#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gty n GLY 8 N 0.00 -2.61 2.36 3.17 0.00 -1.26 -4.76 105.19 102.09 3gty n GLY 8 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3gty n GLY 8 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gty n ARG 9 N 0.06 0.30 -0.83 1.61 1.85 -1.26 -5.04 116.66 113.35 3gty n ARG 9 Ca 0.00 -2.45 -0.21 0.00 -1.00 0.00 0.00 57.85 54.20 3gty n ARG 9 Cb 0.00 2.00 -0.05 0.00 -1.05 0.00 0.00 32.46 33.36 3gty n ARG 9 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gty n GLN 10 N -0.47 2.16 -2.26 2.89 10.64 -1.26 -4.92 117.38 124.16 3gty n GLN 10 Ca 0.06 -1.34 -0.41 0.00 -1.83 0.00 0.00 57.00 53.48 3gty n GLN 10 Cb 0.44 -2.31 -0.03 0.00 -0.86 0.00 0.00 30.24 27.48 3gty n GLN 10 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 3gty s ILE 11 N 2.55 3.24 0.41 -0.39 -4.36 -1.26 -4.99 121.20 116.39 3gty s ILE 11 Ca 0.48 1.07 -0.25 0.00 -0.26 0.00 0.00 60.65 61.69 3gty s ILE 11 Cb 0.16 -3.68 -0.08 0.00 1.25 0.00 0.00 42.46 40.10 3gty s ILE 11 CO -0.03 0.18 1.15 -2.16 0.24 0.00 0.00 174.94 174.33 3gty s PRO 12 N -0.50 4.03 0.52 0.37 0.04 -1.26 -4.85 135.00 133.35 3gty s PRO 12 Ca 0.54 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 63.16 3gty s PRO 12 Cb -0.36 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 3gty s PRO 12 CO 0.40 -0.33 0.60 -2.30 0.04 0.00 0.00 177.00 175.41 3gty n PRO 13 N -0.03 0.63 -0.99 0.56 -0.02 -1.26 -4.92 135.00 128.98 3gty n PRO 13 Ca 0.05 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 3gty n PRO 13 Cb 0.47 -1.71 0.13 0.00 -0.02 0.00 0.00 33.50 32.37 3gty n PRO 13 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gty n ASP 14 N 0.64 0.12 -0.33 2.55 5.75 -1.25 -4.93 116.55 119.10 3gty n ASP 14 Ca 0.11 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 3gty n ASP 14 Cb 0.45 -1.42 0.32 0.00 -1.03 0.00 0.00 41.12 39.44 3gty n ASP 14 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3gty h PRO 15 N -1.15 0.78 0.00 0.11 0.11 -1.98 -3.38 132.00 126.49 3gty h PRO 15 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gty h PRO 15 Cb 1.30 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gty h PRO 15 CO 0.43 0.52 0.00 0.28 -0.21 0.00 0.00 178.00 179.01 3gty n VAL 16 N -4.65 0.00 -2.88 3.15 0.31 -1.26 -4.85 118.33 108.14 3gty n VAL 16 Ca 0.20 0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 64.39 3gty n VAL 16 Cb 0.49 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 3gty n VAL 16 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gty s PHE 17 N -0.53 3.47 -0.39 3.52 0.08 -1.26 -4.92 117.98 117.95 3gty s PHE 17 Ca 0.00 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.37 3gty s PHE 17 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3gty s PHE 17 CO 0.00 -0.17 0.36 0.41 -0.10 0.00 0.00 175.22 175.72 3gty n GLY 18 N 3.32 0.80 3.62 4.36 0.00 -1.26 -3.96 105.19 112.08 3gty n GLY 18 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3gty n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gty s ASP 19 N 0.39 6.10 0.47 1.61 2.15 -1.26 -4.77 116.67 121.36 3gty s ASP 19 Ca 0.00 0.09 0.25 0.00 0.43 0.00 0.00 52.55 53.32 3gty s ASP 19 Cb 0.00 -2.13 1.29 0.00 -0.30 0.00 0.00 42.92 41.78 3gty s ASP 19 CO 0.00 -0.01 1.82 -0.37 -0.17 0.00 0.00 175.17 176.44 3gty h VAL 20 N 5.21 0.54 -0.00 1.11 -1.51 -1.88 -2.90 116.25 116.81 3gty h VAL 20 Ca -0.36 -0.08 -0.11 0.00 -1.23 0.00 0.00 66.70 64.92 3gty h VAL 20 Cb 1.18 0.30 0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3gty h VAL 20 CO 0.61 0.04 -0.44 0.25 -1.23 0.00 0.00 177.57 176.80 3gty h LEU 21 N 0.22 0.39 -1.00 4.19 5.85 -1.94 -2.31 115.31 120.71 3gty h LEU 21 Ca 0.52 -0.77 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3gty h LEU 21 Cb 1.64 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 3gty h LEU 21 CO -0.14 1.11 0.28 0.58 -0.34 0.00 0.00 178.44 179.93 3gty h VAL 22 N -0.28 1.23 -0.85 1.05 2.07 -1.89 0.77 116.25 118.35 3gty h VAL 22 Ca -0.05 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.81 3gty h VAL 22 Cb 1.17 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3gty h VAL 22 CO 0.09 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.50 3gty h ALA 23 N 1.32 1.16 0.00 1.67 0.00 -1.51 0.52 119.26 122.43 3gty h ALA 23 Ca 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gty h ALA 23 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gty h ALA 23 CO -0.02 0.28 -0.39 0.87 0.00 0.00 0.00 179.25 179.99 3gty h LYS 24 N 0.97 0.00 0.12 0.00 1.57 -0.41 0.12 116.57 118.94 3gty h LYS 24 Ca 0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3gty h LYS 24 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gty h LYS 24 CO -0.17 0.39 -0.06 1.25 -0.57 0.00 0.00 179.45 180.30 3gty h LEU 25 N 0.00 -0.13 -0.27 2.94 5.85 0.35 -0.03 115.31 124.01 3gty h LEU 25 Ca -0.00 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3gty h LEU 25 Cb 0.70 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 3gty h LEU 25 CO 0.05 0.41 -0.27 0.40 -0.34 0.00 0.00 178.44 178.69 3gty h ILE 26 N -0.74 0.34 -0.22 4.05 2.04 -0.95 0.52 117.51 122.55 3gty h ILE 26 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3gty h ILE 26 Cb 0.54 