#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 6.65 0.58 1.61 1.04 -1.26 -5.04 113.70 117.29 2e5n s SER 2 Ca 0.00 -2.44 -0.18 0.00 0.48 0.00 0.00 55.95 53.81 2e5n s SER 2 Cb 0.00 -2.24 -0.13 0.00 0.10 0.00 0.00 66.02 63.75 2e5n s SER 2 CO 0.00 -0.69 -0.02 -1.20 0.98 0.00 0.00 173.24 172.31 2e5n n SER 3 N 4.56 -3.20 0.00 7.02 7.64 -1.26 -4.71 113.62 123.67 2e5n n SER 3 Ca 0.11 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2e5n n SER 3 Cb 0.46 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2e5n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5n n GLY 4 N 2.40 -0.79 3.73 0.23 0.00 -1.26 -5.14 105.19 104.35 2e5n n GLY 4 Ca 0.08 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 2e5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5n s SER 5 N -4.00 -0.09 -0.02 1.61 0.01 -1.26 -5.07 113.70 104.87 2e5n s SER 5 Ca 0.00 -0.85 -0.25 0.00 1.31 0.00 0.00 55.95 56.16 2e5n s SER 5 Cb 0.00 0.69 -0.19 0.00 0.21 0.00 0.00 66.02 66.72 2e5n s SER 5 CO 0.00 -1.31 1.21 -1.28 0.41 0.00 0.00 173.24 172.27 2e5n h SER 6 N 2.10 -0.06 0.00 2.44 0.87 -2.01 -3.50 113.55 113.39 2e5n h SER 6 Ca -0.24 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2e5n h SER 6 Cb 1.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2e5n h SER 6 CO 0.31 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2e5n n GLY 7 N 0.22 0.42 3.27 5.77 0.00 -1.26 -5.13 105.19 108.49 2e5n n GLY 7 Ca -0.08 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 2e5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e5n s THR 8 N -4.00 0.16 -0.09 2.61 -4.23 -1.26 -5.08 115.64 103.75 2e5n s THR 8 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 2e5n s THR 8 Cb 0.00 -2.52 -0.28 0.00 1.34 0.00 0.00 72.50 71.04 2e5n s THR 8 CO 0.00 0.00 0.63 0.40 -0.54 0.00 0.00 174.62 175.11 2e5n h ILE 9 N 2.37 1.16 -0.54 2.99 1.08 -1.99 -3.36 117.51 119.22 2e5n h ILE 9 Ca -0.33 -2.42 0.11 0.00 -0.39 0.00 0.00 64.86 61.82 2e5n h ILE 9 Cb 1.25 2.82 -0.11 0.00 -3.07 0.00 0.00 36.82 37.71 2e5n h ILE 9 CO 0.50 0.69 -0.18 0.28 -0.69 0.00 0.00 178.15 178.76 2e5n h SER 10 N -0.36 -0.63 -0.88 1.72 0.02 -1.95 0.35 113.55 111.81 2e5n h SER 10 Ca -0.26 0.17 0.24 0.00 -0.84 0.00 0.00 61.79 61.10 2e5n h SER 10 Cb 1.70 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 64.57 2e5n h SER 10 CO 0.07 -0.21 0.62 1.56 -1.14 0.00 0.00 176.83 177.72 2e5n h GLN 11 N -0.05 0.14 -7.11 3.45 1.08 -2.01 -3.41 115.11 107.20 2e5n h GLN 11 Ca 0.25 -0.01 -0.49 0.00 -1.45 0.00 0.00 58.65 56.96 2e5n h GLN 11 Cb 0.44 -0.03 0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2e5n h GLN 11 CO -0.58 0.09 0.40 1.03 -0.95 0.00 0.00 178.83 178.82 2e5n s ARG 12 N -5.14 3.46 0.56 1.46 1.81 0.12 -5.01 118.95 116.21 2e5n s ARG 12 Ca -0.06 1.43 -0.19 0.00 -1.72 0.00 0.00 55.73 55.20 2e5n s ARG 12 Cb 0.22 -2.04 -0.05 0.00 -0.45 0.00 0.00 34.95 32.63 2e5n s ARG 12 CO 0.77 -0.73 1.13 -1.25 -0.68 0.00 0.00 175.30 174.55 2e5n s PRO 13 N -3.46 3.28 0.06 3.54 0.04 -1.26 -4.91 135.00 132.28 2e5n s PRO 13 Ca 0.69 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 2e5n s PRO 13 Cb -0.20 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2e5n s PRO 13 CO 0.27 -0.90 1.34 -0.92 0.04 0.00 0.00 177.00 176.83 2e5n h TYR 14 N 1.04 -0.90 -0.71 0.56 3.20 -1.94 -2.45 116.97 115.78 2e5n h TYR 14 Ca -0.50 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.51 