYS 62 Ca 0.39 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 2e5n h LYS 62 Cb 2.39 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 34.09 2e5n h LYS 62 CO -0.00 -0.20 0.00 -3.47 -3.45 0.00 0.00 179.45 172.33 2e5n n ASP 63 N -3.85 2.53 -1.96 4.20 -0.08 -0.52 -4.96 116.55 111.91 2e5n n ASP 63 Ca -0.03 -2.42 -0.17 0.00 -1.51 0.00 0.00 54.79 50.65 2e5n n ASP 63 Cb 0.18 -0.23 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2e5n n LEU 64 N -0.54 -1.44 -4.88 -2.67 4.77 0.22 -4.95 117.00 107.51 2e5n n LEU 64 Ca 0.09 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 2e5n n LEU 64 Cb 0.47 -2.54 -0.05 0.00 -2.33 0.00 0.00 43.42 38.97 2e5n n LEU 64 CO 0.04 -0.55 -0.10 -0.94 -1.33 0.00 0.00 177.39 174.52 2e5n s SER 65 N -2.25 6.46 -0.18 -1.43 1.04 -1.21 -4.47 113.70 111.65 2e5n s SER 65 Ca 0.00 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 2e5n s SER 65 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2e5n s SER 65 CO 0.00 0.30 0.43 -0.31 0.98 0.00 0.00 173.24 174.64 2e5n s TYR 66 N -1.22 3.41 -0.20 5.02 2.02 -0.61 -1.33 117.35 124.43 2e5n s TYR 66 Ca 0.24 0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 57.59 2e5n s TYR 66 Cb -0.13 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.87 2e5n s TYR 66 CO 0.13 0.03 -0.00 0.95 -1.57 0.00 0.00 175.55 175.09 2e5n s THR 67 N 1.15 3.93 0.14 -0.71 -4.23 0.19 -1.44 115.64 114.66 2e5n s THR 67 Ca 0.21 -0.32 -0.34 0.00 -1.18 0.00 0.00 61.69 60.06 2e5n s THR 67 Cb -0.15 -2.77 -0.14 0.00 1.34 0.00 0.00 72.50 70.78 2e5n s THR 67 CO 0.08 0.43 1.60 -0.11 -0.54 0.00 0.00 174.62 176.08 2e5n n LEU 68 N 4.25 3.11 0.00 4.79 0.00 -1.26 0.28 117.00 128.16 2e5n n LEU 68 Ca -0.17 1.07 -0.09 0.00 0.00 0.00 0.00 56.01 56.83 2e5n n LEU 68 Cb 0.52 -1.42 0.08 0.00 0.00 0.00 0.00 43.42 42.60 2e5n n LEU 68 CO 0.31 -0.28 0.10 0.29 0.00 0.00 0.00 177.39 177.82 2e5n n LYS 69 N 3.68 -1.21 -0.11 1.96 5.02 0.12 -4.84 118.16 122.78 2e5n n LYS 69 Ca 0.17 -0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 55.82 2e5n n LYS 69 Cb 0.29 -0.74 -0.12 0.00 -0.02 0.00 0.00 35.03 34.45 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2e5n n ASP 70 N -2.02 1.98 -0.08 4.39 9.92 -1.26 -4.38 116.55 125.10 2e5n n ASP 70 Ca 0.04 0.15 -0.11 0.00 -0.53 0.00 0.00 54.79 54.34 2e5n n ASP 70 Cb 0.17 -0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 39.92 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2e5n h TYR 71 N -0.47 0.42 -1.24 1.24 -0.00 -1.94 -2.79 116.97 112.18 2e5n h TYR 71 Ca -0.57 -0.05 0.37 0.00 -0.00 0.00 0.00 58.73 58.48 2e5n h TYR 71 Cb 1.75 -0.12 -0.10 0.00 -0.00 0.00 0.00 36.73 38.26 2e5n h TYR 71 CO 0.00 0.49 0.82 0.28 -0.00 0.00 0.00 178.16 179.76 2e5n h VAL 72 N 0.22 0.29 -1.11 -0.90 2.07 -1.87 0.35 116.25 115.31 2e5n h VAL 72 Ca 0.08 -0.06 0.31 0.00 0.82 0.00 0.00 66.70 67.85 2e5n h VAL 72 Cb 0.29 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.05 2e5n h VAL 72 CO 0.00 0.03 0.71 -0.26 0.02 0.00 0.00 177.57 178.07 2e5n h PHE 73 N 0.18 0.66 -0.08 1.57 0.04 -1.70 0.97 116.94 118.58 2e5n h PHE 73 Ca 0.71 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 61.40 2e5n h PHE 73 Cb 2.22 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 40.18 2e5n h PHE 73 CO -0.00 -0.03 -0.45 1.57 -0.60 0.00 0.00 178.31 178.79 2e5n h LYS 74 N 0.31 0.18 0.00 1.51 2.10 -0.48 -2.69 116.57 117.50 2e5n h LYS 74 Ca 0.67 -0.09 -0.05 0.00 -2.00 0.00 0.00 60.65 59.18 2e5n h LYS 74 Cb 1.79 