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3gty h ILE 26 CO 0.03 0.00 0.44 -1.13 0.00 0.00 0.00 178.15 177.49 3gty h ASN 27 N -0.26 0.00 0.00 1.72 -1.24 -0.63 -1.88 115.58 113.28 3gty h ASN 27 Ca 0.14 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.93 3gty h ASN 27 Cb 0.49 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 3gty h ASN 27 CO -0.42 0.00 -1.26 -1.14 -1.29 0.00 0.00 177.43 173.32 3gty n ARG 28 N -3.25 0.55 0.02 6.67 3.00 0.04 -4.25 116.66 119.43 3gty n ARG 28 Ca 0.03 0.55 0.21 0.00 -0.00 0.00 0.00 57.85 58.64 3gty n ARG 28 Cb 0.55 -1.72 0.71 0.00 0.00 0.00 0.00 32.46 32.00 3gty n ARG 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3gty h VAL 29 N -1.00 0.65 -1.06 5.15 3.04 -0.63 -3.43 116.25 118.98 3gty h VAL 29 Ca -0.33 0.00 -0.72 0.00 -1.01 0.00 0.00 66.70 64.64 3gty h VAL 29 Cb 1.24 0.72 0.08 0.00 -2.01 0.00 0.00 31.29 31.32 3gty h VAL 29 CO -0.20 0.00 -0.24 0.80 -1.01 0.00 0.00 177.57 176.92 3gty n MET 30 N -4.23 0.07 -4.60 4.17 0.00 -0.76 -4.99 117.12 106.78 3gty n MET 30 Ca 0.09 0.02 -0.33 0.00 -0.00 0.00 0.00 57.70 57.49 3gty n MET 30 Cb 0.61 -1.26 -0.16 0.00 0.00 0.00 0.00 33.22 32.41 3gty n MET 30 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3gty s TRP 31 N -0.55 2.70 0.00 1.12 -0.00 -1.26 -4.89 118.94 116.06 3gty s TRP 31 Ca 0.76 -1.31 0.00 0.00 -0.00 0.00 0.00 56.10 55.55 3gty s TRP 31 Cb -1.07 -1.84 0.00 0.00 -0.00 0.00 0.00 33.47 30.57 3gty s TRP 31 CO 0.56 -0.60 0.00 -3.47 -0.00 0.00 0.00 176.95 173.44 3gty n ASP 32 N 4.11 0.00 0.00 5.86 2.03 -1.26 -1.69 116.55 125.60 3gty n ASP 32 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 3gty n ASP 32 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3gty n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gty n GLY 33 N 0.00 0.52 3.58 0.27 0.00 -1.26 -5.06 105.19 103.24 3gty n GLY 33 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gty n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gty s LYS 34 N 0.00 3.05 0.73 1.61 -0.14 -0.68 -4.93 119.74 119.38 3gty s LYS 34 Ca 0.00 -1.39 -0.01 0.00 -1.36 0.00 0.00 55.97 53.21 3gty s LYS 34 Cb 0.00 -5.34 0.13 0.00 -1.68 0.00 0.00 37.83 30.94 3gty s LYS 34 CO 0.00 -3.28 1.01 0.21 -0.76 0.00 0.00 175.35 172.52 3gty s LYS 35 N 5.68 1.63 0.00 1.68 2.20 -1.26 -4.06 119.74 125.60 3gty s LYS 35 Ca 0.63 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 3gty s LYS 35 Cb 0.01 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 3gty s LYS 35 CO 0.09 -1.49 0.00 0.25 -0.36 0.00 0.00 175.35 173.85 3gty n THR 36 N -2.86 0.00 -0.06 3.43 -2.24 -1.26 -4.65 114.28 106.64 3gty n THR 36 Ca 0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 3gty n THR 36 Cb 0.61 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3gty n THR 36 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3gty n ILE 37 N -2.00 0.67 -0.25 2.28 5.41 -1.26 -4.38 119.36 119.82 3gty n ILE 37 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.62 3gty n ILE 37 Cb 0.00 -1.62 0.29 0.00 -0.71 0.00 0.00 39.64 37.60 3gty n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gty h ALA 38 N -0.41 1.59 -0.33 -1.39 0.00 -1.83 -1.91 119.26 114.98 3gty h ALA 38 Ca -0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gty h ALA 38 Cb 1.28 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3gty h ALA 38 CO -0.18 0.28 -0.49 1.96 0.00 0.00 0.00 179.25 180.83 3gty h GLN 39 N 0.92 -0.36 -0.69 0.00 4.20 -1.92 0.24 115.11 117.51 3gty h GLN 39 Ca 0.36 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.29 3gty h GLN 39 Cb 0.22 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3gty h GLN 39 CO -0.13 -0.24 0.55 0.87 -0.67 0.00 0.00 178.83 179.22 3gty h LYS 40 N -0.37 0.00 0.10 1.46 1.79 -1.55 0.85 116.57 118.85 3gty h LYS 40 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3gty h LYS 40 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3gty h LYS 40 CO -0.51 0.00 -0.05 0.82 -1.08 0.00 0.00 179.45 178.64 3gty h ILE 41 N 0.00 0.00 0.28 1.86 2.04 -1.04 -3.08 117.51 117.57 3gty h ILE 41 Ca 0.33 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3gty h ILE 41 Cb 1.43 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3gty h ILE 41 CO -0.00 0.00 -0.47 0.58 0.00 0.00 0.00 178.15 178.26 3gty h VAL 42 N -0.96 0.08 0.00 1.67 2.07 0.76 1.29 116.25 121.16 3gty h VAL 42 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3gty h VAL 42 Cb 0.10 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3gty h VAL 42 CO 0.02 0.00 -0.03 1.88 0.02 0.00 0.00 177.57 179.46 3gty h TYR 43 N -0.82 0.00 0.07 1.57 0.05 -1.11 -0.36 116.97 116.37 3gty h TYR 43 Ca -0.02 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.50 3gty h TYR 43 Cb 0.77 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.53 3gty h TYR 43 CO -0.33 0.03 -1.04 0.78 -1.05 0.00 0.00 178.16 176.54 3gty h GLY 44 N 0.20 0.66 2.00 3.88 0.00 -0.70 -2.67 103.07 106.44 3gty h GLY 44 Ca -0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.01 3gty h GLY 44 CO 0.00 1.14 -0.15 0.00 0.00 0.00 0.00 176.54 177.53 3gty h ALA 45 N 0.31 1.26 -0.07 3.60 0.00 0.24 -0.07 119.26 124.52 3gty h ALA 45 Ca -0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3gty h ALA 45 