#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1csv n GLU -4 N 0.00 2.89 -4.33 1.09 1.02 -1.26 -4.99 120.64 115.06 1csv n GLU -4 Ca 0.00 -1.50 -0.34 0.00 -0.02 0.00 0.00 57.16 55.31 1csv n GLU -4 Cb 0.00 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1csv n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1csv s PHE -3 N -0.97 3.07 -0.04 -0.32 5.36 -1.26 -5.08 117.98 118.73 1csv s PHE -3 Ca 0.01 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 1csv s PHE -3 Cb 0.00 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1csv s PHE -3 CO 0.01 0.04 -0.13 0.15 -1.46 0.00 0.00 175.22 173.83 1csv s LYS -2 N 0.25 1.46 0.31 10.12 1.02 -1.26 -5.12 119.74 126.52 1csv s LYS -2 Ca -0.01 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 1csv s LYS -2 Cb -0.14 -1.28 -0.09 0.00 -0.52 0.00 0.00 37.83 35.80 1csv s LYS -2 CO 0.02 0.15 0.98 0.00 -0.92 0.00 0.00 175.35 175.58 1csv s ALA -1 N 0.23 3.25 0.00 5.17 0.00 -1.26 -4.68 121.76 124.47 1csv s ALA -1 Ca -0.06 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1csv s ALA -1 Cb -0.11 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1csv s ALA -1 CO 0.02 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1csv n GLY 1 N 0.85 5.30 3.54 0.00 0.00 -1.26 -5.01 105.19 108.62 1csv n GLY 1 Ca 0.01 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1csv n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1csv s SER 2 N 1.00 5.69 0.40 1.61 0.15 -1.26 -4.92 113.70 116.37 1csv s SER 2 Ca 0.00 -0.07 0.13 0.00 0.70 0.00 0.00 55.95 56.71 1csv s SER 2 Cb 0.00 -2.04 0.83 0.00 -1.71 0.00 0.00 66.02 63.10 1csv s SER 2 CO 0.00 -0.03 1.90 0.00 1.20 0.00 0.00 173.24 176.31 1csv h ALA 3 N 8.20 1.51 0.08 5.45 0.00 -1.88 0.19 119.26 132.82 1csv h ALA 3 Ca -0.36 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 1csv h ALA 3 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1csv h ALA 3 CO 0.57 0.36 -1.14 0.87 0.00 0.00 0.00 179.25 179.92 1csv h LYS 4 N 0.02 0.22 -0.09 0.00 1.57 -1.93 -0.92 116.57 115.44 1csv h LYS 4 Ca 0.00 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1csv h LYS 4 Cb 0.51 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1csv h LYS 4 CO 0.04 1.14 0.00 -0.22 -0.57 0.00 0.00 179.45 179.84 1csv h LYS 5 N 0.07 0.16 -0.07 3.15 1.63 -1.81 -2.89 116.57 116.81 1csv h LYS 5 Ca -0.10 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1csv h LYS 5 Cb 1.86 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.47 1csv h LYS 5 CO 0.18 0.40 -0.12 0.78 -3.45 0.00 0.00 179.45 177.25 1csv h GLY 6 N -0.11 0.11 1.00 5.01 0.00 -0.66 -1.44 103.07 106.97 1csv h GLY 6 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1csv h GLY 6 CO 0.00 0.06 0.28 0.00 0.00 0.00 0.00 176.54 176.88 1csv h ALA 7 N 1.79 0.80 0.00 3.60 0.00 -0.99 -1.84 119.26 122.61 1csv h ALA 7 Ca 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1csv h ALA 7 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1csv h ALA 7 CO 0.02 0.38 -0.43 1.79 0.00 0.00 0.00 179.25 181.00 1csv h THR 8 N 0.85 0.75 -0.14 0.00 1.35 -1.16 -2.26 112.91 112.30 1csv h THR 8 Ca 0.21 -2.04 -0.16 0.00 -0.55 0.00 0.00 66.41 63.87 1csv h THR 8 Cb 0.14 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1csv h THR 8 CO -0.02 0.42 -0.59 -0.07 -0.25 0.00 0.00 175.52 175.00 1csv h LEU 9 N 0.00 0.53 0.05 3.87 3.38 -1.06 -2.07 115.31 120.01 1csv h LEU 9 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1csv h LEU 9 Cb 1.