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.12 2e5n h LYS 74 CO -0.36 0.60 -0.21 0.93 -2.00 0.00 0.00 179.45 178.41 2e5n h GLU 75 N 0.15 0.00 -6.58 0.07 5.08 0.87 -3.45 114.58 110.71 2e5n h GLU 75 Ca 0.01 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.93 2e5n h GLU 75 Cb 0.86 0.00 0.23 0.00 0.50 0.00 0.00 28.75 30.34 2e5n h GLU 75 CO 0.07 0.21 -1.13 1.28 -1.00 0.00 0.00 179.01 178.44 2e5n n LEU 76 N -3.37 -2.30 -3.90 1.33 4.77 -0.83 -5.00 117.00 107.68 2e5n n LEU 76 Ca 0.00 -0.16 -0.28 0.00 -0.03 0.00 0.00 56.01 55.54 2e5n n LEU 76 Cb 0.43 -0.91 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 2e5n n LEU 76 CO 0.33 -3.06 -0.43 -1.10 -1.33 0.00 0.00 177.39 171.80 2e5n s GLN 77 N -3.37 1.52 0.66 3.23 -1.52 -1.26 -4.99 119.66 113.92 2e5n s GLN 77 Ca 0.53 -0.53 0.43 0.00 -1.95 0.00 0.00 55.36 53.85 2e5n s GLN 77 Cb -0.10 -2.02 2.35 0.00 -0.22 0.00 0.00 33.01 33.03 2e5n s GLN 77 CO 0.63 -0.41 2.35 0.00 -0.25 0.00 0.00 175.29 177.61 2e5n h ARG 78 N 8.11 0.00 -0.72 2.91 3.08 -1.97 0.40 114.38 126.19 2e5n h ARG 78 Ca -0.25 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 2e5n h ARG 78 Cb 1.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.08 2e5n h ARG 78 CO 0.41 0.00 0.17 -3.47 -1.07 0.00 0.00 179.97 176.01 2e5n n ASP 79 N -3.15 4.97 -4.65 7.04 2.03 -1.26 -4.96 116.55 116.56 2e5n n ASP 79 Ca -0.03 -3.05 -0.42 0.00 0.52 0.00 0.00 54.79 51.81 2e5n n ASP 79 Cb 0.08 -0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2e5n s TRP 80 N -2.78 1.47 -2.00 -0.67 -0.11 0.13 -4.84 118.94 110.15 2e5n s TRP 80 Ca 0.52 -0.17 0.14 0.00 1.22 0.00 0.00 56.10 57.81 2e5n s TRP 80 Cb 0.41 -4.13 0.85 0.00 -1.50 0.00 0.00 33.47 29.10 2e5n s TRP 80 CO 0.14 -4.92 1.27 -0.35 -4.62 0.00 0.00 176.95 168.47 2e5n n PRO 81 N 7.56 0.49 0.00 5.86 -0.04 -1.26 -2.32 135.00 145.29 2e5n n PRO 81 Ca 0.20 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2e5n n PRO 81 Cb 0.42 -1.45 0.23 0.00 -0.04 0.00 0.00 33.50 32.66 2e5n n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2e5n n GLY 82 N -0.02 -1.17 3.55 0.55 0.00 -1.26 -4.81 105.19 102.04 2e5n n GLY 82 Ca 0.11 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2e5n n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e5n s TYR 83 N -2.95 3.21 0.96 1.61 2.02 -0.98 -5.00 117.35 116.23 2e5n s TYR 83 Ca 0.12 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.60 2e5n s TYR 83 Cb 0.18 -2.40 0.17 0.00 -0.40 0.00 0.00 41.96 39.50 2e5n s TYR 83 CO 0.70 -0.26 1.18 -1.12 -1.57 0.00 0.00 175.55 174.48 2e5n s SER 84 N 1.73 3.07 0.57 2.29 0.01 -1.26 -4.34 113.70 115.77 2e5n s SER 84 Ca 0.06 0.72 0.33 0.00 1.31 0.00 0.00 55.95 58.37 2e5n s SER 84 Cb -0.17 -1.09 1.13 0.00 0.21 0.00 0.00 66.02 66.10 2e5n s SER 84 CO 0.10 -2.80 1.34 1.21 0.41 0.00 0.00 173.24 173.50 2e5n n GLU 85 N -3.89 0.01 -0.05 12.44 2.13 -1.26 -1.38 120.64 128.65 2e5n n GLU 85 Ca 0.10 1.01 -0.04 0.00 0.66 0.00 0.00 57.16 58.89 2e5n n GLU 85 Cb 0.60 -2.45 -0.01 0.00 0.27 0.00 0.00 31.44 29.84 2e5n n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2e5n n ILE 86 N -3.39 0.86 -0.26 6.31 2.08 -1.26 -4.13 119.36 119.57 2e5n n ILE 86 Ca 0.29 0.31 0.02 0.00 0.56 0.00 0.00 62.75 63.93 2e5n n ILE 86 Cb 1.64 -2.02 0.06 0.00 -0.75 0.00 0.00 39.64 38.57 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2e5n n ASP 87 N -3.66 -0.35 0.05 4.38 9.92 -0.48 -0.01 116.55 126.41 2e5n n ASP 87 Ca -0.06 1.20 -0.10 0.00 -0.53 0.00 0.00 54.79 55.31 2e5n n ASP 87 