#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chi n GLU -4 N 0.00 0.00 -3.77 -0.78 2.13 -1.26 -5.08 120.64 111.87 1chi n GLU -4 Ca 0.00 -1.11 -0.13 0.00 0.66 0.00 0.00 57.16 56.58 1chi n GLU -4 Cb 0.00 0.41 -0.11 0.00 0.27 0.00 0.00 31.44 32.01 1chi n GLU -4 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1chi s PHE -3 N 0.00 -0.29 0.07 4.31 2.19 -1.26 -5.03 117.98 117.97 1chi s PHE -3 Ca 0.05 0.69 0.05 0.00 0.33 0.00 0.00 56.93 58.05 1chi s PHE -3 Cb 0.06 0.10 -0.03 0.00 -1.31 0.00 0.00 43.02 41.84 1chi s PHE -3 CO -0.02 -0.19 -0.14 -1.59 1.83 0.00 0.00 175.22 175.10 1chi s LYS -2 N -0.09 0.82 0.33 10.12 -2.85 -1.26 -5.08 119.74 121.73 1chi s LYS -2 Ca -0.02 -0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 53.72 1chi s LYS -2 Cb -0.03 -0.82 -0.10 0.00 -2.06 0.00 0.00 37.83 34.82 1chi s LYS -2 CO 0.01 0.18 1.24 0.00 0.10 0.00 0.00 175.35 176.88 1chi s ALA -1 N -1.26 3.42 0.00 0.59 0.00 -1.26 -4.70 121.76 118.55 1chi s ALA -1 Ca -0.02 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1chi s ALA -1 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1chi s ALA -1 CO 0.02 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1chi n GLY 1 N 0.88 7.13 3.64 0.00 0.00 -1.26 -4.96 105.19 110.62 1chi n GLY 1 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1chi n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1chi s SER 2 N 1.00 6.91 0.41 1.61 0.15 -1.26 -4.89 113.70 117.63 1chi s SER 2 Ca 0.00 1.10 0.22 0.00 0.70 0.00 0.00 55.95 57.97 1chi s SER 2 Cb 0.00 -2.48 0.79 0.00 -1.71 0.00 0.00 66.02 62.62 1chi s SER 2 CO 0.00 -0.62 1.77 0.00 1.20 0.00 0.00 173.24 175.59 1chi h ALA 3 N 7.70 0.99 -0.21 5.45 0.00 -1.89 -0.98 119.26 130.33 1chi h ALA 3 Ca -0.22 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1chi h ALA 3 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1chi h ALA 3 CO 0.93 0.34 -0.01 0.87 0.00 0.00 0.00 179.25 181.38 1chi h LYS 4 N 0.00 0.38 -0.24 0.00 1.57 -1.92 -0.43 116.57 115.93 1chi h LYS 4 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1chi h LYS 4 Cb 0.84 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1chi h LYS 4 CO 0.04 0.58 0.13 -0.22 -0.57 0.00 0.00 179.45 179.41 1chi h LYS 5 N 0.13 0.34 -0.78 3.15 1.63 -1.91 -2.35 116.57 116.77 1chi h LYS 5 Ca 0.06 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1chi h LYS 5 Cb 0.42 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1chi h LYS 5 CO 0.01 0.31 0.49 0.78 -3.45 0.00 0.00 179.45 177.60 1chi h GLY 6 N 0.27 1.14 1.94 5.01 0.00 -1.17 -0.77 103.07 109.50 1chi h GLY 6 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1chi h GLY 6 CO -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 176.54 176.79 1chi h ALA 7 N 1.34 1.86 0.00 3.60 0.00 -0.54 -1.06 119.26 124.46 1chi h ALA 7 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1chi h ALA 7 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1chi h ALA 7 CO -0.13 0.11 -0.81 1.79 0.00 0.00 0.00 179.25 180.20 1chi h THR 8 N 0.07 0.00 -0.25 0.00 1.35 -1.04 -3.03 112.91 110.02 1chi h THR 8 Ca 0.02 -0.84 -0.19 0.00 -0.55 0.00 0.00 66.41 64.85 1chi h THR 8 Cb 0.10 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1chi h THR 8 CO 0.00 0.00 -0.60 -0.07 -0.25 0.00 0.00 175.52 174.61 1chi h LEU 9 N 0.00 0.91 0.74 3.87 4.07 0.05 -2.45 115.31 122.50 1chi h LEU 9 Ca 0.00 -0.51 -0.04 0.00 0.08 0.00 0.00 57.88 57.41 1chi h LEU 9 Cb 0.92 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.40 1chi h LEU 9 CO 0.00 1.30 -0.35 0.15 -1.08 0.00 0.00 178.44 178.45 1chi h PHE 10 N 0.61 -0.92 -0.39 1.13 3.04 -1.38 0.66 116.94 119.69 1chi h PHE 10 Ca 0.00 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.01 1chi h PHE 10 Cb 1.20 0.30 -0.09 0.00 2.56 0.00 0.00 35.95 39.93 1chi h PHE 10 CO 0.07 -0.55 -0.26 0.87 -2.02 0.00 0.00 178.31 176.42 1chi h LYS 11 N -1.17 -0.19 0.00 1.11 1.57 -1.58 1.31 116.57 117.62 1chi h LYS 11 Ca -0.10 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1chi h LYS 11 Cb 0.78 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1chi h LYS 11 CO 0.17 -0.13 -0.21 1.79 -0.57 0.00 0.00 179.45 180.50 1chi h THR 12 N -0.20 1.03 0.00 -0.16 1.35 -1.24 -3.32 112.91 110.37 1chi h THR 12 Ca 0.18 -0.75 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 1chi h THR 12 Cb 0.49 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1chi h THR 12 CO -0.50 0.21 -1.18 0.54 -0.25 0.00 0.00 175.52 174.33 1chi n ARG 13 N -4.12 2.89 -0.07 4.72 1.74 0.23 -4.91 116.66 117.14 1chi n ARG 13 Ca -0.02 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1chi n ARG 13 Cb 0.28 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 1chi n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1chi h LEU 15 N -0.12 0.11 -1.95 0.00 5.85 -1.34 0.44 115.31 118.29 1chi h LEU 15 Ca -0.32 0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.79 1chi h LEU 15 Cb 1.43 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 1chi h LEU 15 CO -0.09 -0.40 0.47 -0.61 -0.34 0.00 0.00 178.44 177.47 1chi h GLN 16 N 0.02 0.00 0.00 1.25 4.15 -1.84 -1.98 115.11 116.71 1chi h GLN 16 Ca 0.77 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.19 1chi h GLN 16 Cb 1.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.61 1chi h GLN 16 CO -0.80 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.10 1chi s HIS 18 N -0.17 0.13 0.05 0.00 3.76 -0.23 0.43 115.29 119.26 1chi s HIS 18 Ca 0.00 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.51 1chi s HIS 18 Cb 0.00 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 1chi s HIS 18 CO 0.00 -0.50 -0.25 0.95 -0.85 0.00 0.00 174.74 174.09 1chi s THR 19 N -3.41 2.03 -0.32 1.30 -4.23 -1.26 -4.41 115.64 105.34 1chi s THR 19 Ca 0.02 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 1chi s THR 19 Cb 0.03 -1.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.02 1chi s THR 19 CO -0.09 0.29 0.33 1.33 -0.54 0.00 0.00 174.62 175.94 1chi n VAL 20 N 1.69 0.00 -2.42 2.29 0.24 -1.26 -0.48 118.33 118.39 1chi n VAL 20 Ca -0.17 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.45 1chi n VAL 20 Cb 0.52 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.70 1chi n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1chi s GLU 21 N -1.98 4.49 -0.15 7.34 1.03 -1.26 -3.42 118.70 124.75 1chi s GLU 21 Ca 0.02 1.82 -0.29 0.00 0.03 0.00 0.00 54.97 56.55 1chi s GLU 21 Cb 0.06 -3.05 -0.03 0.00 -0.80 0.00 0.00 34.13 30.31 1chi s GLU 21 CO 0.35 0.07 1.55 0.21 -1.33 0.00 0.00 175.26 176.12 1chi s LYS 22 N -1.69 4.04 0.00 -4.83 2.47 -1.26 -0.32 119.74 118.15 1chi s LYS 22 Ca 0.48 1.86 0.00 0.00 -1.56 0.00 0.00 55.97 56.75 1chi s LYS 22 Cb -0.32 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 1chi s LYS 22 CO 0.41 -0.99 0.00 0.41 0.16 0.00 0.00 175.35 175.33 1chi n GLY 23 N 4.22 0.89 3.84 5.54 0.00 -1.26 -5.07 105.19 113.35 1chi n GLY 23 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1chi n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1chi s GLY 24 N -1.87 2.33 0.41 -0.02 0.00 0.57 -5.05 107.32 103.69 1chi s GLY 24 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 1chi s GLY 24 CO 0.00 0.42 0.85 2.56 0.00 