#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cie n GLU -4 N 0.00 0.00 -4.83 1.09 1.02 -1.26 -5.03 120.64 111.64 1cie n GLU -4 Ca 0.00 -0.46 -0.33 0.00 -0.02 0.00 0.00 57.16 56.35 1cie n GLU -4 Cb 0.00 -0.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 1cie n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1cie s PHE -3 N 0.00 2.77 -0.06 -0.32 5.36 -1.26 -5.09 117.98 119.38 1cie s PHE -3 Ca 0.00 -0.47 0.05 0.00 -0.96 0.00 0.00 56.93 55.55 1cie s PHE -3 Cb 0.00 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1cie s PHE -3 CO 0.00 -0.07 -0.19 0.15 -1.46 0.00 0.00 175.22 173.65 1cie s LYS -2 N -0.05 2.12 0.33 10.12 -0.14 -1.26 -5.09 119.74 125.76 1cie s LYS -2 Ca -0.03 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1cie s LYS -2 Cb -0.14 -1.78 -0.11 0.00 -1.68 0.00 0.00 37.83 34.12 1cie s LYS -2 CO 0.04 0.25 1.56 0.00 -0.76 0.00 0.00 175.35 176.44 1cie n ALA -1 N 3.20 2.54 -2.61 5.17 0.00 -1.26 -4.69 120.51 122.85 1cie n ALA -1 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1cie n ALA -1 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1cie n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cie n GLY 1 N 1.54 4.59 3.54 0.00 0.00 -1.25 -4.97 105.19 108.64 1cie n GLY 1 Ca 0.06 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1cie n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cie s SER 2 N 0.22 6.33 0.45 1.61 0.15 -1.26 -4.91 113.70 116.29 1cie s SER 2 Ca 0.00 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.66 1cie s SER 2 Cb 0.00 -2.30 1.02 0.00 -1.71 0.00 0.00 66.02 63.04 1cie s SER 2 CO 0.00 -0.61 1.99 0.00 1.20 0.00 0.00 173.24 175.81 1cie h ALA 3 N 8.62 1.63 -0.24 5.45 0.00 -1.89 0.55 119.26 133.39 1cie h ALA 3 Ca -0.27 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1cie h ALA 3 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1cie h ALA 3 CO 0.83 0.24 -0.62 0.87 0.00 0.00 0.00 179.25 180.57 1cie h LYS 4 N 0.00 0.84 -0.50 0.00 1.57 -1.91 -0.48 116.57 116.08 1cie h LYS 4 Ca -0.00 -0.59 -0.10 0.00 -1.87 0.00 0.00 60.65 58.10 1cie h LYS 4 Cb 0.35 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1cie h LYS 4 CO 0.02 1.21 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.84 1cie h LYS 5 N 0.61 0.93 -0.63 3.15 1.63 -1.79 -2.65 116.57 117.81 1cie h LYS 5 Ca -0.01 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.41 1cie h LYS 5 Cb 1.24 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 1cie h LYS 5 CO 0.13 0.98 0.19 0.78 -3.45 0.00 0.00 179.45 178.08 1cie h GLY 6 N 0.78 1.04 0.90 5.01 0.00 -0.82 -1.17 103.07 108.80 1cie h GLY 6 Ca 0.13 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1cie h GLY 6 CO 0.04 0.56 0.55 0.00 0.00 0.00 0.00 176.54 177.68 1cie h ALA 7 N 1.27 1.11 0.01 3.60 0.00 -0.73 0.63 119.26 125.15 1cie h ALA 7 Ca 0.21 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1cie h ALA 7 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cie h ALA 7 CO -0.01 0.40 -0.88 1.79 0.00 0.00 0.00 179.25 180.55 1cie h THR 8 N 1.07 1.51 -0.58 0.00 1.35 -1.34 -1.66 112.91 113.27 1cie h THR 8 Ca 0.33 -2.68 -0.08 0.00 -0.55 0.00 0.00 66.41 63.44 1cie h THR 8 Cb -0.01 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 1cie h THR 8 CO -0.11 0.78 0.07 -0.07 -0.25 0.00 0.00 175.52 175.94 1cie h LEU 9 N 0.09 0.95 0.04 3.87 3.38 -0.71 -1.96 115.31 120.96 1cie h LEU 9 Ca -0.04 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1cie h LEU 9 Cb 1.