Cb 1.73 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3gty h ALA 45 CO 0.20 0.19 -0.39 0.74 0.00 0.00 0.00 179.25 179.99 3gty h PHE 46 N 0.00 0.18 -0.23 0.00 0.04 -1.02 -2.30 116.94 113.61 3gty h PHE 46 Ca -0.00 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 3gty h PHE 46 Cb 0.41 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 3gty h PHE 46 CO 0.00 0.52 -0.56 -0.44 -0.60 0.00 0.00 178.31 177.23 3gty h ASP 47 N 0.13 0.78 -0.13 2.17 3.32 -0.67 -2.94 116.42 119.07 3gty h ASP 47 Ca 0.01 -0.42 -0.16 0.00 0.02 0.00 0.00 57.03 56.48 3gty h ASP 47 Cb 0.75 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3gty h ASP 47 CO 0.06 1.18 -0.49 0.40 -1.72 0.00 0.00 179.24 178.67 3gty h ILE 48 N 0.53 1.30 -0.69 0.35 2.04 -1.35 -2.95 117.51 116.74 3gty h ILE 48 Ca 0.01 -1.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.12 3gty h ILE 48 Cb 1.14 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 3gty h ILE 48 CO 0.11 0.54 0.21 0.40 0.00 0.00 0.00 178.15 179.42 3gty h ILE 49 N 0.55 1.26 0.00 -0.67 2.04 -1.37 -0.64 117.51 118.67 3gty h ILE 49 Ca 0.03 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 3gty h ILE 49 Cb 1.05 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3gty h ILE 49 CO 0.10 0.35 -0.34 0.08 0.00 0.00 0.00 178.15 178.34 3gty h ARG 50 N 1.02 0.00 -0.36 2.37 0.11 -1.54 -2.39 114.38 113.60 3gty h ARG 50 Ca 0.22 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.19 3gty h ARG 50 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 3gty h ARG 50 CO -0.01 0.34 -0.21 1.49 0.10 0.00 0.00 179.97 181.68 3gty h GLU 51 N 0.00 0.78 -0.64 0.08 4.81 -1.20 0.45 114.58 118.85 3gty h GLU 51 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3gty h GLU 51 Cb 0.75 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3gty h GLU 51 CO 0.04 0.98 0.00 1.63 -0.73 0.00 0.00 179.01 180.93 3gty n LYS 52 N -4.26 3.20 0.00 1.92 5.02 -0.31 -4.34 118.16 119.39 3gty n LYS 52 Ca -0.02 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 3gty n LYS 52 Cb 0.43 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3gty n LYS 52 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3gty n THR 53 N 0.63 0.00 -3.35 -0.18 -1.04 -0.92 -5.04 114.28 104.39 3gty n THR 53 Ca 0.19 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.03 3gty n THR 53 Cb 0.75 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.34 3gty n THR 53 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gty n LYS 54 N -1.06 -6.34 -4.21 -2.82 4.76 0.16 -5.04 118.16 103.60 3gty n LYS 54 Ca 0.00 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 3gty n LYS 54 Cb 0.00 -5.57 -0.10 0.00 -1.84 0.00 0.00 35.03 27.52 3gty n LYS 54 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3gty s LYS 55 N -5.47 1.20 -0.30 1.97 1.02 -1.26 -5.09 119.74 111.81 3gty s LYS 55 Ca 0.13 -1.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.20 3gty s LYS 55 Cb -0.06 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.41 3gty s LYS 55 CO 0.66 -0.35 1.46 0.34 -0.92 0.00 0.00 175.35 176.54 3gty s ASP 56 N -3.17 6.46 0.09 2.83 2.15 -1.26 -4.48 116.67 119.29 3gty s ASP 56 Ca 0.37 1.28 -0.28 0.00 0.43 0.00 0.00 52.55 54.35 3gty s ASP 56 Cb 0.07 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 40.02 3gty s ASP 56 CO 0.11 -1.25 1.65 -0.65 -0.17 0.00 0.00 175.17 174.86 3gty h PRO 57 N 10.29 -0.53 -0.97 4.34 0.11 -1.93 0.13 132.00 143.45 3gty h PRO 57 Ca -0.29 0.04 0.30 0.00 0.11 0.00 0.00 66.00 66.15 3gty h PRO 57 Cb 1.12 0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 3gty h PRO 57 CO 1.03 -0.35 0.46 1.25 -0.21 0.00 0.00 178.00 180.18 3gty h LEU 58 N -0.55 0.34 -0.19 2.35 5.85 -1.93 0.92 115.31 122.10 3gty h LEU 58 Ca -0.02 0.20 -0.22 0.00 0.84 0.00 0.00 57.88 58.68 3gty h LEU 58 Cb 0.49 0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.71 3gty h LEU 58 CO -0.02 -0.15 -0.76 -0.33 -0.34 0.00 0.00 178.44 176.84 3gty h GLU 59 N 0.28 0.79 -0.52 1.25 4.39 -1.80 -2.50 114.58 116.46 3gty h GLU 59 Ca 0.68 -0.63 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3gty h GLU 59 Cb 1.50 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.26 3gty h GLU 59 CO -0.63 1.24 0.22 0.28 -1.16 0.00 0.00 179.01 178.96 3gty h VAL 60 N 0.54 1.21 -0.08 3.13 2.07 0.19 -2.60 116.25 120.71 3gty h VAL 60 Ca -0.05 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3gty h VAL 60 Cb 1.38 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3gty h VAL 60 CO 0.16 0.25 -0.21 0.15 0.02 0.00 0.00 177.57 177.94 3gty h PHE 61 N 0.71 -0.55 -0.11 1.57 3.57 0.60 0.25 116.94 122.97 3gty h PHE 61 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3gty h PHE 61 Cb 0.18 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3gty h PHE 61 CO 0.00 -0.29 -0.39 0.00 -2.23 0.00 0.00 178.31 175.40 3gty h ARG 62 N -0.29 -0.40 0.00 1.11 3.08 -1.36 0.42 114.38 116.95 3gty h ARG 62 Ca 0.09 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3gty h ARG 62 Cb 0.41 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3gty h ARG 62 CO -0.25 -0.27 -0.08 0.37 -1.07 0.00 0.00 179.97 178.68 3gty h GLN 63 N -0.41 0.00 0.24 0.04 5.75 -1.18 0.43 115.11 119.98 3gty h GLN 63 Ca 