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1csv h LEU 9 CO 0.06 1.00 -0.03 0.15 0.09 0.00 0.00 178.44 179.72 1csv h PHE 10 N 0.35 -0.07 -0.33 1.13 3.57 -1.20 0.26 116.94 120.66 1csv h PHE 10 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1csv h PHE 10 Cb 1.14 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1csv h PHE 10 CO 0.04 0.11 0.18 0.87 -2.23 0.00 0.00 178.31 177.28 1csv h LYS 11 N -0.23 0.36 0.00 1.11 1.57 -1.36 1.27 116.57 119.29 1csv h LYS 11 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1csv h LYS 11 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1csv h LYS 11 CO 0.01 0.24 0.00 1.79 -0.57 0.00 0.00 179.45 180.92 1csv h THR 12 N 0.37 0.00 0.00 -0.16 1.35 -1.33 -3.35 112.91 109.79 1csv h THR 12 Ca 0.13 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1csv h THR 12 Cb 0.02 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1csv h THR 12 CO -0.07 0.00 -0.45 0.54 -0.25 0.00 0.00 175.52 175.29 1csv n ARG 13 N -2.89 2.85 0.00 4.72 5.12 0.90 -4.93 116.66 122.43 1csv n ARG 13 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1csv n ARG 13 Cb 0.49 -0.67 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 1csv n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1csv h LEU 15 N 0.00 0.00 -1.54 0.00 5.85 -0.45 -2.03 115.31 117.13 1csv h LEU 15 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1csv h LEU 15 Cb 0.81 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1csv h LEU 15 CO 0.00 0.00 0.41 -0.61 -0.34 0.00 0.00 178.44 177.90 1csv h GLN 16 N 0.00 0.53 0.00 1.25 4.15 -1.82 -3.23 115.11 115.98 1csv h GLN 16 Ca 0.20 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1csv h GLN 16 Cb 0.89 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1csv h GLN 16 CO -0.00 0.35 0.00 0.00 -1.93 0.00 0.00 178.83 177.25 1csv s HIS 18 N -0.35 -0.15 0.17 0.00 3.76 -0.87 -0.11 115.29 117.74 1csv s HIS 18 Ca 0.00 -0.00 0.10 0.00 -0.15 0.00 0.00 55.06 55.01 1csv s HIS 18 Cb 0.00 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 1csv s HIS 18 CO 0.00 -0.56 -0.21 0.95 -0.85 0.00 0.00 174.74 174.07 1csv s THR 19 N -2.82 2.03 -0.02 1.30 -4.23 -1.26 -4.18 115.64 106.46 1csv s THR 19 Ca -0.03 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1csv s THR 19 Cb 0.00 -1.92 -0.09 0.00 1.34 0.00 0.00 72.50 71.83 1csv s THR 19 CO -0.05 -0.19 0.13 1.33 -0.54 0.00 0.00 174.62 175.30 1csv n VAL 20 N 0.41 0.00 -2.16 2.29 0.24 -1.26 -0.28 118.33 117.57 1csv n VAL 20 Ca -0.14 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.34 61.65 1csv n VAL 20 Cb 0.56 0.39 -0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1csv n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1csv s GLU 21 N -2.37 3.69 -0.07 7.34 8.01 -1.26 -3.36 118.70 130.68 1csv s GLU 21 Ca -0.02 1.89 -0.30 0.00 0.01 0.00 0.00 54.97 56.56 1csv s GLU 21 Cb 0.04 -2.43 -0.04 0.00 -4.31 0.00 0.00 34.13 27.38 1csv s GLU 21 CO 0.24 -0.64 1.51 0.21 0.01 0.00 0.00 175.26 176.59 1csv s LYS 22 N -2.66 4.21 0.00 1.61 2.47 -1.26 -0.83 119.74 123.27 1csv s LYS 22 Ca 0.64 2.02 0.00 0.00 -1.56 0.00 0.00 55.97 57.07 1csv s LYS 22 Cb -0.32 -3.86 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1csv s LYS 22 CO 0.39 -0.77 0.00 0.41 0.16 0.00 0.00 175.35 175.54 1csv n GLY 23 N 3.92 1.00 3.79 5.54 0.00 -1.26 -5.02 105.19 113.15 1csv n GLY 23 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1csv n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csv s GLY 24 N -1.80 2.72 0.61 -0.02 0.00 -0.01 -5.04 107.32 103.78 1csv s GLY 24 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 44.72 45.25 1csv s GLY 24 CO 0.00 1.00 0.91 2.56 0.00 0.00 0.00 173.10 