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1cie h LEU 9 CO 0.13 0.98 -0.15 0.15 0.09 0.00 0.00 178.44 179.65 1cie h PHE 10 N 0.88 -0.38 -0.82 1.13 3.57 -0.70 0.95 116.94 121.57 1cie h PHE 10 Ca 0.17 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1cie h PHE 10 Cb 0.46 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1cie h PHE 10 CO 0.03 -0.22 0.54 0.87 -2.23 0.00 0.00 178.31 177.31 1cie h LYS 11 N -0.26 1.02 0.00 1.11 1.57 -1.21 0.43 116.57 119.22 1cie h LYS 11 Ca 0.04 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1cie h LYS 11 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1cie h LYS 11 CO -0.12 0.68 -0.81 1.79 -0.57 0.00 0.00 179.45 180.42 1cie h THR 12 N 1.05 0.19 0.00 -0.16 1.35 -0.95 -3.37 112.91 111.02 1cie h THR 12 Ca 0.32 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1cie h THR 12 Cb -0.03 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1cie h THR 12 CO -0.08 0.11 -0.95 0.54 -0.25 0.00 0.00 175.52 174.88 1cie n ARG 13 N -2.87 1.14 -0.02 4.72 5.12 0.29 -4.91 116.66 120.13 1cie n ARG 13 Ca -0.01 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.88 1cie n ARG 13 Cb 0.62 -0.98 -0.03 0.00 -1.16 0.00 0.00 32.46 30.92 1cie n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cie h LEU 15 N 0.00 0.40 -0.86 0.00 5.85 -1.16 -1.07 115.31 118.46 1cie h LEU 15 Ca -0.11 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.82 1cie h LEU 15 Cb 1.20 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 1cie h LEU 15 CO -0.01 0.21 0.37 -0.61 -0.34 0.00 0.00 178.44 178.06 1cie h GLN 16 N 0.42 0.42 -0.01 1.25 4.15 -1.84 -3.11 115.11 116.39 1cie h GLN 16 Ca 0.38 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1cie h GLN 16 Cb 0.86 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1cie h GLN 16 CO -0.12 0.28 -0.04 0.00 -1.93 0.00 0.00 178.83 177.01 1cie s HIS 18 N -0.72 0.13 0.26 0.00 3.76 -0.49 -0.34 115.29 117.89 1cie s HIS 18 Ca 0.07 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 1cie s HIS 18 Cb 0.06 -0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.64 1cie s HIS 18 CO 0.11 -0.51 -0.18 0.95 -0.85 0.00 0.00 174.74 174.27 1cie s THR 19 N -3.48 2.62 0.00 1.30 -4.23 -1.26 -4.19 115.64 106.39 1cie s THR 19 Ca 0.02 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1cie s THR 19 Cb 0.03 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1cie s THR 19 CO -0.09 -0.33 0.00 0.55 -0.54 0.00 0.00 174.62 174.21 1cie n VAL 20 N -0.47 0.00 -2.28 2.29 3.14 -1.26 -0.27 118.33 119.48 1cie n VAL 20 Ca -0.07 -0.07 -0.36 0.00 -2.96 0.00 0.00 64.34 60.88 1cie n VAL 20 Cb 0.59 0.49 -0.00 0.00 -1.06 0.00 0.00 33.84 33.86 1cie n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1cie s GLU 21 N -1.27 3.53 0.22 1.45 1.03 -1.26 -2.93 118.70 119.46 1cie s GLU 21 Ca 0.00 1.65 -0.31 0.00 0.03 0.00 0.00 54.97 56.34 1cie s GLU 21 Cb 0.00 -2.16 -0.11 0.00 -0.80 0.00 0.00 34.13 31.06 1cie s GLU 21 CO 0.00 -0.71 1.64 0.21 -1.33 0.00 0.00 175.26 175.07 1cie s LYS 22 N -3.07 4.16 0.00 -4.83 2.20 -1.26 -0.57 119.74 116.36 1cie s LYS 22 Ca 0.69 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 1cie s LYS 22 Cb -0.25 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1cie s LYS 22 CO 0.29 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1cie n GLY 23 N 3.46 1.21 3.79 5.54 0.00 -1.26 -5.03 105.19 112.89 1cie n GLY 23 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1cie n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cie s GLY 24 N -1.76 2.48 0.52 -0.02 0.00 0.26 -5.02 107.32 103.77 1cie s GLY 24 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 1cie s GLY 24 CO 0.00 