2e5n h TYR 14 Cb 1.26 0.36 -0.12 0.00 1.54 0.00 0.00 36.73 39.76 2e5n h TYR 14 CO 0.52 -0.41 -0.23 -2.13 -1.64 0.00 0.00 178.16 174.27 2e5n n ARG 15 N -4.29 -0.12 0.14 1.82 0.63 -1.26 0.72 116.66 114.30 2e5n n ARG 15 Ca -0.07 1.10 -0.14 0.00 -0.92 0.00 0.00 57.85 57.82 2e5n n ARG 15 Cb 0.28 -1.64 -0.06 0.00 0.45 0.00 0.00 32.46 31.49 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 -0.87 -0.40 6.15 5.19 -1.87 0.20 116.42 124.82 2e5n h ASP 16 Ca 0.29 0.09 0.12 0.00 -0.62 0.00 0.00 57.03 56.91 2e5n h ASP 16 Cb 0.47 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 2e5n h ASP 16 CO -0.72 -0.41 0.32 0.03 -3.12 0.00 0.00 179.24 175.34 2e5n h ARG 17 N -0.57 0.00 0.14 3.56 3.08 0.76 0.29 114.38 121.64 2e5n h ARG 17 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2e5n h ARG 17 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2e5n h ARG 17 CO -0.14 0.00 -0.07 0.28 -1.07 0.00 0.00 179.97 178.97 2e5n h VAL 18 N 0.00 0.06 -0.23 2.04 2.07 0.45 -3.24 116.25 117.40 2e5n h VAL 18 Ca 0.19 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2e5n h VAL 18 Cb 0.83 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2e5n h VAL 18 CO -0.00 0.02 0.07 0.16 0.02 0.00 0.00 177.57 177.83 2e5n h ILE 19 N -1.05 0.93 -0.91 4.57 3.07 -0.36 -1.09 117.51 122.68 2e5n h ILE 19 Ca -0.02 -0.06 0.26 0.00 1.55 0.00 0.00 64.86 66.60 2e5n h ILE 19 Cb 0.18 0.75 -0.04 0.00 -0.27 0.00 0.00 36.82 37.44 2e5n h ILE 19 CO 0.03 0.03 0.74 0.45 -1.05 0.00 0.00 178.15 178.35 2e5n h HIS 20 N 0.17 0.00 0.01 0.16 3.86 -0.59 0.33 115.15 119.10 2e5n h HIS 20 Ca 0.10 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 2e5n h HIS 20 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2e5n h HIS 20 CO -0.13 0.00 -0.69 -0.07 0.86 0.00 0.00 177.93 177.90 2e5n h LEU 21 N 0.00 0.05 -1.94 2.43 3.38 -1.27 -3.35 115.31 114.61 2e5n h LEU 21 Ca 0.43 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2e5n h LEU 21 Cb 1.90 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 2e5n h LEU 21 CO -0.00 1.28 0.04 -0.07 0.09 0.00 0.00 178.44 179.77 2e5n h LEU 22 N -0.92 0.07 0.00 1.67 3.38 -0.03 -3.22 115.31 116.25 2e5n h LEU 22 Ca -0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2e5n h LEU 22 Cb 1.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2e5n h LEU 22 CO -0.08 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2e5n n ALA 23 N -2.53 -0.09 -0.33 1.53 0.00 0.10 -1.70 120.51 117.49 2e5n n ALA 23 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2e5n n ALA 23 Cb 0.09 0.26 0.31 0.00 0.00 0.00 0.00 19.45 20.11 2e5n n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2e5n n LEU 24 N -1.82 -0.07 -3.49 0.00 4.77 -1.22 -4.67 117.00 110.51 2e5n n LEU 24 Ca 0.00 1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 57.51 2e5n n LEU 24 Cb 0.00 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 2e5n n LEU 24 CO 0.00 -1.67 0.48 -1.59 -1.33 0.00 0.00 177.39 173.28 2e5n s LYS 25 N -5.91 1.22 0.38 3.23 -2.85 -0.69 -5.04 119.74 110.09 2e5n s LYS 25 Ca -0.12 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.10 2e5n s LYS 25 Cb 0.29 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.51 2e5n s LYS 25 CO 0.75 -0.54 1.20 0.00 0.10 0.00 0.00 175.35 176.86 2e5n s ALA 26 N -3.61 3.23 0.20 0.59 0.00 -1.22 -3.93 121.76 117.01 2e5n s ALA 26 Ca 0.03 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.09 