177.58 1csv s PRO 25 N -2.38 2.72 0.32 2.90 0.04 -1.26 -4.72 135.00 132.62 1csv s PRO 25 Ca 0.55 -0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 1csv s PRO 25 Cb -0.19 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 1csv s PRO 25 CO 0.24 -0.82 0.78 -1.01 0.04 0.00 0.00 177.00 176.23 1csv s HIS 26 N -3.03 3.43 0.00 0.56 3.76 -1.26 -4.10 115.29 114.65 1csv s HIS 26 Ca 0.55 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 1csv s HIS 26 Cb -0.11 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.96 1csv s HIS 26 CO 0.44 0.11 0.00 1.63 -0.85 0.00 0.00 174.74 176.07 1csv n LYS 27 N -0.17 0.28 -0.17 1.40 5.02 -1.26 -4.93 118.16 118.32 1csv n LYS 27 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1csv n LYS 27 Cb 0.53 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.60 1csv n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1csv h VAL 28 N 0.00 0.58 -2.58 -0.18 2.07 -1.86 -3.41 116.25 110.86 1csv h VAL 28 Ca 0.00 -0.04 -0.47 0.00 0.82 0.00 0.00 66.70 67.01 1csv h VAL 28 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1csv h VAL 28 CO 0.00 0.02 -0.27 -0.83 0.02 0.00 0.00 177.57 176.51 1csv s GLY 29 N -3.19 1.30 0.50 2.17 0.00 0.84 -5.07 107.32 103.87 1csv s GLY 29 Ca -0.14 -1.02 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 1csv s GLY 29 CO 0.73 -0.99 0.95 2.56 0.00 0.00 0.00 173.10 176.34 1csv s PRO 30 N -4.20 3.90 0.50 2.90 0.04 -1.26 -4.59 135.00 132.28 1csv s PRO 30 Ca 0.38 0.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 1csv s PRO 30 Cb -0.09 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1csv s PRO 30 CO 0.34 -0.24 1.35 1.21 0.04 0.00 0.00 177.00 179.69 1csv s ASN 31 N -3.15 5.63 -0.01 6.66 3.84 -1.26 -4.47 114.94 122.18 1csv s ASN 31 Ca 0.57 2.75 0.22 0.00 0.21 0.00 0.00 52.86 56.62 1csv s ASN 31 Cb -0.10 -2.64 0.65 0.00 -0.55 0.00 0.00 41.25 38.62 1csv s ASN 31 CO 0.33 -1.32 1.55 0.18 -2.79 0.00 0.00 177.10 175.04 1csv n LEU 32 N -0.63 4.01 -4.73 3.21 4.77 0.61 -4.96 117.00 119.29 1csv n LEU 32 Ca 0.08 -2.02 -0.42 0.00 -0.03 0.00 0.00 56.01 53.62 1csv n LEU 32 Cb 0.44 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1csv n LEU 32 CO 0.54 0.98 1.19 -2.28 -1.33 0.00 0.00 177.39 176.50 1csv s HIS 33 N -1.04 3.01 -1.16 -1.77 2.46 -1.21 -2.82 115.29 112.76 1csv s HIS 33 Ca 0.49 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.80 1csv s HIS 33 Cb 0.26 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 1csv s HIS 33 CO 0.33 -3.19 0.00 0.41 -2.47 0.00 0.00 174.74 169.82 1csv n GLY 34 N 3.06 1.22 0.28 1.59 0.00 0.45 -4.95 105.19 106.84 1csv n GLY 34 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1csv n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1csv h ILE 35 N 0.00 1.08 -4.02 -0.61 6.09 -1.74 -3.38 117.51 114.94 1csv h ILE 35 Ca -0.22 -0.25 -0.48 0.00 -1.37 0.00 0.00 64.86 62.53 1csv h ILE 35 Cb 0.72 0.82 0.03 0.00 0.47 0.00 0.00 36.82 38.85 1csv h ILE 35 CO 0.33 0.10 0.41 -0.36 -3.07 0.00 0.00 178.15 175.55 1csv s PHE 36 N -5.19 3.07 0.00 2.19 0.08 -1.26 -1.93 117.98 114.94 1csv s PHE 36 Ca -0.07 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1csv s PHE 36 Cb 0.17 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 1csv s PHE 36 CO 0.71 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 175.38 1csv n GLY 37 N 0.08 2.41 3.79 4.36 0.00 0.92 -4.96 105.19 111.79 1csv n GLY 37 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1csv n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1csv s ARG 38 N 0.00 3.91 0.13 1.61 3.52 -0.81 -4.58 118.95 122.72 1csv s ARG 38 Ca 0.00 1.41 -0.02 0.00 -0.13 0.00 0.00 55.73 56.99 1csv s ARG 38 Cb 0.00 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1csv s ARG 38 CO 0.00 -0.34 0.31 -1.01 -0.81 0.00 0.00 175.30 173.45 1csv s HIS 39 N -1.88 3.49 0.67 5.12 3.76 -1.25 0.14 115.29 125.33 1csv s HIS 39 Ca 0.64 0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.75 1csv s HIS 39 Cb -0.18 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 1csv s HIS 39 CO 0.22 0.48 1.10 -1.13 -0.85 0.00 0.00 174.74 174.57 1csv n SER 40 N -0.04 1.18 -2.16 1.40 3.41 0.90 -3.64 113.62 114.68 1csv n SER 40 Ca -0.04 0.76 -0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1csv n SER 40 Cb 0.52 -1.46 0.03 0.00 -0.26 0.00 0.00 64.21 63.04 1csv n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1csv n GLY 41 N 1.07 -0.10 0.00 5.00 0.00 -1.26 -4.69 105.19 105.20 1csv n GLY 41 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1csv n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1csv n GLN 42 N -3.02 2.16 -2.74 1.61 1.13 -1.24 -4.94 117.38 110.35 1csv n GLN 42 Ca -0.06 -1.23 -0.41 0.00 -1.94 0.00 0.00 57.00 53.37 1csv n GLN 42 Cb 0.57 -0.88 -0.05 0.00 0.11 0.00 0.00 30.24 30.00 1csv n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1csv s ALA 43 N -0.73 3.28 0.22 -1.58 0.00 -1.26 -5.00 121.76 116.69 1csv s ALA 43 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1csv s ALA 43 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1csv s ALA 43 CO 0.00 0.05 0.95 -1.21 0.00 0.00 0.00 175.76 175.55 1csv s GLU 44 N -0.37 4.82 -0.00 0.00 2.02 -1.26 -3.25 118.70 120.66 1csv s GLU 44 Ca 0.45 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.94 1csv s GLU 44 Cb -0.24 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1csv s GLU 44 CO 0.30 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1csv n GLY 45 N 1.61 0.48 3.30 -1.39 0.00 -1.26 -5.03 105.19 102.90 1csv n GLY 45 Ca -0.01 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1csv n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1csv s TYR 46 N -2.00 2.60 -0.51 1.61 5.04 -1.20 -5.06 117.35 117.83 1csv s TYR 46 Ca 0.00 -0.74 -0.14 0.00 -2.44 0.00 0.00 57.07 53.75 1csv s TYR 46 Cb 0.00 -1.70 0.12 0.00 0.35 0.00 0.00 41.96 40.73 1csv s TYR 46 CO 0.00 -0.23 0.45 0.45 -1.34 0.00 0.00 175.55 174.87 1csv s SER 47 N 0.05 6.06 0.12 4.32 0.15 -1.26 -4.90 113.70 118.25 1csv s SER 47 Ca -0.08 -1.75 -0.07 0.00 0.70 0.00 0.00 55.95 54.75 1csv s SER 47 Cb -0.15 -2.16 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1csv s SER 47 CO 0.05 -0.79 0.39 -0.31 1.20 0.00 0.00 173.24 173.79 1csv s TYR 48 N 1.55 3.51 1.16 3.44 1.51 -1.26 -5.09 117.35 122.16 1csv s TYR 48 Ca 0.04 0.65 -0.18 0.00 -1.01 0.00 0.00 57.07 56.57 1csv s TYR 48 Cb -0.28 -2.07 0.19 0.00 -0.11 0.00 0.00 41.96 39.69 1csv s TYR 48 CO 0.03 0.46 0.34 0.25 -1.11 0.00 0.00 175.55 175.52 1csv n THR 49 N 0.38 0.00 0.08 -0.71 -2.24 -1.26 -4.86 114.28 105.67 1csv n THR 49 Ca -0.04 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1csv n THR 49 Cb 0.52 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1csv n THR 49 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1csv h ASP 50 N -2.55 0.31 0.27 3.42 3.32 -1.99 -3.17 116.42 116.05 1csv h ASP 50 Ca -0.47 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.34 1csv h ASP 50 Cb 1.