0.98 0.84 2.56 0.00 0.00 0.00 173.10 177.49 1cie s PRO 25 N -3.42 3.55 0.45 2.90 0.04 -1.26 -4.76 135.00 132.49 1cie s PRO 25 Ca 0.69 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 1cie s PRO 25 Cb -0.19 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1cie s PRO 25 CO 0.26 -0.30 1.05 -1.01 0.04 0.00 0.00 177.00 177.05 1cie s HIS 26 N -2.85 3.10 0.00 0.56 3.76 -1.26 -4.17 115.29 114.43 1cie s HIS 26 Ca 0.49 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 57.00 1cie s HIS 26 Cb -0.10 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1cie s HIS 26 CO 0.47 -0.81 0.00 1.63 -0.85 0.00 0.00 174.74 175.18 1cie n LYS 27 N -0.54 0.53 -0.35 1.40 5.02 -1.26 -4.93 118.16 118.03 1cie n LYS 27 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1cie n LYS 27 Cb 0.51 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.67 1cie n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cie h VAL 28 N 0.00 1.09 -2.12 -0.18 2.07 -1.85 -3.42 116.25 111.84 1cie h VAL 28 Ca 0.00 -0.39 -0.55 0.00 0.82 0.00 0.00 66.70 66.59 1cie h VAL 28 Cb 0.00 -0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 29.55 1cie h VAL 28 CO 0.00 0.21 -0.60 -0.83 0.02 0.00 0.00 177.57 176.37 1cie s GLY 29 N -3.24 1.68 0.65 2.17 0.00 0.54 -5.07 107.32 104.05 1cie s GLY 29 Ca -0.13 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 42.80 1cie s GLY 29 CO 0.81 -1.69 1.06 2.56 0.00 0.00 0.00 173.10 175.85 1cie s PRO 30 N -3.74 3.06 0.40 2.90 0.04 -1.26 -4.61 135.00 131.79 1cie s PRO 30 Ca 0.33 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1cie s PRO 30 Cb -0.06 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1cie s PRO 30 CO 0.21 -1.01 1.40 1.21 0.04 0.00 0.00 177.00 178.85 1cie s ASN 31 N -3.14 6.26 0.00 6.66 3.84 -1.26 -4.45 114.94 122.85 1cie s ASN 31 Ca 0.62 2.86 0.24 0.00 0.21 0.00 0.00 52.86 56.79 1cie s ASN 31 Cb -0.16 -2.65 0.12 0.00 -0.55 0.00 0.00 41.25 38.01 1cie s ASN 31 CO 0.45 -0.91 1.20 0.18 -2.79 0.00 0.00 177.10 175.23 1cie n LEU 32 N 0.24 2.66 -4.59 3.21 4.77 0.63 -4.95 117.00 118.97 1cie n LEU 32 Ca 0.03 -0.91 -0.48 0.00 -0.03 0.00 0.00 56.01 54.61 1cie n LEU 32 Cb 0.41 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1cie n LEU 32 CO 0.60 0.46 0.74 1.57 -1.33 0.00 0.00 177.39 179.42 1cie n HIS 33 N 0.87 1.37 -1.61 -1.77 -0.00 -1.15 -1.33 115.22 111.60 1cie n HIS 33 Ca 0.12 0.66 -0.17 0.00 0.46 0.00 0.00 57.72 58.79 1cie n HIS 33 Cb 0.55 -2.29 -0.07 0.00 -0.12 0.00 0.00 29.99 28.06 1cie n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cie n GLY 34 N 2.00 1.43 0.34 1.57 0.00 0.12 -4.91 105.19 105.74 1cie n GLY 34 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1cie n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cie h ILE 35 N 0.00 1.24 -2.79 -0.61 6.09 -1.42 -3.38 117.51 116.64 1cie h ILE 35 Ca -0.36 -0.70 -0.53 0.00 -1.37 0.00 0.00 64.86 61.90 1cie h ILE 35 Cb 1.15 0.31 0.03 0.00 0.47 0.00 0.00 36.82 38.78 1cie h ILE 35 CO 0.51 0.29 0.91 -0.36 -3.07 0.00 0.00 178.15 176.44 1cie s PHE 36 N -5.57 2.81 0.00 2.19 0.08 -1.26 -1.03 117.98 115.19 1cie s PHE 36 Ca -0.11 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.47 1cie s PHE 36 Cb 0.16 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 1cie s PHE 36 CO 0.82 -3.47 0.00 0.41 -0.10 0.00 0.00 175.22 172.88 1cie n GLY 37 N 3.83 2.48 3.88 4.36 0.00 0.25 -5.02 105.19 114.97 1cie n GLY 37 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1cie n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cie s ARG 38 N -0.56 3.70 0.42 1.61 3.52 -0.20 -4.72 118.95 122.71 1cie s ARG 38 Ca 0.00 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 1cie s ARG 38 Cb 0.00 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 1cie s ARG 38 CO 0.00 -0.21 0.67 -1.01 -0.81 0.00 0.00 175.30 173.95 1cie s HIS 39 N -2.65 3.53 0.44 5.12 3.76 -1.26 -1.47 115.29 122.76 1cie s HIS 39 Ca 0.52 0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 55.79 1cie s HIS 39 Cb -0.10 -2.12 -0.08 0.00 1.11 0.00 0.00 32.58 31.39 1cie s HIS 39 CO 0.39 -0.09 1.20 -1.54 -0.85 0.00 0.00 174.74 173.85 1cie s SER 40 N -4.04 6.23 -0.92 1.40 1.04 0.97 -3.87 113.70 114.51 1cie s SER 40 Ca 0.44 2.39 -0.04 0.00 0.48 0.00 0.00 55.95 59.22 1cie s SER 40 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1cie s SER 40 CO 0.40 -0.88 0.80 0.61 0.98 0.00 0.00 173.24 175.15 1cie n GLY 41 N 0.55 -0.12 0.00 7.32 0.00 -1.26 -4.49 105.19 107.19 1cie n GLY 41 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1cie n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cie n GLN 42 N -3.53 0.66 -2.13 1.61 1.13 -1.25 -4.82 117.38 109.05 1cie n GLN 42 Ca -0.07 -0.30 -0.41 0.00 -1.94 0.00 0.00 57.00 54.28 1cie n GLN 42 Cb 0.57 -0.78 -0.02 0.00 0.11 0.00 0.00 30.24 30.12 1cie n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cie s ALA 43 N -0.18 3.53 0.33 -1.58 0.00 -1.26 -4.96 121.76 117.64 1cie s ALA 43 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1cie s ALA 43 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1cie s ALA 43 CO 0.00 -0.62 0.79 -1.83 0.00 0.00 0.00 175.76 174.10 1cie s GLU 44 N -1.05 4.12 0.00 0.00 -1.05 -1.26 -3.60 118.70 115.85 1cie s GLU 44 Ca 0.53 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.17 1cie s GLU 44 Cb -0.39 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 1cie s GLU 44 CO 0.47 0.16 0.00 0.41 0.95 0.00 0.00 175.26 177.25 1cie n GLY 45 N -0.21 0.56 3.30 -3.83 0.00 -1.26 -5.02 105.19 98.72 1cie n GLY 45 Ca 0.03 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1cie n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cie s TYR 46 N -2.00 2.29 -0.60 1.61 5.04 -1.24 -5.00 117.35 117.46 1cie s TYR 46 Ca 0.00 -0.44 -0.17 0.00 -2.44 0.00 0.00 57.07 54.02 1cie s TYR 46 Cb 0.00 -1.48 0.13 0.00 0.35 0.00 0.00 41.96 40.96 1cie s TYR 46 CO 0.00 -0.04 0.62 0.45 -1.34 0.00 0.00 175.55 175.23 1cie s SER 47 N -0.59 6.25 0.53 4.32 0.15 -1.26 -4.95 113.70 118.15 1cie s SER 47 Ca 0.10 -1.76 -0.04 0.00 0.70 0.00 0.00 55.95 54.95 1cie s SER 47 Cb -0.10 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 1cie s SER 47 CO -0.01 -0.93 0.82 -0.31 1.20 0.00 0.00 173.24 174.01 1cie s TYR 48 N 1.88 3.32 0.66 3.44 2.02 -1.26 -5.07 117.35 122.34 1cie s TYR 48 Ca 0.08 0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 57.25 1cie s TYR 48 Cb -0.25 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1cie s TYR 48 CO 0.03 -0.58 1.05 0.95 -1.57 0.00 0.00 175.55 175.43 1cie s THR 49 N -2.83 4.09 0.14 -0.71 -4.23 -1.26 -4.94 115.64 105.90 1cie s THR 49 Ca 0.51 0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 61.60 1cie s THR 49 Cb -0.10 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1cie s THR 49 CO 0.43 -0.81 1.75 0.44 -0.54 0.00 0.00 174.62 175.90 1cie h ASP 50 N -0.35 0.13 -0.53 3.99 3.32 -1.97 -3.05 116.42 117.96 1cie h ASP 50 Ca -0.45 0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.74 1cie h ASP 50 Cb 1.21 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.67 1cie h ASP 50 CO 0.58 0.11 -0.14 0.00 -1.72 0.00 0.00 179.24 178.07 1cie h ALA 51 N 1.18 0.34 -0.45 