2e5n s ALA 26 Cb -0.01 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2e5n s ALA 26 CO -0.10 -0.56 -0.09 0.71 0.00 0.00 0.00 175.76 175.72 2e5n s TYR 27 N -1.34 1.54 0.05 0.00 1.51 -0.64 -4.87 117.35 113.60 2e5n s TYR 27 Ca 0.55 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2e5n s TYR 27 Cb -0.33 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 2e5n s TYR 27 CO 0.42 0.17 0.16 0.15 -1.11 0.00 0.00 175.55 175.34 2e5n s LYS 28 N -3.73 3.26 0.17 -0.62 3.01 -1.26 -0.27 119.74 120.29 2e5n s LYS 28 Ca 0.22 -0.49 -0.15 0.00 -1.01 0.00 0.00 55.97 54.54 2e5n s LYS 28 Cb 0.02 -2.95 0.14 0.00 -1.01 0.00 0.00 37.83 34.03 2e5n s LYS 28 CO 0.05 0.61 1.18 1.17 0.51 0.00 0.00 175.35 178.88 2e5n n LYS 29 N 0.53 -0.21 0.00 1.68 3.00 -1.26 0.75 118.16 122.65 2e5n n LYS 29 Ca -0.08 1.17 -0.13 0.00 -0.00 0.00 0.00 58.31 59.28 2e5n n LYS 29 Cb 0.52 -1.73 -0.10 0.00 0.00 0.00 0.00 35.03 33.71 2e5n n LYS 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2e5n h PRO 30 N 0.00 -0.04 0.32 1.64 0.13 -1.98 -3.17 132.00 128.89 2e5n h PRO 30 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 2e5n h PRO 30 Cb 0.43 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2e5n h PRO 30 CO -0.75 0.43 -0.30 1.49 -0.23 0.00 0.00 178.00 178.64 2e5n h GLU 31 N -0.54 -0.59 -0.87 0.86 4.81 -1.32 -2.48 114.58 114.46 2e5n h GLU 31 Ca -0.00 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.53 2e5n h GLU 31 Cb 0.49 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.85 2e5n h GLU 31 CO 0.01 -0.39 0.12 -0.11 -0.73 0.00 0.00 179.01 177.90 2e5n n LEU 32 N -4.17 -0.01 0.37 1.64 0.00 0.23 -0.10 117.00 114.96 2e5n n LEU 32 Ca -0.07 1.48 -0.19 0.00 0.00 0.00 0.00 56.01 57.22 2e5n n LEU 32 Cb 0.28 -0.58 -0.10 0.00 0.00 0.00 0.00 43.42 43.02 2e5n n LEU 32 CO 0.16 -1.53 0.53 -0.07 0.00 0.00 0.00 177.39 176.48 2e5n h LEU 33 N 0.00 -1.31 -0.77 -1.96 3.38 -1.43 -2.27 115.31 110.95 2e5n h LEU 33 Ca 0.58 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.94 2e5n h LEU 33 Cb 1.29 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 42.33 2e5n h LEU 33 CO -0.79 -0.72 0.45 0.00 0.09 0.00 0.00 178.44 177.47 2e5n n ALA 34 N -2.77 0.78 -0.04 1.53 0.00 0.86 0.24 120.51 121.11 2e5n n ALA 34 Ca -0.14 0.66 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 2e5n n ALA 34 Cb 0.49 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 0.27 0.24 0.00 2.47 -1.33 -2.97 114.38 113.06 2e5n h ARG 35 Ca 0.59 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 2e5n h ARG 35 Cb 1.67 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 2e5n h ARG 35 CO -0.46 0.77 -0.11 -0.07 0.56 0.00 0.00 179.97 180.65 2e5n h LEU 36 N -0.19 -0.27 -1.43 3.04 3.38 0.33 -3.22 115.31 116.95 2e5n h LEU 36 Ca 0.00 -0.24 0.40 0.00 0.09 0.00 0.00 57.88 58.13 2e5n h LEU 36 Cb 0.76 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2e5n h LEU 36 CO 0.04 0.23 0.82 1.56 0.09 0.00 0.00 178.44 181.19 2e5n h GLN 37 N -0.92 0.14 -0.35 1.13 1.08 0.04 0.12 115.11 116.35 2e5n h GLN 37 Ca -0.03 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2e5n h GLN 37 Cb 0.49 -0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.80 2e5n h GLN 37 CO 0.05 0.09 -0.32 0.87 -0.95 0.00 0.00 178.83 178.58 2e5n h LYS 38 N 0.15 -0.26 0.00 1.46 1.57 -1.52 -0.68 116.57 117.28 2e5n h LYS 38 Ca 0.76 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.45 