0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3gty h GLN 63 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3gty h GLN 63 CO -0.32 0.08 -0.12 0.00 -2.65 0.00 0.00 178.83 175.82 3gty h ALA 64 N 1.92 -0.33 -0.21 3.38 0.00 0.36 -2.75 119.26 121.63 3gty h ALA 64 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3gty h ALA 64 Cb 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3gty h ALA 64 CO 0.01 -0.40 0.02 -0.24 0.00 0.00 0.00 179.25 178.64 3gty h VAL 65 N -0.90 0.87 -0.97 0.00 3.04 0.59 -1.81 116.25 117.08 3gty h VAL 65 Ca -0.03 -0.03 0.31 0.00 -1.01 0.00 0.00 66.70 65.94 3gty h VAL 65 Cb 0.50 0.77 -0.16 0.00 -2.01 0.00 0.00 31.29 30.39 3gty h VAL 65 CO 0.05 0.02 0.35 -0.33 -1.01 0.00 0.00 177.57 176.65 3gty h GLU 66 N 0.09 0.13 -0.51 4.17 4.39 -0.25 0.28 114.58 122.87 3gty h GLU 66 Ca 0.10 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 3gty h GLU 66 Cb 0.11 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3gty h GLU 66 CO -0.15 0.08 -0.17 -0.91 -1.16 0.00 0.00 179.01 176.70 3gty h ASN 67 N 0.13 1.03 1.34 1.42 2.35 -1.02 -2.89 115.58 117.93 3gty h ASN 67 Ca 0.69 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3gty h ASN 67 Cb 1.58 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 3gty h ASN 67 CO -0.74 1.17 -0.06 -0.37 -1.65 0.00 0.00 177.43 175.78 3gty h VAL 68 N 0.88 0.13 -1.64 2.81 -1.51 -0.14 -3.44 116.25 113.34 3gty h VAL 68 Ca 0.12 -0.84 -0.65 0.00 -1.23 0.00 0.00 66.70 64.10 3gty h VAL 68 Cb 0.75 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 3gty h VAL 68 CO 0.06 0.06 1.20 0.29 -1.23 0.00 0.00 177.57 177.94 3gty n LYS 69 N -3.15 1.62 -2.19 5.19 5.02 -0.22 -4.74 118.16 119.69 3gty n LYS 69 Ca 0.02 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.59 3gty n LYS 69 Cb 0.42 -2.53 0.07 0.00 -0.02 0.00 0.00 35.03 32.96 3gty n LYS 69 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3gty s PRO 70 N 4.85 2.22 -0.02 1.97 0.04 -1.26 -5.03 135.00 137.77 3gty s PRO 70 Ca 1.00 -0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.85 3gty s PRO 70 Cb -0.79 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 3gty s PRO 70 CO 0.52 -1.23 0.05 0.28 0.04 0.00 0.00 177.00 176.67 3gty n VAL 71 N -2.92 0.15 -4.25 -0.36 0.31 -1.26 -4.83 118.33 105.16 3gty n VAL 71 Ca 0.08 -0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.13 3gty n VAL 71 Cb 0.60 -0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.14 3gty n VAL 71 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gty s LEU 72 N -3.85 1.43 0.00 7.52 1.02 -1.26 0.21 118.68 123.75 3gty s LEU 72 Ca -0.02 -1.37 -0.06 0.00 0.02 0.00 0.00 54.13 52.70 3gty s LEU 72 Cb 0.02 0.21 0.02 0.00 0.02 0.00 0.00 46.19 46.46 3gty s LEU 72 CO 0.18 -0.78 0.37 -1.84 0.02 0.00 0.00 176.35 174.31 3gty n GLU 73 N -0.34 0.54 -4.50 1.70 0.28 0.77 -4.72 120.64 114.36 3gty n GLU 73 Ca 0.00 -1.22 -0.23 0.00 -0.16 0.00 0.00 57.16 55.56 3gty n GLU 73 Cb 0.66 1.43 -0.16 0.00 1.43 0.00 0.00 31.44 34.80 3gty n GLU 73 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3gty s VAL 74 N -2.56 0.97 -0.06 3.84 1.01 -1.26 -0.04 120.40 122.30 3gty s VAL 74 Ca 0.10 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3gty s VAL 74 Cb -0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3gty s VAL 74 CO 0.07 0.31 -0.20 -0.13 0.00 0.00 0.00 175.10 175.15 3gty s ARG 75 N 0.39 2.27 0.35 2.72 1.81 -0.20 -4.93 118.95 121.36 3gty s ARG 75 Ca -0.08 -0.72 -0.28 0.00 -1.72 0.00 0.00 55.73 52.93 3gty s ARG 75 Cb -0.12 -1.86 -0.10 0.00 -0.45 0.00 0.00 34.95 32.41 3gty s ARG 75 CO 0.02 0.22 1.37 -1.25 -0.68 0.00 0.00 175.30 174.98 3gty s PRO 76 N 0.17 4.25 0.44 3.54 0.04 -1.26 -2.58 135.00 139.61 3gty s PRO 76 Ca -0.09 2.34 0.03 0.00 0.04 0.00 0.00 61.00 63.32 3gty s PRO 76 Cb -0.14 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3gty s PRO 76 CO 0.05 -0.32 0.10 0.50 0.04 0.00 0.00 177.00 177.37 3gty s ARG 77 N -1.92 2.01 -0.20 4.56 3.52 -0.31 -4.91 118.95 121.70 3gty s ARG 77 Ca 0.50 -2.25 -0.04 0.00 -0.13 0.00 0.00 55.73 53.82 3gty s ARG 77 Cb -0.42 -0.82 0.10 0.00 -1.56 0.00 0.00 34.95 32.25 3gty s ARG 77 CO 0.56 -0.47 0.29 0.50 -0.81 0.00 0.00 175.30 175.38 3gty s ARG 78 N -3.74 0.24 -0.62 5.12 3.52 -1.26 -2.04 118.95 120.18 3gty s ARG 78 Ca 0.19 0.44 0.06 0.00 -0.13 0.00 0.00 55.73 56.28 3gty s ARG 78 Cb 0.02 -0.71 0.24 0.00 -1.56 0.00 0.00 34.95 32.94 3gty s ARG 78 CO 0.12 -0.57 0.70 0.28 -0.81 0.00 0.00 175.30 175.01 3gty n VAL 79 N 5.34 1.94 0.00 7.11 0.31 -1.26 -4.90 118.33 126.87 3gty n VAL 79 Ca -0.05 -5.05 0.00 0.00 -0.01 0.00 0.00 64.34 59.23 3gty n VAL 79 Cb 0.50 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3gty n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gty n GLY 80 N 1.01 2.32 0.00 2.92 0.00 -1.26 -4.87 105.19 105.31 3gty n GLY 80 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3gty n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gty n GLY 81 N 0.00 1.58 3.63 -0.02 0.00 -1.26 -5.13 105.19 103.99 3gty n GLY 81 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3gty n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gty s ALA 82 N -4.00 -2.06 -0.16 4.61 0.00 -1.26 -4.95 121.76 113.94 3gty s ALA 82 Ca 0.00 1.76 -0.07 