0.00 0.00 173.10 176.93 1chi s PRO 25 N -3.15 4.01 0.85 2.90 0.04 -1.26 -4.79 135.00 133.60 1chi s PRO 25 Ca 0.57 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1chi s PRO 25 Cb -0.10 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.25 1chi s PRO 25 CO 0.17 -0.02 1.09 -1.01 0.04 0.00 0.00 177.00 177.27 1chi s HIS 26 N -2.25 2.33 0.00 0.56 3.76 -1.26 -4.32 115.29 114.11 1chi s HIS 26 Ca 0.57 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.92 1chi s HIS 26 Cb -0.10 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1chi s HIS 26 CO 0.22 -2.22 0.00 1.63 -0.85 0.00 0.00 174.74 173.52 1chi n LYS 27 N -3.79 0.00 -0.18 1.40 5.02 -1.26 -4.88 118.16 114.46 1chi n LYS 27 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.32 1chi n LYS 27 Cb 0.54 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.59 1chi n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1chi h VAL 28 N 0.00 1.07 -1.77 -0.18 2.07 -1.86 -3.41 116.25 112.17 1chi h VAL 28 Ca 0.00 -0.22 -0.47 0.00 0.82 0.00 0.00 66.70 66.82 1chi h VAL 28 Cb 0.00 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1chi h VAL 28 CO 0.00 0.12 -0.39 -0.83 0.02 0.00 0.00 177.57 176.49 1chi s GLY 29 N -2.76 1.76 0.64 2.17 0.00 0.17 -5.07 107.32 104.23 1chi s GLY 29 Ca -0.13 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.83 1chi s GLY 29 CO 0.74 -1.52 1.07 2.56 0.00 0.00 0.00 173.10 175.96 1chi s PRO 30 N -4.09 3.08 0.64 2.90 0.04 -1.26 -4.68 135.00 131.63 1chi s PRO 30 Ca 0.44 1.20 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 1chi s PRO 30 Cb -0.07 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1chi s PRO 30 CO 0.29 -1.01 1.12 1.21 0.04 0.00 0.00 177.00 178.65 1chi s ASN 31 N -2.94 5.16 0.00 6.66 3.84 -1.26 -4.36 114.94 122.04 1chi s ASN 31 Ca 0.63 2.06 0.14 0.00 0.21 0.00 0.00 52.86 55.91 1chi s ASN 31 Cb -0.17 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.26 1chi s ASN 31 CO 0.42 -1.60 1.18 0.18 -2.79 0.00 0.00 177.10 174.50 1chi n LEU 32 N -2.22 2.81 -4.64 3.21 4.77 0.37 -4.94 117.00 116.36 1chi n LEU 32 Ca 0.11 -1.60 -0.45 0.00 -0.03 0.00 0.00 56.01 54.03 1chi n LEU 32 Cb 0.52 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1chi n LEU 32 CO 0.47 0.64 0.88 1.57 -1.33 0.00 0.00 177.39 179.62 1chi n HIS 33 N 0.81 1.87 -2.21 -1.77 -0.00 -1.22 -1.77 115.22 110.93 1chi n HIS 33 Ca 0.12 0.54 -0.12 0.00 0.46 0.00 0.00 57.72 58.72 1chi n HIS 33 Cb 0.43 -2.39 -0.01 0.00 -0.12 0.00 0.00 29.99 27.91 1chi n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1chi n GLY 34 N 1.82 -0.10 0.24 1.57 0.00 0.26 -4.97 105.19 104.02 1chi n GLY 34 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 1chi n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1chi h ILE 35 N 0.00 1.27 -3.52 -0.61 6.09 -1.55 -3.40 117.51 115.79 1chi h ILE 35 Ca -0.28 -1.34 -0.52 0.00 -1.37 0.00 0.00 64.86 61.35 1chi h ILE 35 Cb 1.20 1.38 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1chi h ILE 35 CO 0.33 0.43 0.48 -0.36 -3.07 0.00 0.00 178.15 175.95 1chi s PHE 36 N -4.45 3.59 0.00 2.19 0.08 -1.25 -2.49 117.98 115.64 1chi s PHE 36 Ca -0.07 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1chi s PHE 36 Cb 0.13 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1chi s PHE 36 CO 0.80 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 1chi n GLY 37 N 2.19 2.91 3.91 4.36 0.00 0.21 -4.97 105.19 113.80 1chi n GLY 37 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1chi n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1chi s ARG 38 N -0.16 3.54 0.21 1.61 3.52 -1.04 -4.78 118.95 121.86 1chi s ARG 38 Ca 0.00 -0.26 -0.16 0.00 -0.13 0.00 0.00 55.73 55.18 1chi s ARG 38 Cb 0.00 -2.90 -0.08 0.00 -1.56 0.00 0.00 34.95 30.41 1chi s ARG 38 CO 0.00 0.49 0.65 -1.01 -0.81 0.00 0.00 175.30 174.62 1chi s HIS 39 N -1.67 3.56 0.27 5.12 3.76 -1.25 -1.28 115.29 123.80 1chi s HIS 39 Ca 0.39 1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 56.20 1chi s HIS 39 Cb -0.12 -2.48 -0.14 0.00 1.11 0.00 0.00 32.58 30.95 1chi s HIS 39 CO 0.27 0.32 1.20 -1.13 -0.85 0.00 0.00 174.74 174.55 1chi n SER 40 N 0.48 2.04 0.00 1.40 3.41 0.22 -3.47 113.62 117.70 1chi n SER 40 Ca -0.02 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1chi n SER 40 Cb 0.52 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1chi n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1chi n GLY 41 N 1.45 0.46 0.00 5.00 0.00 -1.26 -4.60 105.19 106.24 1chi n GLY 41 Ca 0.10 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.32 1chi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1chi n GLN 42 N -2.88 2.13 -1.72 1.61 1.13 -1.23 -4.94 117.38 111.49 1chi n GLN 42 Ca 0.00 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.60 1chi n GLN 42 Cb 0.00 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 1chi n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1chi n ALA 43 N -1.47 1.95 -2.49 -1.58 0.00 -1.26 -4.92 120.51 110.74 1chi n ALA 43 Ca 0.01 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.45 1chi n ALA 43 Cb 0.24 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 1chi n ALA 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1chi s GLU 44 N -0.65 4.17 0.00 0.00 -1.05 -1.26 -3.47 118.70 116.44 1chi s GLU 44 Ca 0.64 0.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.03 1chi s GLU 44 Cb -0.55 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 1chi s GLU 44 CO 0.51 0.49 0.00 0.41 0.95 0.00 0.00 175.26 177.62 1chi n GLY 45 N 2.26 0.67 3.63 -3.83 0.00 -1.26 -5.07 105.19 101.59 1chi n GLY 45 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1chi n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1chi s TYR 46 N -2.25 3.13 -0.74 1.61 5.04 -1.23 -5.06 117.35 117.86 1chi s TYR 46 Ca 0.00 0.07 -0.18 0.00 -2.44 0.00 0.00 57.07 54.52 1chi s TYR 46 Cb 0.00 -1.84 0.13 0.00 0.35 0.00 0.00 41.96 40.60 1chi s TYR 46 CO 0.00 0.33 0.86 0.45 -1.34 0.00 0.00 175.55 175.85 1chi s SER 47 N -0.52 6.41 0.43 4.32 0.15 -1.26 -4.95 113.70 118.29 1chi s SER 47 Ca 0.09 -1.79 0.02 0.00 0.70 0.00 0.00 55.95 54.97 1chi s SER 47 Cb -0.12 -2.32 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1chi s SER 47 CO 0.02 -1.04 0.64 -0.31 1.20 0.00 0.00 173.24 173.75 1chi s TYR 48 N 2.37 3.15 0.89 3.44 1.51 -1.26 -5.09 117.35 122.36 1chi s TYR 48 Ca 0.20 0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 56.22 1chi s TYR 48 Cb -0.16 -2.29 0.13 0.00 -0.11 0.00 0.00 41.96 39.53 1chi s TYR 48 CO -0.01 -0.34 1.12 0.95 -1.11 0.00 0.00 175.55 176.17 1chi s THR 49 N -2.49 2.28 0.37 -0.71 -4.23 -1.26 -4.91 115.64 104.69 1chi s THR 49 Ca 0.49 0.09 0.11 0.00 -1.18 0.00 0.00 61.69 61.20 1chi s THR 49 Cb -0.10 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.03 1chi s THR 49 CO 0.36 -0.12 1.83 0.44 -0.54 0.00 0.00 174.62 176.59 1chi h ASP 50 N -1.43 0.08 0.16 3.99 3.32 -1.98 -3.24 116.42 117.30 1chi h ASP 50 Ca -0.50 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1chi h ASP 50 Cb 1.32 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1chi h ASP 50 CO 0.61 0.40 -0.23 0.00 -1.72 0.00 0.00 179.24 178.30 1chi h ALA 51 N 1.60 -0.42 -0.48 3.45 0.00 -1.89 -2.35 119.26 119.18 1chi h ALA 51 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1chi h ALA 51 Cb 0.62 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1chi h ALA 51 CO 0.05 -0.77 0.19 -0.97 0.00 0.00 0.00 179.25 177.74 1chi h ASN 52 N -0.45 0.67 0.43 0.00 -0.73 -1.90 -2.96 115.58 110.64 1chi h ASN 52 Ca 0.02 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 1chi h ASN 52 Cb 0.45 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1chi h ASN 52 CO -0.10 0.66 -0.29 0.40 -0.37 0.00 0.00 177.43 177.73 1chi h ILE 53 N 0.64 0.40 0.00 2.57 2.04 -1.57 -3.18 117.51 118.41 1chi h ILE 53 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1chi h ILE 53 Cb 0.20 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1chi h ILE 53 CO -0.01 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 178.23 1chi h LYS 54 N -0.70 0.00 -0.11 2.37 1.79 -1.45 -2.16 116.57 116.32 1chi h LYS 54 Ca -0.04 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1chi h LYS 54 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1chi h LYS 54 CO 0.03 0.01 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.03 1chi h LYS 55 N 0.00 0.17 -6.69 3.15 3.11 -1.49 -3.46 116.57 111.35 1chi h LYS 55 Ca -0.00 -0.04 -0.54 0.00 -2.81 0.00 0.00 60.65 57.26 1chi h LYS 55 Cb 0.02 -0.02 -0.19 0.00 -1.00 0.00 0.00 32.23 31.05 1chi h LYS 55 CO 0.00 0.33 -0.82 -1.71 -2.81 0.00 0.00 179.45 174.44 1chi n ASN 56 N -4.27 -3.48 -4.78 4.20 4.05 -0.81 -4.85 115.26 105.32 1chi n ASN 56 Ca -0.01 -0.98 -0.41 0.00 0.45 0.00 0.00 54.58 53.63 1chi n ASN 56 Cb 0.27 -2.90 0.00 0.00 1.23 0.00 0.00 39.78 38.39 1chi n ASN 56 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1chi n VAL 57 N -4.42 2.19 -3.67 3.44 0.31 -1.26 -4.70 118.33 110.22 1chi n VAL 57 Ca 0.07 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.51 1chi n VAL 57 Cb 0.50 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 1chi n VAL 57 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1chi s LEU 58 N -2.24 4.28 -0.41 7.52 0.20 -1.26 0.70 118.68 127.46 1chi s LEU 58 Ca 0.55 -0.81 -0.29 0.00 0.69 0.00 0.00 54.13 54.27 1chi s LEU 58 Cb -0.47 -1.96 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 1chi s LEU 58 CO 0.62 -0.28 1.19 0.26 -0.29 0.00 0.00 176.35 177.85 1chi s TRP 59 N 1.54 2.81 0.19 5.38 0.52 -0.41 -4.87 118.94 124.10 1chi s TRP 59 Ca 0.02 0.83 0.07 0.00 0.02 0.00 0.00 56.10 57.05 1chi s TRP 59 Cb -0.18 -4.20 -0.04 0.00 -1.15 0.00 0.00 33.47 27.90 1chi s TRP 59 CO 0.05 -1.32 -0.15 0.16 0.02 0.00 0.00 176.95 175.71 1chi s ASP 60 N 2.55 2.47 0.35 2.95 1.47 -1.26 0.63 116.67 125.83 1chi s ASP 60 Ca 0.50 -0.98 0.16 0.00 1.18 0.00 0.00 52.55 53.41 1chi s ASP 60 Cb -0.10 -0.12 1.16 0.00 -0.34 0.00 0.00 42.92 43.51 1chi s ASP 60 CO 0.27 -0.16 1.61 1.05 0.68 0.00 0.00 175.17 178.62 1chi h GLU 61 N 2.76 0.12 -0.05 2.11 4.11 -1.97 0.16 114.58 121.82 1chi h GLU 61 Ca -0.39 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1chi h GLU 61 Cb 1.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1chi h GLU 61 CO 0.60 0.08 -0.10 -0.91 0.07 0.00 0.00 179.01 178.75 1chi h ASN 62 N 0.12 0.17 -0.54 3.06 2.35 -1.95 -2.94 115.58 115.85 1chi h ASN 62 Ca 0.77 -0.58 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1chi h ASN 62 Cb 1.87 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 40.15 1chi h ASN 62 CO -0.72 0.71 0.29 -1.13 -1.65 0.00 0.00 177.43 174.93 1chi h ASN 63 N -0.37 0.43 -0.61 5.81 -0.73 -1.49 -2.69 115.58 115.94 1chi h ASN 63 Ca 0.00 0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.21 1chi h ASN 63 