2e5n h LYS 38 Cb 2.36 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.71 2e5n h LYS 38 CO -0.37 -0.18 -0.56 -0.44 -0.57 0.00 0.00 179.45 177.33 2e5n h ASP 39 N -0.27 0.00 0.00 0.86 5.19 -0.94 -3.48 116.42 117.78 2e5n h ASP 39 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2e5n h ASP 39 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2e5n h ASP 39 CO -0.50 0.56 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2e5n n GLY 40 N 0.67 3.31 3.31 2.75 0.00 -0.26 -5.03 105.19 109.94 2e5n n GLY 40 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 1.91 -0.27 1.61 1.01 -1.26 -4.71 120.40 118.70 2e5n s VAL 41 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 2e5n s VAL 41 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2e5n s VAL 41 CO 0.00 0.21 0.64 0.20 0.00 0.00 0.00 175.10 176.14 2e5n s ASN 42 N -1.42 6.56 0.55 3.32 0.01 -1.26 -4.92 114.94 117.78 2e5n s ASN 42 Ca 0.10 0.64 0.41 0.00 -0.71 0.00 0.00 52.86 53.30 2e5n s ASN 42 Cb -0.10 -2.34 1.60 0.00 0.41 0.00 0.00 41.25 40.83 2e5n s ASN 42 CO 0.03 -0.41 1.71 0.06 -1.51 0.00 0.00 177.10 176.98 2e5n h GLN 43 N 7.98 0.00 -0.26 -0.60 3.07 -2.00 0.93 115.11 124.23 2e5n h GLN 43 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.28 2e5n h GLN 43 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 2e5n h GLN 43 CO 0.78 0.00 -0.58 -0.22 0.09 0.00 0.00 178.83 178.91 2e5n h LYS 44 N 0.00 0.86 0.00 0.06 1.63 -2.03 -3.13 116.57 113.96 2e5n h LYS 44 Ca 0.69 -0.57 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 2e5n h LYS 44 Cb 2.81 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 34.50 2e5n h LYS 44 CO -0.01 1.20 -0.58 -0.44 -3.45 0.00 0.00 179.45 176.18 2e5n h ASP 45 N 0.64 0.00 -0.68 4.20 5.19 0.42 -3.26 116.42 122.92 2e5n h ASP 45 Ca 0.00 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.55 2e5n h ASP 45 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.58 2e5n h ASP 45 CO 0.13 0.58 -0.12 0.11 -3.12 0.00 0.00 179.24 176.81 2e5n h LYS 46 N 0.00 0.03 -0.67 3.56 1.57 -1.04 0.41 116.57 120.43 2e5n h LYS 46 Ca -0.01 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2e5n h LYS 46 Cb 1.13 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 2e5n h LYS 46 CO 0.08 0.02 0.16 -0.97 -0.57 0.00 0.00 179.45 178.17 2e5n h ASN 47 N 0.03 1.01 -0.02 0.86 -1.24 -1.68 -2.65 115.58 111.89 2e5n h ASN 47 Ca 0.34 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 2e5n h ASN 47 Cb 0.54 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2e5n h ASN 47 CO -0.68 0.98 -0.13 0.77 -1.29 0.00 0.00 177.43 177.08 2e5n h SER 48 N 0.99 0.30 -0.69 1.15 4.64 -0.89 -3.12 113.55 115.94 2e5n h SER 48 Ca 0.21 -0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.57 2e5n h SER 48 Cb 0.36 -0.08 -0.12 0.00 -0.31 0.00 0.00 62.40 62.25 2e5n h SER 48 CO 0.00 0.47 -0.41 0.25 -0.87 0.00 0.00 176.83 176.27 2e5n h LEU 49 N 0.30 -1.44 -1.43 5.97 6.46 0.06 0.48 115.31 125.71 2e5n h LEU 49 Ca 0.06 0.26 0.25 0.00 -0.12 0.00 0.00 57.88 58.32 2e5n h LEU 49 Cb 0.42 0.69 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 2e5n h LEU 49 CO 0.02 -0.31 0.65 1.23 -0.62 0.00 0.00 178.44 179.42 2e5n h GLY 50 N -0.15 1.06 1.01 3.75 0.00 -1.65 0.80 103.07 107.88 2e5n h GLY 50 Ca 0.23 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 2e5n h GLY 50 CO -0.76 -0.08 -0.57 0.00 0.00 0.00 0.00 176.54 175.13 2e5n h ALA 51 N 1.61 0.28 -0.23 3.60 0.00 -0.25 -3.27 119.26 121.00 2e5n h ALA 51 Ca 0.55 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2e5n h ALA 51 Cb 1.