3.45 0.00 -1.88 -2.36 119.26 119.54 1cie h ALA 51 Ca 0.13 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1cie h ALA 51 Cb 0.09 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1cie h ALA 51 CO -0.13 -0.44 -0.18 0.97 0.00 0.00 0.00 179.25 179.47 1cie h ILE 52 N -0.01 1.27 -0.20 0.00 2.10 -1.88 0.22 117.51 119.01 1cie h ILE 52 Ca 0.25 -1.30 -0.01 0.00 1.08 0.00 0.00 64.86 64.88 1cie h ILE 52 Cb 0.39 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 1cie h ILE 52 CO -0.55 0.44 0.10 0.40 -1.08 0.00 0.00 178.15 177.47 1cie h ILE 53 N 0.77 1.13 0.00 2.19 2.04 -1.40 -2.91 117.51 119.32 1cie h ILE 53 Ca 0.11 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1cie h ILE 53 Cb 0.71 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1cie h ILE 53 CO 0.05 0.12 -0.51 0.11 0.00 0.00 0.00 178.15 177.93 1cie h LYS 54 N 0.20 0.00 -0.44 2.37 1.57 -1.38 -2.80 116.57 116.08 1cie h LYS 54 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1cie h LYS 54 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1cie h LYS 54 CO -0.01 0.51 0.07 -0.22 -0.57 0.00 0.00 179.45 179.23 1cie h LYS 55 N 0.00 0.67 -6.68 3.15 1.63 -0.81 -3.46 116.57 111.08 1cie h LYS 55 Ca -0.01 -0.13 -0.54 0.00 -0.85 0.00 0.00 60.65 59.12 1cie h LYS 55 Cb 1.06 -0.10 -0.15 0.00 -0.60 0.00 0.00 32.23 32.44 1cie h LYS 55 CO 0.07 0.63 -0.86 -1.71 -3.45 0.00 0.00 179.45 174.13 1cie n ASN 56 N -4.29 -2.02 -4.77 4.20 4.05 -1.06 -4.88 115.26 106.50 1cie n ASN 56 Ca 0.03 -1.02 -0.41 0.00 0.45 0.00 0.00 54.58 53.63 1cie n ASN 56 Cb 0.23 -2.80 -0.02 0.00 1.23 0.00 0.00 39.78 38.42 1cie n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1cie s VAL 57 N -3.59 2.64 -0.31 3.44 1.01 -1.26 -4.66 120.40 117.66 1cie s VAL 57 Ca 0.44 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 1cie s VAL 57 Cb -0.24 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1cie s VAL 57 CO 0.92 0.14 0.30 -0.22 0.00 0.00 0.00 175.10 176.24 1cie s LEU 58 N -1.62 4.28 -0.47 3.92 2.96 -1.26 -0.02 118.68 126.46 1cie s LEU 58 Ca 0.51 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 54.01 1cie s LEU 58 Cb -0.41 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.03 1cie s LEU 58 CO 0.53 -0.22 1.40 0.26 -1.32 0.00 0.00 176.35 177.00 1cie s TRP 59 N 1.90 2.38 0.28 5.38 0.23 -0.54 -4.79 118.94 123.78 1cie s TRP 59 Ca 0.10 0.61 0.04 0.00 -2.03 0.00 0.00 56.10 54.81 1cie s TRP 59 Cb -0.16 -4.35 -0.06 0.00 0.03 0.00 0.00 33.47 28.93 1cie s TRP 59 CO 0.11 -1.93 0.03 0.16 0.96 0.00 0.00 176.95 176.28 1cie s ASP 60 N 4.06 2.07 0.57 2.95 1.47 -1.26 0.88 116.67 127.41 1cie s ASP 60 Ca 0.57 -1.30 0.26 0.00 1.18 0.00 0.00 52.55 53.27 1cie s ASP 60 Cb -0.12 -0.03 1.54 0.00 -0.34 0.00 0.00 42.92 43.97 1cie s ASP 60 CO 0.30 -0.55 2.08 1.05 0.68 0.00 0.00 175.17 178.72 1cie h GLU 61 N 2.30 0.00 -0.05 2.11 4.11 -1.98 -1.57 114.58 119.50 1cie h GLU 61 Ca -0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.00 1cie h GLU 61 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1cie h GLU 61 CO 0.66 0.00 -0.13 -0.91 0.07 0.00 0.00 179.01 178.71 1cie h ASN 62 N 0.00 0.19 -0.20 3.06 4.21 -1.96 -2.77 115.58 118.12 1cie h ASN 62 Ca 0.12 -0.60 -0.04 0.00 1.21 0.00 0.00 56.30 56.98 1cie h ASN 62 Cb 0.57 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1cie h ASN 62 CO -0.00 0.76 -0.03 0.78 -1.29 0.00 0.00 177.43 177.65 1cie h ASN 63 N -0.37 0.37 -0.76 5.81 2.35 -1.83 -3.04 115.58 118.11 1cie h ASN 63 Ca -0.00 -0.35 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1cie h ASN 63 Cb 0.74 