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1csv h ASP 50 CO 0.33 1.02 -0.26 0.00 -1.72 0.00 0.00 179.24 178.61 1csv h ALA 51 N 0.96 -0.55 0.24 3.45 0.00 -1.85 -2.57 119.26 118.94 1csv h ALA 51 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1csv h ALA 51 Cb 1.46 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1csv h ALA 51 CO 0.13 -0.84 -0.12 -0.97 0.00 0.00 0.00 179.25 177.46 1csv h ASN 52 N -0.57 -0.27 -0.58 0.00 -0.73 -1.89 -2.92 115.58 108.61 1csv h ASN 52 Ca -0.01 -0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.21 1csv h ASN 52 Cb 0.52 0.07 -0.09 0.00 0.27 0.00 0.00 38.32 39.09 1csv h ASN 52 CO -0.05 -0.17 -0.53 0.40 -0.37 0.00 0.00 177.43 176.70 1csv h ILE 53 N -0.35 0.00 0.00 2.57 1.08 -1.50 -2.14 117.51 117.17 1csv h ILE 53 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1csv h ILE 53 Cb 0.27 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 1csv h ILE 53 CO 0.05 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.80 1csv n LYS 54 N -5.16 0.06 0.10 2.37 4.76 -0.98 -2.78 118.16 116.53 1csv n LYS 54 Ca -0.01 0.11 -0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1csv n LYS 54 Cb 0.29 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.05 1csv n LYS 54 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1csv h LYS 55 N 0.00 0.09 -7.03 1.97 1.63 -1.18 -3.47 116.57 108.59 1csv h LYS 55 Ca 0.00 -0.09 -0.60 0.00 -0.85 0.00 0.00 60.65 59.11 1csv h LYS 55 Cb 0.35 0.02 -0.25 0.00 -0.60 0.00 0.00 32.23 31.75 1csv h LYS 55 CO 0.00 0.80 -0.93 -1.71 -3.45 0.00 0.00 179.45 174.16 1csv n ASN 56 N -3.70 -0.59 -4.75 4.20 4.05 -1.12 -4.89 115.26 108.47 1csv n ASN 56 Ca -0.02 -1.21 -0.41 0.00 0.45 0.00 0.00 54.58 53.39 1csv n ASN 56 Cb 0.72 -1.88 -0.03 0.00 1.23 0.00 0.00 39.78 39.81 1csv n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1csv s VAL 57 N -3.84 3.43 -0.34 3.44 1.01 -1.26 -4.76 120.40 118.08 1csv s VAL 57 Ca 0.37 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.46 1csv s VAL 57 Cb -0.21 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1csv s VAL 57 CO 0.99 0.25 0.46 -0.22 0.00 0.00 0.00 175.10 176.58 1csv s LEU 58 N -0.76 4.36 -0.31 3.92 1.98 -1.26 -0.07 118.68 126.55 1csv s LEU 58 Ca 0.50 -0.07 -0.27 0.00 -2.89 0.00 0.00 54.13 51.41 1csv s LEU 58 Cb -0.33 -2.51 0.01 0.00 0.66 0.00 0.00 46.19 44.02 1csv s LEU 58 CO 0.40 -0.42 0.96 0.26 -1.89 0.00 0.00 176.35 175.65 1csv s TRP 59 N 2.26 3.19 0.03 5.38 0.52 0.37 -4.86 118.94 125.83 1csv s TRP 59 Ca 0.16 1.06 -0.00 0.00 0.02 0.00 0.00 56.10 57.34 1csv s TRP 59 Cb -0.16 -3.47 -0.03 0.00 -1.15 0.00 0.00 33.47 28.66 1csv s TRP 59 CO 0.13 -0.66 -0.03 0.16 0.02 0.00 0.00 176.95 176.56 1csv s ASP 60 N 1.61 0.37 0.43 2.95 1.47 -1.26 0.31 116.67 122.55 1csv s ASP 60 Ca 0.40 -0.72 0.17 0.00 1.18 0.00 0.00 52.55 53.58 1csv s ASP 60 Cb -0.13 0.14 1.10 0.00 -0.34 0.00 0.00 42.92 43.69 1csv s ASP 60 CO 0.13 -0.43 1.90 1.05 0.68 0.00 0.00 175.17 178.50 1csv h GLU 61 N 3.98 0.37 -0.39 2.11 4.11 -1.99 -2.40 114.58 120.37 1csv h GLU 61 Ca -0.33 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 58.95 1csv h GLU 61 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1csv h GLU 61 CO 0.52 0.24 -0.26 -0.91 0.07 0.00 0.00 179.01 178.68 1csv h ASN 62 N 0.38 0.83 -0.09 3.06 2.35 -1.98 -3.18 115.58 116.96 1csv h ASN 62 Ca 0.41 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1csv h ASN 62 Cb 1.02 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 1csv h ASN 62 CO -0.13 1.05 -0.11 -1.13 -1.65 0.00 0.00 177.43 175.45 1csv h ASN 63 N 0.69 0.25 0.22 5.81 -0.73 -1.81 -3.17 115.58 116.84 1csv h ASN 63 Ca 0.09 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.74 1csv h ASN 63 Cb 0.79 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1csv