0.00 0.00 0.00 0.00 51.96 53.65 3gty s ALA 82 Cb 0.00 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.73 3gty s ALA 82 CO 0.00 -0.21 0.14 2.41 0.00 0.00 0.00 175.76 178.10 3gty n THR 83 N 1.48 -9.96 -4.13 0.00 -1.04 -0.97 -4.96 114.28 94.69 3gty n THR 83 Ca -0.10 1.85 -0.17 0.00 -2.04 0.00 0.00 64.05 63.60 3gty n THR 83 Cb 0.57 -5.82 -0.15 0.00 -1.82 0.00 0.00 70.33 63.11 3gty n THR 83 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3gty s TYR 84 N -0.66 0.49 -0.44 -1.42 2.02 -0.87 -4.92 117.35 111.56 3gty s TYR 84 Ca -0.16 -0.09 -0.23 0.00 -0.37 0.00 0.00 57.07 56.22 3gty s TYR 84 Cb 0.01 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.23 3gty s TYR 84 CO 0.57 -0.05 0.77 -0.65 -1.57 0.00 0.00 175.55 174.62 3gty s GLN 85 N 0.18 3.42 -0.35 -0.62 -1.52 -1.26 -1.16 119.66 118.35 3gty s GLN 85 Ca -0.02 -0.10 -0.08 0.00 -1.95 0.00 0.00 55.36 53.21 3gty s GLN 85 Cb -0.05 -3.93 0.03 0.00 -0.22 0.00 0.00 33.01 28.84 3gty s GLN 85 CO -0.00 -1.08 0.14 0.08 -0.25 0.00 0.00 175.29 174.18 3gty s VAL 86 N 3.22 4.16 -0.01 1.09 1.01 -1.06 -4.74 120.40 124.06 3gty s VAL 86 Ca 0.29 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3gty s VAL 86 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3gty s VAL 86 CO 0.22 -0.15 1.11 -2.16 0.00 0.00 0.00 175.10 174.11 3gty s PRO 87 N 1.48 4.45 0.13 2.72 0.04 -1.26 -1.03 135.00 141.54 3gty s PRO 87 Ca 0.01 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.70 3gty s PRO 87 Cb -0.19 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 3gty s PRO 87 CO 0.04 -0.25 -0.14 0.96 0.04 0.00 0.00 177.00 177.65 3gty s ILE 88 N 1.47 1.40 0.74 0.56 -4.36 0.94 -4.83 121.20 117.12 3gty s ILE 88 Ca 0.55 -1.80 -0.11 0.00 -0.26 0.00 0.00 60.65 59.02 3gty s ILE 88 Cb -0.24 -1.63 0.03 0.00 1.25 0.00 0.00 42.46 41.87 3gty s ILE 88 CO 0.25 -0.45 1.09 -0.70 0.24 0.00 0.00 174.94 175.38 3gty s GLU 89 N -2.85 2.58 -0.11 0.37 2.12 -1.26 -0.17 118.70 119.38 3gty s GLU 89 Ca 0.11 0.59 -0.02 0.00 0.36 0.00 0.00 54.97 56.01 3gty s GLU 89 Cb -0.04 -1.98 0.04 0.00 0.26 0.00 0.00 34.13 32.41 3gty s GLU 89 CO 0.03 -1.26 0.01 0.08 -0.54 0.00 0.00 175.26 173.58 3gty s VAL 90 N -3.24 0.48 0.37 3.70 1.01 0.57 -4.71 120.40 118.58 3gty s VAL 90 Ca 0.59 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.51 3gty s VAL 90 Cb -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3gty s VAL 90 CO 0.53 0.12 0.24 0.00 0.00 0.00 0.00 175.10 176.00 3gty s GLN 91 N 1.92 1.87 1.45 2.72 -2.07 -1.26 -4.56 119.66 119.73 3gty s GLN 91 Ca 0.03 -2.12 0.00 0.00 -1.82 0.00 0.00 55.36 51.45 3gty s GLN 91 Cb -0.14 0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 3gty s GLN 91 CO -0.06 -0.63 0.00 0.39 -1.32 0.00 0.00 175.29 173.67 3gty n GLU 92 N -0.76 -0.57 0.26 9.60 1.02 -1.26 -3.27 120.64 125.66 3gty n GLU 92 Ca 0.03 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3gty n GLU 92 Cb 0.63 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 3gty n GLU 92 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3gty n PRO 93 N -2.22 0.02 0.17 3.49 -0.02 -1.26 -2.09 135.00 133.10 3gty n PRO 93 Ca 0.00 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 3gty n PRO 93 Cb 0.13 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 3gty n PRO 93 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gty h ARG 94 N 0.00 -0.37 0.53 -0.52 9.65 -1.85 -1.57 114.38 120.26 3gty h ARG 94 Ca 0.00 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3gty h ARG 94 Cb 1.69 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 30.36 3gty h ARG 94 CO 0.00 -0.17 -0.26 0.07 2.80 0.00 0.00 179.97 182.42 3gty h ARG 95 N -0.50 -0.69 -0.95 0.20 0.11 -1.55 0.20 114.38 111.20 3gty h ARG 95 Ca -0.04 0.05 0.26 0.00 0.10 0.00 0.00 59.98 60.35 3gty h ARG 95 Cb 0.38 0.16 -0.05 0.00 1.11 0.00 0.00 29.97 31.56 3gty h ARG 95 CO 0.06 -0.44 0.66 0.00 0.10 0.00 0.00 179.97 180.36 3gty h THR 96 N -0.76 0.56 0.08 0.08 1.03 -1.68 0.48 112.91 112.70 3gty h THR 96 Ca -0.07 -0.04 -0.14 0.00 -0.01 0.00 0.00 66.41 66.15 3gty h THR 96 Cb 0.57 0.41 0.01 0.00 -1.07 0.00 0.00 68.15 68.07 3gty h THR 96 CO 0.12 0.02 -0.63 -1.28 -0.01 0.00 0.00 175.52 173.74 3gty h SER 97 N 0.13 0.27 -0.83 0.00 0.87 -1.02 -3.27 113.55 109.70 3gty h SER 97 Ca 0.47 -0.93 0.17 0.00 -1.23 0.00 0.00 61.79 60.27 3gty h SER 97 Cb 1.64 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.46 3gty h SER 97 CO -0.08 1.29 0.55 0.25 -0.53 0.00 0.00 176.83 178.31 3gty h LEU 98 N -0.62 0.43 0.61 2.23 5.85 0.31 0.14 115.31 124.25 3gty h LEU 98 Ca -0.13 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3gty h LEU 98 Cb 1.41 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.40 3gty h LEU 98 CO 0.07 0.20 -0.29 0.00 -0.34 0.00 0.00 178.44 178.08 3gty h ALA 99 N 1.63 -0.82 -0.53 1.25 0.00 -1.01 -2.79 119.26 116.98 3gty h ALA 99 Ca 0.42 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3gty h ALA 99 Cb 0.95 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3gty h ALA 99 CO -0.15 -0.82 0.11 -0.07 0.00 0.00 0.00 179.25 178.32 3gty h LEU 100 N -1.09 0.01 0.00 0.00 4.07 -1.44 0.59 115.31 117.46 3gty h LEU 100 Ca -0.08 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3gty h LEU 