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 1cie h ASN 63 CO 0.03 0.64 0.50 -0.03 -1.65 0.00 0.00 177.43 176.91 1cie h MET 64 N 0.10 0.91 -0.28 0.81 4.05 -1.39 -1.32 114.93 117.81 1cie h MET 64 Ca 0.05 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1cie h MET 64 Cb 0.47 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1cie h MET 64 CO 0.02 0.60 0.14 1.03 0.23 0.00 0.00 176.91 178.93 1cie h SER 65 N 0.93 0.36 -0.62 1.39 0.87 -1.38 -0.85 113.55 114.26 1cie h SER 65 Ca 0.30 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1cie h SER 65 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1cie h SER 65 CO -0.09 0.37 0.10 -0.33 -0.53 0.00 0.00 176.83 176.36 1cie h GLU 66 N 0.33 1.03 0.20 2.24 3.07 -1.40 -2.04 114.58 118.00 1cie h GLU 66 Ca 0.10 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1cie h GLU 66 Cb 0.10 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1cie h GLU 66 CO -0.01 0.96 -0.27 -0.92 -1.40 0.00 0.00 179.01 177.37 1cie h TYR 67 N 0.94 -0.72 0.00 4.33 3.20 -1.14 -2.47 116.97 121.11 1cie h TYR 67 Ca 0.19 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1cie h TYR 67 Cb 0.43 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1cie h TYR 67 CO 0.03 -0.38 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.01 1cie h LEU 68 N -0.53 0.00 -0.37 2.82 3.38 -1.09 0.88 115.31 120.40 1cie h LEU 68 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1cie h LEU 68 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1cie h LEU 68 CO -0.10 0.09 0.23 0.74 0.09 0.00 0.00 178.44 179.49 1cie h THR 69 N 0.00 1.07 -0.61 0.22 2.02 -0.90 0.48 112.91 115.19 1cie h THR 69 Ca -0.00 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1cie h THR 69 Cb 0.17 0.55 -0.18 0.00 -1.74 0.00 0.00 68.15 66.95 1cie h THR 69 CO 0.01 0.09 -0.28 0.21 0.37 0.00 0.00 175.52 175.92 1cie s ASN 70 N -5.51 -0.94 0.00 4.18 3.84 -0.83 -3.74 114.94 111.94 1cie s ASN 70 Ca -0.13 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 52.46 1cie s ASN 70 Cb 0.11 1.20 0.00 0.00 -0.55 0.00 0.00 41.25 42.00 1cie s ASN 70 CO 0.72 -0.10 0.00 -2.65 -2.79 0.00 0.00 177.10 172.28 1cie n PRO 71 N 4.05 0.00 0.00 0.43 -0.02 0.24 -1.59 135.00 138.12 1cie n PRO 71 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1cie n PRO 71 Cb 0.60 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 1cie n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cie n LYS 73 N -0.10 0.00 0.10 -0.52 3.00 -1.26 -0.53 118.16 118.85 1cie n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1cie n LYS 73 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1cie n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1cie h TYR 74 N 0.00 0.41 -2.41 5.64 3.20 -1.61 -3.40 116.97 118.79 1cie h TYR 74 Ca 0.00 -0.30 -0.59 0.00 3.14 0.00 0.00 58.73 60.98 1cie h TYR 74 Cb 0.00 -0.02 -0.38 0.00 1.54 0.00 0.00 36.73 37.87 1cie h TYR 74 CO 0.00 1.24 -0.95 -0.89 -1.64 0.00 0.00 178.16 175.92 1cie n ILE 75 N -3.50 -0.95 -1.69 1.81 5.41 0.31 -5.07 119.36 115.69 1cie n ILE 75 Ca -0.07 -3.57 -0.44 0.00 1.00 0.00 0.00 62.75 59.66 1cie n ILE 75 Cb 1.01 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 38.20 1cie n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cie n PRO 76 N 2.71 2.46 0.00 0.38 -0.02 -1.26 -1.17 135.00 138.09 1cie n PRO 76 Ca 0.29 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1cie n PRO 76 Cb 0.47 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1cie n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cie n GLY 77 N 3.82 2.95 3.71 -1.23 0.00 -1.26 -4.85 105.19 108.33 1cie n GLY 77 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1cie n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cie n THR 78 N -1.16 4.06 0.86 2.61 5.66 -0.32 -4.79 114.28 121.20 1cie n THR 78 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 1cie n THR 78 Cb 0.00 -1.49 0.28 0.00 -1.55 0.00 0.00 70.33 67.57 1cie n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1cie n LYS 79 N -1.20 2.13 -2.00 1.09 2.85 -1.26 -4.86 118.16 114.90 1cie n LYS 79 Ca 0.13 -1.69 -0.43 0.00 -1.05 0.00 0.00 58.31 55.27 1cie n LYS 79 Cb 0.46 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 1cie n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1cie s MET 80 N -1.73 3.87 -1.14 -1.58 1.75 -1.26 -4.87 119.30 114.33 1cie s MET 80 Ca 0.35 1.92 -0.05 0.00 -1.25 0.00 0.00 55.69 56.66 1cie s MET 80 Cb 0.20 -4.06 0.26 0.00 2.84 0.00 0.00 34.83 34.07 1cie s MET 80 CO 0.30 -1.22 1.68 0.00 -0.65 0.00 0.00 175.02 175.13 1cie n ALA 81 N 8.32 5.42 -2.92 4.11 0.00 -1.26 -4.93 120.51 129.24 1cie n ALA 81 Ca 0.19 -4.61 -0.27 0.00 0.00 0.00 0.00 53.44 48.75 1cie n ALA 81 Cb 0.44 -2.54 -0.16 0.00 0.00 0.00 0.00 19.45 17.19 1cie n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cie s SER 82 N -0.91 2.24 0.05 0.00 0.15 -1.26 -5.01 113.70 108.95 1cie s SER 82 Ca 0.35 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.91 1cie s SER 82 Cb 0.08 -0.65 1.12 0.00 -1.71 0.00 0.00 66.02 64.87 1cie s SER 82 CO 0.05 0.16 1.88 0.61 1.20 0.00 0.00 173.24 177.13 1cie n GLY 83 N 3.16 -1.52 0.00 9.45 0.00 -1.26 -4.49 105.19 110.53 1cie n GLY 83 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1cie n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cie n GLY 84 N 1.38 1.03 3.22 -0.02 0.00 -1.26 -4.64 105.19 104.90 1cie n GLY 84 Ca 0.06 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1cie n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cie s LEU 85 N -0.59 5.15 0.15 0.99 1.43 0.17 -4.97 118.68 121.00 1cie s LEU 85 Ca 0.00 -1.67 0.07 0.00 -1.03 0.00 0.00 54.13 51.50 1cie s LEU 85 Cb 0.00 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 1cie s LEU 85 CO 0.00 -0.54 1.34 0.11 0.23 0.00 0.00 176.35 177.49 1cie h LYS 86 N 8.30 0.02 -5.86 1.70 6.56 -1.84 -3.33 116.57 122.13 1cie h LYS 86 Ca -0.20 -0.04 -0.58 0.00 -1.06 0.00 0.00 60.65 58.78 1cie h LYS 86 Cb 1.07 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.67 1cie h LYS 86 CO 0.74 0.94 0.13 0.15 -2.06 0.00 0.00 179.45 179.35 1cie s LYS 87 N -2.89 4.32 0.36 3.15 1.02 -1.26 -4.95 119.74 119.49 1cie s LYS 87 Ca 0.00 0.77 0.04 0.00 0.02 0.00 0.00 55.97 56.80 1cie s LYS 87 Cb 0.10 -3.52 0.70 0.00 -0.52 0.00 0.00 37.83 34.60 1cie s LYS 87 CO 0.81 -0.11 2.00 1.49 -0.92 0.00 0.00 175.35 178.63 1cie h GLU 88 N 7.11 0.76 -0.96 1.68 4.81 -1.99 -0.99 114.58 125.00 1cie h GLU 88 Ca -0.35 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1cie h GLU 88 Cb 1.16 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1cie h GLU 88 CO 0.78 0.50 0.64 1.57 -0.73 0.00 0.00 179.01 181.76 1cie h LYS 89 N 0.78 1.27 -0.31 1.92 2.10 -1.98 0.29 116.57 120.64 1cie h LYS 89 Ca 0.25 -0.08 -0.13 0.00 -2.00 0.00 0.00 60.65 58.69 1cie h LYS 89 Cb 0.03 -0.29 -0.00 0.00 -0.90 0.00 0.00 32.23 31.07 1cie h LYS 89 CO -0.07 0.85 -0.33 -0.44 -2.00 0.00 0.00 179.45 177.46 1cie h ASP 90 N 1.31 0.82 -0.53 7.07 3.32 -1.62 -1.75 116.42 125.04 1cie h ASP 90 Ca 0.35 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1cie h ASP 90 Cb -0.