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2e5n h ALA 51 CO -0.24 0.51 0.07 0.82 0.00 0.00 0.00 179.25 180.40 2e5n h ILE 52 N 0.34 1.20 -1.19 0.00 2.04 0.60 -2.07 117.51 118.43 2e5n h ILE 52 Ca -0.03 -0.62 0.34 0.00 1.00 0.00 0.00 64.86 65.55 2e5n h ILE 52 Cb 1.20 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.37 2e5n h ILE 52 CO 0.12 0.20 0.79 -0.07 0.00 0.00 0.00 178.15 179.19 2e5n h LEU 53 N 0.19 0.27 0.00 1.44 3.38 -1.01 1.28 115.31 120.86 2e5n h LEU 53 Ca 0.07 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2e5n h LEU 53 Cb 0.24 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2e5n h LEU 53 CO -0.00 -0.01 -0.83 -0.61 0.09 0.00 0.00 178.44 177.09 2e5n h GLN 54 N 0.20 0.00 0.00 1.13 4.15 -1.53 1.33 115.11 120.39 2e5n h GLN 54 Ca 0.66 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 60.01 2e5n h GLN 54 Cb 2.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.74 2e5n h GLN 54 CO -0.24 0.10 -0.68 1.96 -1.93 0.00 0.00 178.83 178.04 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.21 -3.38 115.11 114.70 2e5n h GLN 55 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2e5n h GLN 55 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2e5n h GLN 55 CO 0.02 0.21 -0.79 1.33 -0.95 0.00 0.00 178.83 178.64 2e5n n VAL 56 N -2.99 0.00 -4.62 -0.54 0.24 0.16 -5.05 118.33 105.52 2e5n n VAL 56 Ca -0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 2e5n n VAL 56 Cb 0.66 0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.64 3.39 -0.04 2.33 0.00 0.46 0.10 121.76 126.36 2e5n s ALA 57 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2e5n s ALA 57 Cb 0.00 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2e5n s ALA 57 CO 0.00 -0.20 -0.05 -0.80 0.00 0.00 0.00 175.76 174.71 2e5n s ASN 58 N -3.72 1.00 0.02 0.00 0.01 0.12 -3.66 114.94 108.71 2e5n s ASN 58 Ca 0.18 -0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 2e5n s ASN 58 Cb 0.03 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 2e5n s ASN 58 CO 0.10 -0.04 1.00 -0.22 -1.51 0.00 0.00 177.10 176.43 2e5n s LEU 59 N 0.83 4.38 -0.51 0.60 0.20 -1.26 -0.27 118.68 122.65 2e5n s LEU 59 Ca -0.12 1.71 -0.10 0.00 0.69 0.00 0.00 54.13 56.31 2e5n s LEU 59 Cb -0.14 -3.57 0.13 0.00 -0.43 0.00 0.00 46.19 42.17 2e5n s LEU 59 CO 0.01 -0.27 0.39 0.21 -0.29 0.00 0.00 176.35 176.40 2e5n s ASN 60 N 0.94 5.79 0.54 3.68 2.47 -0.44 -4.93 114.94 122.98 2e5n s ASN 60 Ca 0.52 -2.01 0.48 0.00 0.42 0.00 0.00 52.86 52.27 2e5n s ASN 60 Cb -0.22 -2.03 1.69 0.00 -1.45 0.00 0.00 41.25 39.23 2e5n s ASN 60 CO 0.28 -0.68 1.54 -0.24 -3.72 0.00 0.00 177.10 174.28 2e5n n SER 61 N 4.79 0.03 -0.04 -4.21 2.88 -1.26 0.98 113.62 116.79 2e5n n SER 61 Ca -0.06 1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 58.46 2e5n n SER 61 Cb 0.41 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 2e5n n SER 61 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2e5n h LYS 62 N 0.00 -0.13 -0.13 -1.46 1.63 -1.95 -3.18 116.57 111.35 2e5n h LYS 62 Ca 0.92 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.73 2e5n h LYS 62 Cb 3.63 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 35.29 2e5n h LYS 62 CO -0.07 -0.09 0.00 -0.25 -3.45 0.00 0.00 179.45 175.60 2e5n n ASP 63 