Cb 0.69 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1chi h ASN 63 CO 0.02 0.29 0.40 -0.03 -0.37 0.00 0.00 177.43 177.75 1chi h MET 64 N 0.56 0.76 -0.18 6.67 4.05 -1.11 -1.20 114.93 124.46 1chi h MET 64 Ca 0.23 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1chi h MET 64 Cb 0.12 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1chi h MET 64 CO -0.15 0.50 -0.08 1.03 0.23 0.00 0.00 176.91 178.45 1chi h SER 65 N 0.78 0.39 -0.24 1.39 0.87 -1.29 -1.08 113.55 114.36 1chi h SER 65 Ca 0.23 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1chi h SER 65 Cb -0.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1chi h SER 65 CO -0.06 0.70 0.09 -0.33 -0.53 0.00 0.00 176.83 176.70 1chi h GLU 66 N 0.07 0.37 0.11 2.24 5.08 -1.47 -2.36 114.58 118.61 1chi h GLU 66 Ca 0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1chi h GLU 66 Cb 0.55 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1chi h GLU 66 CO 0.02 0.43 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.33 1chi h TYR 67 N 0.23 -0.56 0.00 4.33 3.20 -1.23 -1.22 116.97 121.72 1chi h TYR 67 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1chi h TYR 67 Cb 0.21 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1chi h TYR 67 CO -0.00 -0.31 0.14 -0.07 -1.64 0.00 0.00 178.16 176.28 1chi h LEU 68 N -0.40 0.00 -0.20 2.82 3.38 -1.03 0.12 115.31 120.00 1chi h LEU 68 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1chi h LEU 68 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1chi h LEU 68 CO -0.12 0.00 -0.59 0.74 0.09 0.00 0.00 178.44 178.56 1chi h THR 69 N 0.00 1.30 -0.72 0.22 2.02 -0.67 0.33 112.91 115.38 1chi h THR 69 Ca 0.00 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 1chi h THR 69 Cb 0.28 1.86 -0.18 0.00 -1.74 0.00 0.00 68.15 68.38 1chi h THR 69 CO 0.00 0.57 -0.33 0.21 0.37 0.00 0.00 175.52 176.34 1chi s ASN 70 N -6.91 -1.09 0.00 4.18 3.84 -0.72 -3.78 114.94 110.46 1chi s ASN 70 Ca -0.11 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.29 1chi s ASN 70 Cb 0.08 1.40 0.00 0.00 -0.55 0.00 0.00 41.25 42.19 1chi s ASN 70 CO 0.88 -0.11 0.00 -2.65 -2.79 0.00 0.00 177.10 172.43 1chi n PRO 71 N 3.95 0.00 0.00 0.43 -0.02 0.35 -1.98 135.00 137.73 1chi n PRO 71 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1chi n PRO 71 Cb 0.59 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1chi n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1chi n LYS 73 N 0.52 0.00 -0.32 -0.52 3.00 -1.26 0.22 118.16 119.80 1chi n LYS 73 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1chi n LYS 73 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 1chi n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1chi h TYR 74 N 0.00 1.14 -2.28 5.64 3.20 -1.75 -3.32 116.97 119.61 1chi h TYR 74 Ca 0.00 0.03 -0.58 0.00 3.14 0.00 0.00 58.73 61.32 1chi h TYR 74 Cb 0.00 -0.39 -0.39 0.00 1.54 0.00 0.00 36.73 37.50 1chi h TYR 74 CO 0.00 0.70 -0.99 -0.89 -1.64 0.00 0.00 178.16 175.34 1chi n ILE 75 N -4.41 -0.78 -1.99 1.81 5.41 0.13 -5.10 119.36 114.43 1chi n ILE 75 Ca 0.11 -3.75 -0.41 0.00 1.00 0.00 0.00 62.75 59.70 1chi n ILE 75 Cb 0.04 -1.80 -0.02 0.00 -0.71 0.00 0.00 39.64 37.16 1chi n ILE 75 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1chi s PRO 76 N -0.51 4.25 0.00 0.38 0.04 -1.25 -1.74 135.00 136.16 1chi s PRO 76 Ca 0.33 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1chi s PRO 76 Cb 0.08 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1chi s PRO 76 CO -0.16 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1chi n GLY 77 N 2.33 0.31 3.77 0.56 