Cb 0.22 -0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 40.31 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2e5n h ARG 88 N 0.00 -0.42 -0.04 -1.24 3.08 -1.49 0.44 114.38 114.71 2e5n h ARG 88 Ca 0.29 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.38 2e5n h ARG 88 Cb 0.46 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2e5n h ARG 88 CO -0.70 -0.28 0.08 0.07 -1.07 0.00 0.00 179.97 178.07 2e5n h ARG 89 N -0.43 0.00 0.00 0.04 0.11 -0.74 0.21 114.38 113.57 2e5n h ARG 89 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2e5n h ARG 89 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 2e5n h ARG 89 CO -0.19 0.00 -0.29 1.03 0.10 0.00 0.00 179.97 180.62 2e5n h SER 90 N 0.00 0.00 0.04 0.08 0.87 0.16 -3.36 113.55 111.34 2e5n h SER 90 Ca 0.02 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.26 2e5n h SER 90 Cb 0.18 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2e5n h SER 90 CO -0.00 0.04 -1.74 -0.11 -0.53 0.00 0.00 176.83 174.49 2e5n n LEU 91 N -3.01 2.17 -0.17 2.23 0.00 0.13 -4.12 117.00 114.23 2e5n n LEU 91 Ca 0.03 0.31 0.28 0.00 0.00 0.00 0.00 56.01 56.63 2e5n n LEU 91 Cb 0.55 -0.99 0.53 0.00 0.00 0.00 0.00 43.42 43.52 2e5n n LEU 91 CO 0.36 0.53 1.26 1.05 0.00 0.00 0.00 177.39 180.58 2e5n h GLU 92 N -0.63 0.00 0.31 1.96 4.11 -1.19 0.13 114.58 119.28 2e5n h GLU 92 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2e5n h GLU 92 CO -0.15 0.00 -0.15 1.03 0.07 0.00 0.00 179.01 179.81 2e5n h SER 93 N 0.00 -0.36 -0.73 3.06 0.87 -1.72 -2.51 113.55 112.17 2e5n h SER 93 Ca 0.45 -0.06 0.14 0.00 -1.23 0.00 0.00 61.79 61.08 2e5n h SER 93 Cb 2.56 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 64.47 2e5n h SER 93 CO -0.00 0.11 -0.27 0.58 -0.53 0.00 0.00 176.83 176.72 2e5n h VAL 94 N -1.07 0.18 -0.72 2.23 2.07 -0.92 0.46 116.25 118.49 2e5n h VAL 94 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2e5n h VAL 94 Cb 0.40 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2e5n h VAL 94 CO 0.07 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 178.01 2e5n h LEU 95 N -0.06 0.86 -1.05 2.57 3.38 -1.60 0.17 115.31 119.58 2e5n h LEU 95 Ca 0.32 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2e5n h LEU 95 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2e5n h LEU 95 CO -0.77 0.68 -0.31 -1.28 0.09 0.00 0.00 178.44 176.84 2e5n h SER 96 N 0.99 0.28 0.00 -0.43 0.87 0.22 0.12 113.55 115.60 2e5n h SER 96 Ca 0.26 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2e5n h SER 96 Cb -0.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2e5n h SER 96 CO -0.05 0.59 -0.01 0.03 -0.53 0.00 0.00 176.83 176.86 2e5n h ARG 97 N 0.25 0.01 0.48 2.24 3.08 0.20 -3.40 114.38 117.24 2e5n h ARG 97 Ca 0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2e5n h ARG 97 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2e5n h ARG 97 CO 0.05 0.97 -0.23 0.87 -1.07 0.00 0.00 179.97 180.56 2e5n h LYS 98 N -0.96 -0.63 -5.93 0.04 1.79 -0.70 -3.39 116.57 106.79 2e5n h LYS 98 Ca -0.00 0.04 -0.48 0.00 -2.18 0.00 0.00 60.65 58.03 2e5n h LYS 98 Cb 0.98 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 2e5n h LYS 98 CO 0.00 -0.42 1.33 -0.51 -1.08 0.00 0.00 179.45 178.77 2e5n s LEU 99 N -7.89 3.29 0.00 2.94 1.43 0.42 -5.08 118.68 113.79 2e5n s LEU 99 Ca -0.09 0.32 0.31 0.00 -1.03 0.00 0.00 54.13 53.63 2e5n s LEU 99 Cb 0.01 -2.53 1.66 0.00 0.03 0.00 0.00 46.19 45.36 2e5n s LEU 99 CO 0.28 -2.45 2.09 0.59 0.23 0.00 0.00 176.35 177.10