100 Cb 0.68 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3gty h LEU 100 CO 0.14 0.03 0.02 -1.14 -1.08 0.00 0.00 178.44 176.41 3gty n ARG 101 N -5.11 0.00 -0.03 1.13 0.63 0.43 -1.60 116.66 112.11 3gty n ARG 101 Ca 0.07 0.32 -0.06 0.00 -0.92 0.00 0.00 57.85 57.26 3gty n ARG 101 Cb 0.27 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 31.63 3gty n ARG 101 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3gty n TRP 102 N -1.31 0.00 0.07 -0.14 8.01 0.17 -3.77 117.44 120.47 3gty n TRP 102 Ca 0.00 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 3gty n TRP 102 Cb 0.02 -0.25 -0.10 0.00 -2.01 0.00 0.00 31.31 28.97 3gty n TRP 102 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 3gty h ILE 103 N -0.12 0.00 -0.07 -0.99 1.08 -0.25 -0.84 117.51 116.32 3gty h ILE 103 Ca -0.16 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3gty h ILE 103 Cb 1.19 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 3gty h ILE 103 CO -0.06 0.00 -0.01 0.58 -0.69 0.00 0.00 178.15 177.97 3gty h VAL 104 N -0.68 1.27 -1.00 1.67 2.07 -1.54 -2.52 116.25 115.51 3gty h VAL 104 Ca 0.01 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.77 3gty h VAL 104 Cb 0.72 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3gty h VAL 104 CO -0.34 0.23 0.64 -0.08 0.02 0.00 0.00 177.57 178.05 3gty h GLU 105 N -0.19 1.07 -0.02 1.57 4.81 -1.63 -1.93 114.58 118.26 3gty h GLU 105 Ca 0.02 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 3gty h GLU 105 Cb 0.37 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3gty h GLU 105 CO 0.00 0.71 -0.89 0.00 -0.73 0.00 0.00 179.01 178.10 3gty h ALA 106 N 1.49 0.40 -0.79 2.92 0.00 -1.15 -3.16 119.26 118.97 3gty h ALA 106 Ca 0.46 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3gty h ALA 106 Cb 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3gty h ALA 106 CO -0.21 0.79 0.52 0.00 0.00 0.00 0.00 179.25 180.36 3gty h ALA 107 N 0.76 1.60 0.48 0.00 0.00 -0.91 -3.13 119.26 118.06 3gty h ALA 107 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gty h ALA 107 Cb 1.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3gty h ALA 107 CO 0.16 0.29 -0.23 0.00 0.00 0.00 0.00 179.25 179.46 3gty h ARG 108 N 0.89 -0.63 -2.03 0.00 3.08 -1.38 -3.29 114.38 111.03 3gty h ARG 108 Ca 0.34 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3gty h ARG 108 Cb 0.18 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gty h ARG 108 CO -0.11 -0.41 -0.04 0.00 -1.07 0.00 0.00 179.97 178.34 3gty n ALA 109 N -2.37 3.84 -3.73 0.04 0.00 -1.18 -4.88 120.51 112.23 3gty n ALA 109 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 3gty n ALA 109 Cb 0.27 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 3gty n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gty n LYS 110 N 1.76 1.13 0.00 0.00 4.76 -1.24 -5.09 118.16 119.49 3gty n LYS 110 Ca 0.06 -1.62 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 3gty n LYS 110 Cb 0.46 0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 3gty n LYS 110 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3gty n LYS 111 N -1.07 0.00 0.00 1.97 3.00 -1.26 -4.99 118.16 115.81 3gty n LYS 111 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3gty n LYS 111 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 3gty n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gty n GLY 112 N 3.49 0.99 2.00 3.14 0.00 -1.26 -4.85 105.19 108.69 3gty n GLY 112 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3gty n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gty n ARG 113 N 8.74 0.00 -2.55 1.61 3.00 -1.26 -5.15 116.66 121.05 3gty n ARG 113 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.61 3gty n ARG 113 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.52 3gty n ARG 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3gty s PRO 114 N -1.00 2.24 -0.13 5.56 0.05 -1.26 -5.01 135.00 135.44 3gty s PRO 114 Ca 0.00 -0.79 0.18 0.00 0.05 0.00 0.00 61.00 60.44 3gty s PRO 114 Cb 0.00 -2.39 -0.26 0.00 0.05 0.00 0.00 34.50 31.90 3gty s PRO 114 CO 0.00 -1.01 0.26 -0.12 0.05 0.00 0.00 177.00 176.18 3gty n MET 115 N -2.58 0.67 -0.36 4.56 1.56 -1.26 -3.04 117.12 116.68 3gty n MET 115 Ca 0.10 -0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.54 3gty n MET 115 Cb 0.60 -1.57 0.15 0.00 2.15 0.00 0.00 33.22 34.56 3gty n MET 115 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3gty h LYS 116 N 0.00 1.13 0.15 2.12 3.64 -1.95 -2.04 116.57 119.63 3gty h LYS 116 Ca -0.39 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3gty h LYS 116 Cb 1.94 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 3gty h LYS 116 CO 0.03 0.75 -0.07 0.93 -2.27 0.00 0.00 179.45 178.82 3gty h GLU 117 N 1.17 -0.20 -1.49 1.90 5.08 -1.95 -2.92 114.58 116.18 3gty h GLU 117 Ca 0.41 0.01 0.45 0.00 -1.00 0.00 0.00 59.36 59.23 3gty h GLU 117 Cb 0.10 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 3gty h GLU 117 CO -0.15 0.20 1.03 0.87 -1.00 0.00 0.00 179.01 179.95 3gty h LYS 118 N -0.93 0.06 0.22 2.33 1.57 -1.47 -0.11 116.57 118.25 3gty h LYS 118 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3gty h LYS 118 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gty h LYS 118 