h ASN 63 CO 0.07 0.72 0.00 -0.03 -0.37 0.00 0.00 177.43 177.81 1csv h MET 64 N -0.21 0.00 0.21 6.67 4.05 -1.48 -2.33 114.93 121.84 1csv h MET 64 Ca 0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.14 1csv h MET 64 Cb 0.66 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.48 1csv h MET 64 CO 0.03 0.00 -1.34 1.03 0.23 0.00 0.00 176.91 176.86 1csv h SER 65 N 0.00 0.68 -0.01 1.39 0.87 -1.52 -1.87 113.55 113.09 1csv h SER 65 Ca 0.00 -0.93 -0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1csv h SER 65 Cb 0.11 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1csv h SER 65 CO 0.00 1.63 0.00 -0.08 -0.53 0.00 0.00 176.83 177.86 1csv h GLU 66 N -0.04 0.01 -0.39 2.24 4.81 -1.42 -2.93 114.58 116.86 1csv h GLU 66 Ca -0.24 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1csv h GLU 66 Cb 1.99 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.31 1csv h GLU 66 CO 0.21 0.18 0.05 -0.92 -0.73 0.00 0.00 179.01 177.81 1csv h TYR 67 N -0.17 0.08 0.00 0.92 3.20 -1.55 -2.01 116.97 117.45 1csv h TYR 67 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1csv h TYR 67 Cb 0.18 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1csv h TYR 67 CO -0.02 -0.01 0.00 -0.07 -1.64 0.00 0.00 178.16 176.42 1csv h LEU 68 N 0.17 0.00 0.07 2.82 3.38 -1.24 -0.05 115.31 120.47 1csv h LEU 68 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1csv h LEU 68 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 1csv h LEU 68 CO -0.27 0.00 -0.66 0.74 0.09 0.00 0.00 178.44 178.34 1csv h THR 69 N 0.00 1.50 -0.96 0.22 2.02 -1.18 0.51 112.91 115.02 1csv h THR 69 Ca 0.00 -2.32 -0.05 0.00 0.77 0.00 0.00 66.41 64.80 1csv h THR 69 Cb 0.13 2.96 -0.19 0.00 -1.74 0.00 0.00 68.15 69.32 1csv h THR 69 CO 0.00 0.66 -0.43 0.21 0.37 0.00 0.00 175.52 176.32 1csv s ASN 70 N -6.81 -1.48 0.00 4.18 3.84 -0.72 -3.78 114.94 110.17 1csv s ASN 70 Ca -0.14 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 52.15 1csv s ASN 70 Cb 0.02 1.89 0.00 0.00 -0.55 0.00 0.00 41.25 42.61 1csv s ASN 70 CO 0.82 -0.16 0.00 -2.65 -2.79 0.00 0.00 177.10 172.32 1csv n PRO 71 N 4.33 0.00 0.00 0.43 -0.02 -0.11 0.51 135.00 140.14 1csv n PRO 71 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1csv n PRO 71 Cb 0.57 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1csv n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1csv n LYS 73 N 0.59 0.00 0.01 -0.52 3.00 -1.26 0.88 118.16 120.86 1csv n LYS 73 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1csv n LYS 73 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 1csv n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1csv h TYR 74 N 0.00 0.70 -2.47 5.64 3.20 -0.28 -3.38 116.97 120.38 1csv h TYR 74 Ca 0.00 -0.25 -0.58 0.00 3.14 0.00 0.00 58.73 61.03 1csv h TYR 74 Cb 0.00 -0.13 -0.38 0.00 1.54 0.00 0.00 36.73 37.76 1csv h TYR 74 CO 0.00 0.99 -0.91 0.42 -1.64 0.00 0.00 178.16 177.02 1csv s ILE 75 N -3.97 0.22 0.20 1.81 1.01 0.25 -5.06 121.20 115.67 1csv s ILE 75 Ca -0.07 -2.15 -0.31 0.00 0.00 0.00 0.00 60.65 58.12 1csv s ILE 75 Cb 0.11 -1.17 -0.11 0.00 0.01 0.00 0.00 42.46 41.30 1csv s ILE 75 CO 0.84 -1.10 1.60 -2.84 0.00 0.00 0.00 174.94 173.44 1csv s PRO 76 N 0.60 4.19 0.00 2.79 0.02 -1.26 -2.28 135.00 139.05 1csv s PRO 76 Ca 0.25 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1csv s PRO 76 Cb -0.10 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1csv s PRO 76 CO -0.09 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1csv n GLY 77 N 3.50 1.07 3.77 0.52 0.00 -1.26 -4.73 105.19 