0.00 -1.26 -4.86 105.19 106.04 1chi n GLY 77 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1chi n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1chi s THR 78 N -2.04 2.98 -2.15 2.61 -1.32 -0.71 -4.68 115.64 110.33 1chi s THR 78 Ca 0.00 0.75 0.21 0.00 -1.21 0.00 0.00 61.69 61.44 1chi s THR 78 Cb 0.00 -3.39 0.52 0.00 -1.51 0.00 0.00 72.50 68.12 1chi s THR 78 CO 0.00 0.00 1.46 2.29 -2.21 0.00 0.00 174.62 176.16 1chi n LYS 79 N -0.48 2.42 -2.47 7.08 2.85 -1.26 -4.87 118.16 121.43 1chi n LYS 79 Ca 0.07 -2.18 -0.43 0.00 -1.05 0.00 0.00 58.31 54.72 1chi n LYS 79 Cb 0.47 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.34 1chi n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1chi s MET 80 N -1.30 4.16 -1.11 -1.58 1.75 -1.26 -4.87 119.30 115.09 1chi s MET 80 Ca 0.41 1.50 -0.04 0.00 -1.25 0.00 0.00 55.69 56.30 1chi s MET 80 Cb 0.22 -3.77 0.15 0.00 2.84 0.00 0.00 34.83 34.27 1chi s MET 80 CO 0.29 -0.80 2.36 0.00 -0.65 0.00 0.00 175.02 176.22 1chi n ALA 81 N 6.80 6.63 -2.87 4.11 0.00 -1.26 -4.93 120.51 128.99 1chi n ALA 81 Ca 0.14 -3.99 -0.31 0.00 0.00 0.00 0.00 53.44 49.29 1chi n ALA 81 Cb 0.45 -2.54 -0.17 0.00 0.00 0.00 0.00 19.45 17.20 1chi n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1chi s TYR 82 N -1.86 2.33 0.17 0.00 5.04 -1.26 -5.03 117.35 116.74 1chi s TYR 82 Ca 0.53 -0.75 -0.13 0.00 -2.44 0.00 0.00 57.07 54.28 1chi s TYR 82 Cb 0.23 -1.54 0.07 0.00 0.35 0.00 0.00 41.96 41.06 1chi s TYR 82 CO -0.13 -0.25 1.77 0.78 -1.34 0.00 0.00 175.55 176.38 1chi h GLY 83 N 6.23 0.84 0.00 8.97 0.00 -1.96 -3.42 103.07 113.73 1chi h GLY 83 Ca -0.29 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1chi h GLY 83 CO 0.47 0.38 0.00 0.61 0.00 0.00 0.00 176.54 178.00 1chi n GLY 84 N -0.99 3.84 3.16 4.60 0.00 -1.26 -4.51 105.19 110.02 1chi n GLY 84 Ca 0.03 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1chi n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chi s ALA 85 N -2.27 3.91 0.35 4.61 0.00 0.12 -4.94 121.76 123.55 1chi s ALA 85 Ca 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 51.96 48.53 1chi s ALA 85 Cb 0.00 -2.93 0.65 0.00 0.00 0.00 0.00 23.12 20.84 1chi s ALA 85 CO 0.00 -2.16 1.99 0.87 0.00 0.00 0.00 175.76 176.45 1chi h LYS 86 N 6.90 0.83 -5.87 0.00 1.79 -1.83 -3.38 116.57 115.01 1chi h LYS 86 Ca 0.06 -0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 57.88 1chi h LYS 86 Cb 0.93 -0.19 -0.11 0.00 -1.58 0.00 0.00 32.23 31.29 1chi h LYS 86 CO 0.77 0.55 0.44 0.15 -1.08 0.00 0.00 179.45 180.27 1chi s LYS 87 N -5.73 3.76 0.24 3.15 3.01 -1.26 -4.98 119.74 117.92 1chi s LYS 87 Ca -0.10 0.37 -0.07 0.00 -1.01 0.00 0.00 55.97 55.15 1chi s LYS 87 Cb 0.18 -3.81 0.41 0.00 -1.01 0.00 0.00 37.83 33.60 1chi s LYS 87 CO 0.77 -0.89 1.67 1.49 0.51 0.00 0.00 175.35 178.90 1chi h GLU 88 N 8.50 0.19 -0.63 1.68 4.81 -2.00 0.30 114.58 127.44 1chi h GLU 88 Ca -0.24 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1chi h GLU 88 Cb 1.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1chi h GLU 88 CO 0.93 0.13 0.19 1.57 -0.73 0.00 0.00 179.01 181.10 1chi h LYS 89 N 0.20 0.95 0.39 1.92 2.10 -1.97 -0.33 116.57 119.83 1chi h LYS 89 Ca 0.39 -0.19 -0.02 0.00 -2.00 0.00 0.00 60.65 58.83 1chi h LYS 89 Cb 0.66 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1chi h LYS 89 CO -0.54 0.82 -0.21 -0.44 -2.00 0.00 0.00 179.45 177.08 1chi h ASP 90 N 0.92 -0.50 -0.32 7.07 3.32 -1.38 -2.35 116.42 123.18 1chi h ASP 90 Ca 0.21 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.31 1chi h ASP 90 Cb 0.27 