N -3.54 2.76 -2.08 4.20 8.00 -0.32 -4.96 116.55 120.61 2e5n n ASP 63 Ca -0.01 -2.61 -0.12 0.00 0.71 0.00 0.00 54.79 52.75 2e5n n ASP 63 Cb 0.11 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e5n n LEU 64 N -0.62 -1.04 -4.87 0.64 4.77 0.27 -4.92 117.00 111.23 2e5n n LEU 64 Ca 0.13 0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.97 2e5n n LEU 64 Cb 0.57 -2.04 -0.06 0.00 -2.33 0.00 0.00 43.42 39.57 2e5n n LEU 64 CO 0.06 -0.29 -0.06 -0.94 -1.33 0.00 0.00 177.39 174.83 2e5n s SER 65 N -2.03 6.55 -0.31 -1.43 1.04 -1.22 -4.75 113.70 111.55 2e5n s SER 65 Ca 0.00 0.65 -0.22 0.00 0.48 0.00 0.00 55.95 56.86 2e5n s SER 65 Cb 0.00 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.98 2e5n s SER 65 CO 0.00 0.35 0.70 -0.31 0.98 0.00 0.00 173.24 174.96 2e5n s TYR 66 N -1.10 3.21 -0.23 5.02 2.02 0.62 -1.32 117.35 125.56 2e5n s TYR 66 Ca 0.20 0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 57.48 2e5n s TYR 66 Cb -0.14 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.27 2e5n s TYR 66 CO 0.09 -0.52 0.14 0.95 -1.57 0.00 0.00 175.55 174.64 2e5n s THR 67 N 2.77 5.26 0.15 -0.71 -4.23 0.62 -1.62 115.64 117.88 2e5n s THR 67 Ca 0.28 0.14 -0.33 0.00 -1.18 0.00 0.00 61.69 60.61 2e5n s THR 67 Cb -0.15 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.13 2e5n s THR 67 CO 0.12 0.37 1.70 -0.11 -0.54 0.00 0.00 174.62 176.16 2e5n n LEU 68 N 4.17 3.60 0.00 4.79 0.00 -1.26 0.16 117.00 128.46 2e5n n LEU 68 Ca -0.15 1.05 -0.14 0.00 0.00 0.00 0.00 56.01 56.77 2e5n n LEU 68 Cb 0.52 -1.49 0.13 0.00 0.00 0.00 0.00 43.42 42.58 2e5n n LEU 68 CO 0.35 -0.03 0.16 0.29 0.00 0.00 0.00 177.39 178.16 2e5n n LYS 69 N 4.31 -1.25 -0.09 1.96 5.02 0.12 -4.86 118.16 123.38 2e5n n LYS 69 Ca 0.17 -0.66 -0.20 0.00 -2.02 0.00 0.00 58.31 55.61 2e5n n LYS 69 Cb 0.32 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.27 2.02 -0.15 4.39 9.92 -1.26 -4.33 116.55 125.87 2e5n n ASP 70 Ca 0.06 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 2e5n n ASP 70 Cb 0.27 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 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 -0.05 0.88 -0.97 1.24 -0.00 -1.94 -2.86 116.97 113.28 2e5n h TYR 71 Ca -0.53 -0.17 0.24 0.00 -0.00 0.00 0.00 58.73 58.27 2e5n h TYR 71 Cb 1.92 -0.23 -0.07 0.00 -0.00 0.00 0.00 36.73 38.35 2e5n h TYR 71 CO 0.04 0.87 0.64 0.28 -0.00 0.00 0.00 178.16 180.00 2e5n h VAL 72 N 0.64 0.60 -1.23 -0.90 2.07 -1.87 0.10 116.25 115.65 2e5n h VAL 72 Ca 0.12 -0.12 0.36 0.00 0.82 0.00 0.00 66.70 67.88 2e5n h VAL 72 Cb 0.54 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2e5n h VAL 72 CO 0.03 0.06 0.87 -0.26 0.02 0.00 0.00 177.57 178.29 2e5n h PHE 73 N 0.34 0.14 -0.01 1.57 0.04 -1.69 1.09 116.94 118.41 2e5n h PHE 73 Ca 0.51 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 61.14 2e5n h PHE 73 Cb 1.41 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 2e5n h PHE 73 CO -0.00 -0.00 -0.70 1.57 -0.60 0.00 0.00 178.31 178.58 2e5n h LYS 74 N 0.07 0.07 -0.03 1.51 2.10 -0.98 -3.09 116.57 116.22 2e5n h LYS 74 Ca 0.61 -0.06 -0.13 0.00 -2.00 0.00 0.00 60.65 59.08 2e5n h LYS 74 Cb 2.28 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.61 2e5n h LYS 74 CO -0.08 0.74 -0.57 0.93 -2.00 0.00 0.00 179.45 178.47 2e5n h GLU 75 N 0.05 0.09 -6.30 0.07 5.08 0.11 -3.46 114.58 110.23 2e5n h GLU 75 Ca -0.01 -0.06 -0.49 0.00 -1.00 0.00 0.00 59.36 57.80 