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.15 1cie h ASP 90 CO -0.08 1.13 0.33 0.03 -1.72 0.00 0.00 179.24 178.93 1cie h ARG 91 N 0.53 0.72 -0.09 3.56 3.08 -1.12 0.38 114.38 121.44 1cie h ARG 91 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cie h ARG 91 Cb 0.91 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1cie h ARG 91 CO 0.08 0.51 0.04 -0.91 -1.07 0.00 0.00 179.97 178.63 1cie h ASN 92 N 0.72 0.12 -0.30 7.04 2.35 -0.32 0.17 115.58 125.35 1cie h ASN 92 Ca 0.19 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1cie h ASN 92 Cb -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1cie h ASN 92 CO -0.04 0.22 0.16 0.44 -1.65 0.00 0.00 177.43 176.57 1cie h ASP 93 N 0.02 0.38 0.09 5.81 3.32 -1.01 -1.21 116.42 123.82 1cie h ASP 93 Ca 0.03 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1cie h ASP 93 Cb 0.13 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1cie h ASP 93 CO -0.00 0.36 -0.04 0.25 -1.72 0.00 0.00 179.24 178.09 1cie h LEU 94 N 0.37 -0.11 -1.72 1.55 5.85 0.22 -1.24 115.31 120.24 1cie h LEU 94 Ca 0.11 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1cie h LEU 94 Cb 0.07 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1cie h LEU 94 CO -0.02 -0.05 0.30 0.40 -0.34 0.00 0.00 178.44 178.74 1cie h ILE 95 N -0.16 0.95 -0.34 4.05 2.04 -0.67 0.40 117.51 123.78 1cie h ILE 95 Ca -0.01 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1cie h ILE 95 Cb 0.12 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1cie h ILE 95 CO 0.02 0.06 0.05 0.74 0.00 0.00 0.00 178.15 179.03 1cie h THR 96 N 0.35 1.24 -0.25 -0.27 2.02 -0.52 0.43 112.91 115.91 1cie h THR 96 Ca 0.20 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1cie h THR 96 Cb 0.34 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1cie h THR 96 CO -0.05 0.28 0.08 0.22 0.37 0.00 0.00 175.52 176.42 1cie h TYR 97 N 0.39 0.39 -0.56 3.16 3.20 -0.42 -2.89 116.97 120.25 1cie h TYR 97 Ca 0.10 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1cie h TYR 97 Cb 0.36 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1cie h TYR 97 CO 0.02 0.44 0.12 -0.07 -1.64 0.00 0.00 178.16 177.03 1cie h LEU 98 N 0.23 0.87 -0.65 2.82 3.38 0.09 0.14 115.31 122.19 1cie h LEU 98 Ca 0.08 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.92 1cie h LEU 98 Cb 0.23 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1cie h LEU 98 CO -0.00 0.89 0.23 0.50 0.09 0.00 0.00 178.44 180.15 1cie h LYS 99 N 0.81 0.38 -0.08 1.13 3.64 -0.16 -1.32 116.57 120.98 1cie h LYS 99 Ca 0.17 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 1cie h LYS 99 Cb 0.38 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1cie h LYS 99 CO 0.01 0.25 -0.49 -0.22 -2.27 0.00 0.00 179.45 176.72 1cie h LYS 100 N 0.39 0.47 0.00 1.90 3.64 -1.23 -3.34 116.57 118.40 1cie h LYS 100 Ca 0.34 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1cie h LYS 100 Cb 0.47 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1cie h LYS 100 CO -0.36 1.04 -0.76 0.00 -2.27 0.00 0.00 179.45 177.10 1cie h ALA 101 N 0.44 0.62 -0.08 5.00 0.00 -0.61 -3.26 119.26 121.36 1cie h ALA 101 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1cie h ALA 101 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cie h ALA 101 CO 0.10 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.15 1cie n ALA 102 N -2.28 2.56 1.53 0.00 0.00 -0.51 -4.68 120.51 117.14 1cie n ALA 102 Ca -0.01 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.23 1cie n ALA 102 Cb 0.79 -1.19 0.55 0.00 0.00 0.00 0.00 19.45 19.60 1cie n ALA 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59