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1chi h ASP 90 CO -0.01 -0.34 0.13 0.03 -1.72 0.00 0.00 179.24 177.33 1chi h ARG 91 N -0.55 0.27 -0.24 3.56 3.08 -1.00 -0.59 114.38 118.90 1chi h ARG 91 Ca -0.05 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1chi h ARG 91 Cb 0.44 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1chi h ARG 91 CO 0.07 0.18 -0.29 -0.91 -1.07 0.00 0.00 179.97 177.94 1chi h ASN 92 N 0.28 -0.94 -0.18 7.04 2.35 -1.04 0.39 115.58 123.49 1chi h ASN 92 Ca 0.14 0.15 0.05 0.00 -0.55 0.00 0.00 56.30 56.10 1chi h ASN 92 Cb 0.09 0.42 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 1chi h ASN 92 CO -0.13 -0.32 -0.31 0.44 -1.65 0.00 0.00 177.43 175.46 1chi h ASP 93 N -0.31 -0.97 -0.24 5.81 3.32 -1.12 0.65 116.42 123.57 1chi h ASP 93 Ca 0.13 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.37 1chi h ASP 93 Cb 0.51 0.42 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 1chi h ASP 93 CO -0.41 -0.34 0.00 0.25 -1.72 0.00 0.00 179.24 177.02 1chi h LEU 94 N -0.36 -0.09 -1.10 1.55 6.46 0.35 0.37 115.31 122.50 1chi h LEU 94 Ca 0.11 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.83 1chi h LEU 94 Cb 0.53 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1chi h LEU 94 CO -0.38 -0.02 -0.43 0.40 -0.62 0.00 0.00 178.44 177.40 1chi h ILE 95 N 0.08 1.20 -0.18 4.05 2.04 0.14 0.31 117.51 125.15 1chi h ILE 95 Ca 0.11 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1chi h ILE 95 Cb 0.14 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1chi h ILE 95 CO -0.19 0.42 0.09 0.74 0.00 0.00 0.00 178.15 179.21 1chi h THR 96 N 0.00 1.12 0.38 -0.27 2.02 0.14 1.09 112.91 117.38 1chi h THR 96 Ca -0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1chi h THR 96 Cb 0.81 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1chi h THR 96 CO 0.06 0.11 -0.34 0.22 0.37 0.00 0.00 175.52 175.94 1chi h TYR 97 N 0.17 -0.92 0.32 3.16 3.20 0.79 -2.37 116.97 121.32 1chi h TYR 97 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1chi h TYR 97 Cb 0.10 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1chi h TYR 97 CO -0.03 -0.49 -0.21 -0.07 -1.64 0.00 0.00 178.16 175.72 1chi h LEU 98 N -0.73 -0.54 -0.63 2.82 3.38 -0.19 -1.06 115.31 118.36 1chi h LEU 98 Ca -0.03 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1chi h LEU 98 Cb 0.65 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1chi h LEU 98 CO -0.04 -0.33 -0.29 1.17 0.09 0.00 0.00 178.44 179.04 1chi n LYS 99 N -5.34 -0.19 -0.01 1.13 4.81 0.37 -1.45 118.16 117.48 1chi n LYS 99 Ca -0.10 0.96 -0.17 0.00 -0.87 0.00 0.00 58.31 58.13 1chi n LYS 99 Cb 0.25 -1.42 -0.09 0.00 0.02 0.00 0.00 35.03 33.79 1chi n LYS 99 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1chi h LYS 100 N 0.00 0.60 -0.00 1.64 1.79 -1.11 -3.38 116.57 116.10 1chi h LYS 100 Ca 0.18 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1chi h LYS 100 Cb 0.33 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1chi h LYS 100 CO -0.61 1.15 -0.64 0.00 -1.08 0.00 0.00 179.45 178.26 1chi n ALA 101 N -2.58 3.92 1.45 3.86 0.00 -0.43 -3.90 120.51 122.82 1chi n ALA 101 Ca -0.09 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 52.98 1chi n ALA 101 Cb 0.68 -0.94 0.48 0.00 0.00 0.00 0.00 19.45 19.67 1chi n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1chi n THR 102 N -1.15 0.11 1.57 0.00 -2.24 -0.52 -4.58 114.28 107.48 1chi n THR 102 Ca 0.07 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1chi n THR 102 Cb 0.36 0.27 0.59 0.00 -2.10 0.00 0.00 70.33 69.45 1chi n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88