CO 0.03 0.04 -0.11 1.25 -0.57 0.00 0.00 179.45 180.10 3gty h LEU 119 N 0.06 -0.25 -0.90 2.94 5.85 -1.35 -2.03 115.31 119.64 3gty h LEU 119 Ca 0.79 -0.12 0.25 0.00 0.84 0.00 0.00 57.88 59.64 3gty h LEU 119 Cb 2.82 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 43.77 3gty h LEU 119 CO -0.19 0.25 0.26 0.00 -0.34 0.00 0.00 178.44 178.42 3gty h ALA 120 N -0.87 1.34 -0.93 1.25 0.00 -1.21 0.10 119.26 118.94 3gty h ALA 120 Ca -0.03 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3gty h ALA 120 Cb 0.36 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3gty h ALA 120 CO 0.05 -0.49 0.60 1.49 0.00 0.00 0.00 179.25 180.89 3gty h GLU 121 N 0.20 1.08 0.14 0.00 4.57 -0.96 0.12 114.58 119.73 3gty h GLU 121 Ca 0.57 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 3gty h GLU 121 Cb 1.18 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3gty h GLU 121 CO -0.67 0.72 -0.07 0.93 -1.18 0.00 0.00 179.01 178.74 3gty h GLU 122 N 1.11 -0.18 -1.02 1.92 4.39 -0.27 -2.68 114.58 117.86 3gty h GLU 122 Ca 0.39 0.01 0.35 0.00 0.34 0.00 0.00 59.36 60.45 3gty h GLU 122 Cb 0.10 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.64 3gty h GLU 122 CO -0.15 0.06 0.58 0.82 -1.16 0.00 0.00 179.01 179.15 3gty h ILE 123 N -1.01 0.24 0.00 3.13 2.04 -0.75 0.97 117.51 122.12 3gty h ILE 123 Ca -0.02 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gty h ILE 123 Cb 0.32 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3gty h ILE 123 CO 0.03 0.05 -0.17 -0.29 0.00 0.00 0.00 178.15 177.77 3gty h ILE 124 N 0.25 1.58 0.12 -0.67 6.09 -0.88 0.24 117.51 124.24 3gty h ILE 124 Ca 0.76 -1.93 0.01 0.00 -1.37 0.00 0.00 64.86 62.33 3gty h ILE 124 Cb 1.82 2.83 -0.02 0.00 0.47 0.00 0.00 36.82 41.92 3gty h ILE 124 CO -0.63 0.52 -0.16 0.00 -3.07 0.00 0.00 178.15 174.81 3gty h ALA 125 N 0.23 -0.29 -0.97 0.18 0.00 -0.71 0.13 119.26 117.83 3gty h ALA 125 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.98 3gty h ALA 125 Cb 0.94 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3gty h ALA 125 CO 0.03 -0.69 0.62 0.00 0.00 0.00 0.00 179.25 179.20 3gty h ALA 126 N 0.49 1.61 -0.63 0.00 0.00 0.19 0.33 119.26 121.26 3gty h ALA 126 Ca 0.02 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3gty h ALA 126 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gty h ALA 126 CO -0.07 0.14 0.42 -0.92 0.00 0.00 0.00 179.25 178.81 3gty h TYR 127 N 0.91 0.53 -0.88 0.00 3.20 0.18 -1.32 116.97 119.59 3gty h TYR 127 Ca 0.49 0.01 -0.50 0.00 3.14 0.00 0.00 58.73 61.87 3gty h TYR 127 Cb 0.57 -0.17 -0.28 0.00 1.54 0.00 0.00 36.73 38.39 3gty h TYR 127 CO -0.00 0.26 0.53 0.09 -1.64 0.00 0.00 178.16 177.39 3gty n ASN 128 N -4.48 4.48 -2.78 -2.11 3.02 0.10 -4.85 115.26 108.65 3gty n ASN 128 Ca 0.10 -3.69 -0.15 0.00 -0.03 0.00 0.00 54.58 50.81 3gty n ASN 128 Cb 0.33 -0.82 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 3gty n ASN 128 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gty n ASN 129 N -1.08 -3.66 -3.89 6.41 4.05 -0.50 -4.97 115.26 111.62 3gty n ASN 129 Ca 0.56 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 55.40 3gty n ASN 129 Cb 1.31 -3.09 -0.09 0.00 1.23 0.00 0.00 39.78 39.14 3gty n ASN 129 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3gty s THR 130 N -2.69 0.29 0.00 -0.44 -1.32 -0.43 -4.99 115.64 106.05 3gty s THR 130 Ca 0.15 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 3gty s THR 130 Cb -0.08 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 3gty s THR 130 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 3gty n GLY 131 N -0.62 2.71 0.57 6.08 0.00 -1.26 -1.57 105.19 111.09 3gty n GLY 131 Ca 0.01 -1.68 0.40 0.00 0.00 0.00 0.00 46.02 44.76 3gty n GLY 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gty h THR 132 N 0.00 0.25 -0.65 2.61 1.35 -1.99 0.24 112.91 114.72 3gty h THR 132 Ca 0.00 -0.02 0.14 0.00 -0.55 0.00 0.00 66.41 65.98 3gty h THR 132 Cb 0.00 0.20 -0.11 0.00 -1.73 0.00 0.00 68.15 66.51 3gty h THR 132 CO 0.00 0.01 -0.01 0.00 -0.25 0.00 0.00 175.52 175.27 3gty h ALA 133 N 1.34 0.63 0.00 6.62 0.00 -1.87 -1.94 119.26 124.04 3gty h ALA 133 Ca 0.72 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 55.70 3gty h ALA 133 Cb 2.70 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 20.83 3gty h ALA 133 CO -0.10 -0.40 -1.00 0.82 0.00 0.00 0.00 179.25 178.57 3gty h ILE 134 N 0.10 0.68 -0.31 0.00 2.04 -1.22 -3.30 117.51 115.50 3gty h ILE 134 Ca 0.34 -2.11 0.05 0.00 1.00 0.00 0.00 64.86 64.14 3gty h ILE 134 Cb 0.56 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3gty h ILE 134 CO -0.57 0.39 -0.00 0.50 0.00 0.00 0.00 178.15 178.47 3gty h LYS 135 N 0.00 0.09 -0.82 2.37 3.64 -1.06 0.22 116.57 121.00 3gty h LYS 135 Ca -0.09 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.44 3gty h LYS 135 Cb 1.49 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.20 3gty h LYS 135 CO 0.06 0.06 0.39 0.87 -2.27 0.00 0.00 179.45 178.56 3gty h LYS 136 N 0.09 0.54 0.00 1.90 1.57 -1.59 0.33 116.57 119.40 3gty h LYS 136 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gty h LYS 136 Cb 0.20 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3gty h LYS 136 CO -0.25 0.36 0.00 1.17 -0.57 0.00 0.00 179.45 