108.06 1csv n GLY 77 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1csv n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1csv s THR 78 N -2.27 2.50 -2.35 2.61 -1.32 -0.97 -4.67 115.64 109.18 1csv s THR 78 Ca 0.00 0.49 0.22 0.00 -1.21 0.00 0.00 61.69 61.20 1csv s THR 78 Cb 0.00 -3.31 0.47 0.00 -1.51 0.00 0.00 72.50 68.15 1csv s THR 78 CO 0.00 0.11 1.57 2.29 -2.21 0.00 0.00 174.62 176.38 1csv n LYS 79 N 0.55 1.78 -1.76 7.08 2.85 -1.26 -4.88 118.16 122.51 1csv n LYS 79 Ca 0.01 -1.16 -0.42 0.00 -1.05 0.00 0.00 58.31 55.69 1csv n LYS 79 Cb 0.41 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 33.34 1csv n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1csv s MET 80 N -1.82 4.15 -1.11 -1.58 1.75 -1.26 -4.88 119.30 114.56 1csv s MET 80 Ca 0.34 2.51 -0.03 0.00 -1.25 0.00 0.00 55.69 57.26 1csv s MET 80 Cb 0.19 -4.03 0.27 0.00 2.84 0.00 0.00 34.83 34.10 1csv s MET 80 CO 0.28 -0.91 1.92 0.00 -0.65 0.00 0.00 175.02 175.66 1csv n ALA 81 N 7.13 6.13 -3.67 4.11 0.00 -1.26 -4.93 120.51 128.03 1csv n ALA 81 Ca 0.19 -4.50 -0.23 0.00 0.00 0.00 0.00 53.44 48.89 1csv n ALA 81 Cb 0.41 -2.36 -0.17 0.00 0.00 0.00 0.00 19.45 17.33 1csv n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1csv s PHE 82 N -3.33 1.06 -0.91 0.00 5.36 -1.26 -5.01 117.98 113.89 1csv s PHE 82 Ca 0.42 -0.39 0.22 0.00 -0.96 0.00 0.00 56.93 56.21 1csv s PHE 82 Cb 0.17 -0.91 0.89 0.00 -0.34 0.00 0.00 43.02 42.84 1csv s PHE 82 CO -0.09 -0.30 1.68 0.41 -1.46 0.00 0.00 175.22 175.45 1csv n GLY 83 N 4.36 -1.27 0.00 13.12 0.00 -1.26 -4.55 105.19 115.60 1csv n GLY 83 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1csv n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1csv n GLY 84 N 0.62 0.60 3.23 -0.02 0.00 -1.26 -4.71 105.19 103.65 1csv n GLY 84 Ca 0.05 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1csv n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1csv s PHE 85 N -2.42 3.39 -0.30 1.61 0.08 0.18 -4.96 117.98 115.56 1csv s PHE 85 Ca 0.00 -1.75 0.21 0.00 0.12 0.00 0.00 56.93 55.51 1csv s PHE 85 Cb 0.00 -3.16 0.16 0.00 -0.57 0.00 0.00 43.02 39.45 1csv s PHE 85 CO 0.00 -0.91 1.36 0.87 -0.10 0.00 0.00 175.22 176.44 1csv h LYS 86 N 8.38 0.00 -5.39 0.44 1.79 -1.84 -3.35 116.57 116.60 1csv h LYS 86 Ca -0.21 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.64 1csv h LYS 86 Cb 1.08 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.60 1csv h LYS 86 CO 0.78 0.12 0.03 0.15 -1.08 0.00 0.00 179.45 179.45 1csv s LYS 87 N -3.18 4.04 0.51 3.15 1.02 -1.26 -4.95 119.74 119.08 1csv s LYS 87 Ca 0.04 0.34 0.19 0.00 0.02 0.00 0.00 55.97 56.55 1csv s LYS 87 Cb 0.07 -3.67 1.28 0.00 -0.52 0.00 0.00 37.83 34.99 1csv s LYS 87 CO 0.73 -0.40 2.07 1.49 -0.92 0.00 0.00 175.35 178.32 1csv h GLU 88 N 8.03 0.07 -0.13 1.68 4.81 -2.00 -0.68 114.58 126.36 1csv h GLU 88 Ca -0.28 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1csv h GLU 88 Cb 1.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1csv h GLU 88 CO 0.74 0.04 -0.39 1.57 -0.73 0.00 0.00 179.01 180.24 1csv h LYS 89 N 0.07 0.27 0.07 1.92 2.10 -1.98 0.13 116.57 119.16 1csv h LYS 89 Ca 0.13 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1csv h LYS 89 Cb 0.45 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1csv h LYS 89 CO -0.01 0.63 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.59 1csv h ASP 90 N 0.23 -0.08 -0.60 7.07 3.32 -1.55 -0.43 116.42 124.39 1csv h ASP 90 Ca 0.02 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1csv h ASP 90 Cb 0.80 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1csv