2e5n h GLU 75 Cb 1.24 0.01 0.25 0.00 0.50 0.00 0.00 28.75 30.74 2e5n h GLU 75 CO 0.10 0.64 -1.89 1.28 -1.00 0.00 0.00 179.01 178.13 2e5n n LEU 76 N -3.88 -2.91 -4.04 1.33 4.77 -0.88 -4.97 117.00 106.43 2e5n n LEU 76 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 2e5n n LEU 76 Cb 0.58 -0.75 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 2e5n n LEU 76 CO 0.42 -3.22 -0.47 -1.10 -1.33 0.00 0.00 177.39 171.69 2e5n s GLN 77 N -2.64 2.23 0.60 3.23 -0.21 -1.26 -4.98 119.66 116.62 2e5n s GLN 77 Ca 0.45 -1.02 0.29 0.00 0.02 0.00 0.00 55.36 55.10 2e5n s GLN 77 Cb -0.03 -2.62 1.60 0.00 1.00 0.00 0.00 33.01 32.96 2e5n s GLN 77 CO 0.68 -0.45 2.01 0.00 -2.12 0.00 0.00 175.29 175.41 2e5n h ARG 78 N 7.90 0.00 -1.01 2.91 2.47 -1.97 0.22 114.38 124.90 2e5n h ARG 78 Ca -0.27 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.97 2e5n h ARG 78 Cb 1.08 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.12 2e5n h ARG 78 CO 0.49 0.00 0.61 -0.40 0.56 0.00 0.00 179.97 181.24 2e5n n ASP 79 N -3.69 3.96 -4.65 7.04 5.75 -1.26 -4.96 116.55 118.74 2e5n n ASP 79 Ca 0.04 -3.48 -0.42 0.00 -0.01 0.00 0.00 54.79 50.92 2e5n n ASP 79 Cb 0.46 -0.82 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2e5n s TRP 80 N -3.03 2.00 -1.35 2.11 -0.11 0.77 -4.86 118.94 114.47 2e5n s TRP 80 Ca 0.52 0.27 0.15 0.00 1.22 0.00 0.00 56.10 58.26 2e5n s TRP 80 Cb 0.44 -3.91 0.72 0.00 -1.50 0.00 0.00 33.47 29.21 2e5n s TRP 80 CO 0.09 -3.67 1.42 -0.35 -4.62 0.00 0.00 176.95 169.82 2e5n n PRO 81 N 7.23 0.17 0.09 5.86 -0.04 -1.26 -2.37 135.00 144.68 2e5n n PRO 81 Ca 0.18 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 2e5n n PRO 81 Cb 0.43 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.68 2e5n n PRO 81 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2e5n h GLY 82 N 2.44 0.00 -7.14 0.55 0.00 -1.97 -3.44 103.07 93.51 2e5n h GLY 82 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 2e5n h GLY 82 CO 0.00 0.00 -0.07 -0.19 0.00 0.00 0.00 176.54 176.28 2e5n s TYR 83 N -3.14 3.19 1.02 5.60 2.02 -1.00 -5.00 117.35 120.05 2e5n s TYR 83 Ca 0.08 0.20 -0.16 0.00 -0.37 0.00 0.00 57.07 56.82 2e5n s TYR 83 Cb 0.12 -2.88 0.21 0.00 -0.40 0.00 0.00 41.96 39.01 2e5n s TYR 83 CO 0.65 -0.51 1.21 -1.12 -1.57 0.00 0.00 175.55 174.22 2e5n s SER 84 N 1.74 2.59 0.61 2.29 0.01 -1.26 -4.38 113.70 115.30 2e5n s SER 84 Ca 0.18 0.56 0.24 0.00 1.31 0.00 0.00 55.95 58.24 2e5n s SER 84 Cb -0.16 -0.80 0.95 0.00 0.21 0.00 0.00 66.02 66.23 2e5n s SER 84 CO 0.13 -3.09 1.40 -0.08 0.41 0.00 0.00 173.24 172.01 2e5n h GLU 85 N -1.87 0.00 0.00 12.44 4.81 -2.00 -1.34 114.58 126.62 2e5n h GLU 85 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2e5n h GLU 85 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2e5n h GLU 85 CO 0.43 0.00 -0.46 -0.89 -0.73 0.00 0.00 179.01 177.37 2e5n n ILE 86 N -3.23 1.04 -0.32 2.32 2.08 -1.26 -4.16 119.36 115.83 2e5n n ILE 86 Ca 0.17 0.28 -0.04 0.00 0.56 0.00 0.00 62.75 63.72 2e5n n ILE 86 Cb 1.27 -2.14 -0.02 0.00 -0.75 0.00 0.00 39.64 38.00 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 -3.95 -0.67 -0.20 4.38 9.92 -0.58 -0.29 116.55 125.16 2e5n n ASP 87 Ca -0.06 1.41 -0.13 0.00 -0.53 0.00 0.00 54.79 55.48 2e5n n ASP 87 Cb 0.24 -0.26 -0.10 0.00 -0.64 0.00 0.00 41.12 40.36 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 -0.29 0.00 -1.24 3.08 -1.56 0.92 114.38 115.29 2e5n