180.15 3gty n LYS 137 N -4.92 0.00 0.00 3.15 4.81 -0.01 -2.38 118.16 118.81 3gty n LYS 137 Ca 0.17 0.57 0.08 0.00 -0.87 0.00 0.00 58.31 58.25 3gty n LYS 137 Cb 0.44 -1.38 0.38 0.00 0.02 0.00 0.00 35.03 34.49 3gty n LYS 137 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3gty n GLU 138 N -1.96 0.15 0.08 1.64 1.02 -0.76 -2.77 120.64 118.05 3gty n GLU 138 Ca 0.00 0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 3gty n GLU 138 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 3gty n GLU 138 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3gty h ASP 139 N 0.00 -0.26 -0.39 1.62 1.82 0.03 -1.54 116.42 117.70 3gty h ASP 139 Ca 0.00 -0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 3gty h ASP 139 Cb 0.19 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 3gty h ASP 139 CO 0.00 0.20 0.18 0.71 -1.61 0.00 0.00 179.24 178.73 3gty h THR 140 N -1.08 0.96 -1.10 2.25 1.35 -1.56 -2.77 112.91 110.96 3gty h THR 140 Ca -0.03 -0.13 0.30 0.00 -0.55 0.00 0.00 66.41 66.00 3gty h THR 140 Cb 0.25 0.55 -0.08 0.00 -1.73 0.00 0.00 68.15 67.14 3gty h THR 140 CO 0.05 0.07 0.73 -0.74 -0.25 0.00 0.00 175.52 175.38 3gty h HIS 141 N 0.37 0.47 -0.16 4.73 -0.00 -1.54 0.68 115.15 119.70 3gty h HIS 141 Ca 0.17 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.33 3gty h HIS 141 Cb 0.09 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3gty h HIS 141 CO -0.11 0.02 -0.76 0.00 -0.00 0.00 0.00 177.93 177.08 3gty h ARG 142 N 0.26 0.80 -0.00 5.26 3.08 -0.98 -2.79 114.38 120.00 3gty h ARG 142 Ca 0.61 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gty h ARG 142 Cb 1.80 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.98 3gty h ARG 142 CO -0.23 1.25 -0.01 0.00 -1.07 0.00 0.00 179.97 179.90 3gty n MET 143 N -3.94 1.11 -0.09 0.04 0.00 0.60 -2.65 117.12 112.20 3gty n MET 143 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 57.70 57.22 3gty n MET 143 Cb 0.74 -1.49 -0.05 0.00 0.00 0.00 0.00 33.22 32.42 3gty n MET 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gty h ALA 144 N 4.02 0.36 -0.33 3.17 0.00 0.48 0.14 119.26 127.10 3gty h ALA 144 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gty h ALA 144 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gty h ALA 144 CO 0.00 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.92 3gty n GLU 145 N -4.41 2.61 -0.09 0.00 1.02 -1.13 -3.00 120.64 115.63 3gty n GLU 145 Ca -0.04 -1.53 -0.19 0.00 -0.02 0.00 0.00 57.16 55.37 3gty n GLU 145 Cb 0.39 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 3gty n GLU 145 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gty n ALA 146 N 0.43 1.60 0.65 0.62 0.00 -1.03 -4.59 120.51 118.20 3gty n ALA 146 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 53.44 52.80 3gty n ALA 146 Cb 0.59 0.20 0.07 0.00 0.00 0.00 0.00 19.45 20.31 3gty n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gty n ASN 147 N -3.99 1.99 -0.31 0.00 3.02 0.45 -4.49 115.26 111.93 3gty n ASN 147 Ca -0.35 -2.18 0.14 0.00 -0.03 0.00 0.00 54.58 52.16 3gty n ASN 147 Cb 0.71 -0.54 0.32 0.00 -0.61 0.00 0.00 39.78 39.67 3gty n ASN 147 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3gty h ARG 148 N 0.66 0.38 0.00 3.52 2.43 -1.77 -2.44 114.38 117.16 3gty h ARG 148 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gty h ARG 148 Cb 0.83 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3gty h ARG 148 CO 0.10 0.25 0.00 0.00 -1.51 0.00 0.00 179.97 178.81 3gty n ALA 149 N -2.48 1.46 -1.66 2.80 0.00 -1.26 -2.67 120.51 116.69 3gty n ALA 149 Ca 0.23 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 3gty n ALA 149 Cb 0.69 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 19.10 3gty n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gty n PHE 150 N -1.43 2.15 0.94 0.00 3.72 -0.92 -4.63 117.46 117.29 3gty n PHE 150 Ca 0.03 -2.14 0.13 0.00 -0.05 0.00 0.00 57.45 55.42 3gty n PHE 150 Cb 0.09 -0.62 0.50 0.00 -0.94 0.00 0.00 39.48 38.51 3gty n PHE 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gty n ALA 151 N -0.92 2.61 0.27 4.37 0.00 -1.09 -3.57 120.51 122.18 3gty n ALA 151 Ca 0.43 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.84 3gty n ALA 151 Cb 0.93 -1.38 0.12 0.00 0.00 0.00 0.00 19.45 19.12 3gty n ALA 151 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3gty h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.87 -3.05 115.15 112.29 3gty h HIS 152 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gty h HIS 152 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 3gty h HIS 152 CO 0.00 0.00 0.00 0.66 -3.07 0.00 0.00 177.93 175.52 3gty n TYR 153 N -2.69 0.00 -1.72 6.12 4.01 -1.23 -4.90 117.16 116.74 3gty n TYR 153 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 3gty n TYR 153 Cb 0.51 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.59 3gty n TYR 153 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3gty n ARG 154 N -0.95 1.58 0.00 -0.72 0.63 -1.16 -5.06 116.66 110.99 3gty n ARG 154 Ca 0.14 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 3gty n ARG 154 Cb 0.06 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.48 3gty n ARG 154 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99