h ASP 90 CO 0.06 0.20 0.29 0.03 -1.72 0.00 0.00 179.24 178.10 1csv h ARG 91 N -0.37 0.86 0.29 3.56 3.08 -1.24 0.30 114.38 120.86 1csv h ARG 91 Ca -0.01 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1csv h ARG 91 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1csv h ARG 91 CO 0.02 0.69 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.40 1csv h ASN 92 N 0.81 -0.81 -0.13 7.04 2.35 -0.60 0.19 115.58 124.43 1csv h ASN 92 Ca 0.20 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1csv h ASN 92 Cb 0.12 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1csv h ASN 92 CO -0.03 -0.43 -0.03 0.44 -1.65 0.00 0.00 177.43 175.74 1csv h ASP 93 N -0.63 -0.11 -0.14 5.81 3.32 -0.91 -0.47 116.42 123.29 1csv h ASP 93 Ca -0.01 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1csv h ASP 93 Cb 0.58 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1csv h ASP 93 CO -0.06 -0.04 -0.20 0.25 -1.72 0.00 0.00 179.24 177.47 1csv h LEU 94 N 0.01 0.56 -1.45 1.55 5.85 -0.08 -2.19 115.31 119.56 1csv h LEU 94 Ca 0.06 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1csv h LEU 94 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1csv h LEU 94 CO -0.13 0.77 -0.28 0.40 -0.34 0.00 0.00 178.44 178.86 1csv h ILE 95 N 0.50 1.14 -0.24 4.05 2.04 -0.13 0.20 117.51 125.07 1csv h ILE 95 Ca 0.08 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1csv h ILE 95 Cb 0.63 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1csv h ILE 95 CO 0.04 0.27 0.07 0.74 0.00 0.00 0.00 178.15 179.28 1csv h THR 96 N 0.00 1.19 0.04 -0.27 2.02 -0.70 0.17 112.91 115.37 1csv h THR 96 Ca -0.00 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1csv h THR 96 Cb 0.51 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1csv h THR 96 CO 0.04 0.20 -0.02 0.22 0.37 0.00 0.00 175.52 176.32 1csv h TYR 97 N 0.22 -0.05 -0.39 3.16 3.20 -0.65 -2.62 116.97 119.83 1csv h TYR 97 Ca 0.08 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1csv h TYR 97 Cb 0.24 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1csv h TYR 97 CO 0.00 0.08 0.19 -0.07 -1.64 0.00 0.00 178.16 176.72 1csv h LEU 98 N -0.17 0.27 -1.20 2.82 3.38 -0.42 0.30 115.31 120.29 1csv h LEU 98 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1csv h LEU 98 Cb 0.15 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1csv h LEU 98 CO 0.01 0.20 0.58 0.11 0.09 0.00 0.00 178.44 179.43 1csv h LYS 99 N 0.39 0.85 0.15 1.13 1.79 -0.64 0.15 116.57 120.39 1csv h LYS 99 Ca 0.17 -0.05 -0.26 0.00 -2.18 0.00 0.00 60.65 58.33 1csv h LYS 99 Cb 0.08 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1csv h LYS 99 CO -0.12 0.56 -1.24 0.87 -1.08 0.00 0.00 179.45 178.44 1csv h LYS 100 N 0.88 0.32 -0.15 3.15 1.79 -1.00 -3.36 116.57 118.20 1csv h LYS 100 Ca 0.42 -0.55 -0.17 0.00 -2.18 0.00 0.00 60.65 58.17 1csv h LYS 100 Cb 0.42 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1csv h LYS 100 CO -0.18 1.26 -0.61 0.00 -1.08 0.00 0.00 179.45 178.84 1csv h ALA 101 N 0.04 0.66 -0.13 3.86 0.00 -0.03 -3.29 119.26 120.37 1csv h ALA 101 Ca -0.24 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1csv h ALA 101 Cb 1.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1csv h ALA 101 CO 0.14 0.71 0.00 0.25 0.00 0.00 0.00 179.25 180.34 1csv n THR 102 N -3.92 0.17 1.28 0.00 -2.24 0.48 -4.68 114.28 105.36 1csv n THR 102 Ca -0.04 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1csv n THR 102 Cb 0.64 0.16 0.34 0.00 -2.10 0.00 0.00 70.33 69.37 1csv n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88