h ARG 88 Ca 0.21 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2e5n h ARG 88 Cb 0.41 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2e5n h ARG 88 CO -0.78 -0.19 -0.01 0.07 -1.07 0.00 0.00 179.97 177.99 2e5n h ARG 89 N -0.30 0.00 0.00 0.04 0.11 -0.81 0.20 114.38 113.61 2e5n h ARG 89 Ca 0.09 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.10 2e5n h ARG 89 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2e5n h ARG 89 CO -0.67 0.01 -0.72 1.03 0.10 0.00 0.00 179.97 179.72 2e5n h SER 90 N 0.00 0.00 0.24 0.08 0.87 0.31 -3.35 113.55 111.71 2e5n h SER 90 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2e5n h SER 90 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2e5n h SER 90 CO 0.00 0.31 -1.98 -0.11 -0.53 0.00 0.00 176.83 174.52 2e5n n LEU 91 N -3.00 1.78 0.27 2.23 0.00 0.24 -3.91 117.00 114.61 2e5n n LEU 91 Ca -0.01 0.23 0.14 0.00 0.00 0.00 0.00 56.01 56.38 2e5n n LEU 91 Cb 0.68 -0.47 0.77 0.00 0.00 0.00 0.00 43.42 44.39 2e5n n LEU 91 CO 0.40 0.66 1.02 1.05 0.00 0.00 0.00 177.39 180.52 2e5n h GLU 92 N 0.03 0.00 0.00 1.96 4.11 -0.82 -1.72 114.58 118.14 2e5n h GLU 92 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2e5n h GLU 92 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2e5n h GLU 92 CO 0.06 0.00 -0.29 1.03 0.07 0.00 0.00 179.01 179.88 2e5n h SER 93 N 0.00 0.00 -0.94 3.06 0.87 -1.70 -3.20 113.55 111.63 2e5n h SER 93 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 2e5n h SER 93 Cb 0.39 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.22 2e5n h SER 93 CO 0.00 0.50 0.44 1.62 -0.53 0.00 0.00 176.83 178.86 2e5n h VAL 94 N -0.71 0.38 0.00 2.23 3.04 -1.61 1.22 116.25 120.80 2e5n h VAL 94 Ca 0.00 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.52 2e5n h VAL 94 Cb 0.29 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.56 2e5n h VAL 94 CO 0.00 0.06 -0.23 -0.07 -1.01 0.00 0.00 177.57 176.33 2e5n h LEU 95 N 0.35 0.00 0.19 3.16 3.38 -1.51 0.01 115.31 120.89 2e5n h LEU 95 Ca 0.63 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.34 2e5n h LEU 95 Cb 1.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.08 2e5n h LEU 95 CO -0.58 0.23 -1.14 -1.28 0.09 0.00 0.00 178.44 175.76 2e5n h SER 96 N 0.00 0.67 0.37 -0.43 0.87 0.14 -1.87 113.55 113.29 2e5n h SER 96 Ca -0.00 -0.93 -0.21 0.00 -1.23 0.00 0.00 61.79 59.42 2e5n h SER 96 Cb 0.70 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2e5n h SER 96 CO 0.03 1.55 -0.87 0.03 -0.53 0.00 0.00 176.83 177.04 2e5n h ARG 97 N -0.09 0.36 0.22 2.24 3.08 -0.79 -3.34 114.38 116.06 2e5n h ARG 97 Ca -0.20 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 2e5n h ARG 97 Cb 1.89 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.04 2e5n h ARG 97 CO 0.21 1.04 -0.10 0.87 -1.07 0.00 0.00 179.97 180.92 2e5n h LYS 98 N 0.22 -0.28 -6.14 0.04 1.79 -1.10 -3.40 116.57 107.70 2e5n h LYS 98 Ca -0.06 0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.90 2e5n h LYS 98 Cb 1.49 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 32.12 2e5n h LYS 98 CO 0.15 0.04 1.25 -0.51 -1.08 0.00 0.00 179.45 179.29 2e5n s LEU 99 N -8.96 3.33 0.00 2.94 1.43 -0.70 -5.08 118.68 111.64 2e5n s LEU 99 Ca -0.10 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2e5n s LEU 99 Cb 0.00 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2e5n s LEU 99 CO 0.35 -1.85 0.53 -0.46 0.23 0.00 0.00 176.35 175.15