#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lta n PRO 2 N 0.00 0.90 0.00 0.00 -0.02 -1.26 -4.98 135.00 129.65 1lta n PRO 2 Ca 0.00 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1lta n PRO 2 Cb 0.00 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 1lta n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lta n GLN 3 N -0.53 0.64 -4.10 -0.52 1.13 -1.26 -5.00 117.38 107.74 1lta n GLN 3 Ca 0.12 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.15 1lta n GLN 3 Cb 0.45 -1.68 -0.08 0.00 0.11 0.00 0.00 30.24 29.04 1lta n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lta s THR 4 N -3.00 0.03 0.38 5.09 -4.23 -1.26 -5.02 115.64 107.62 1lta s THR 4 Ca -0.05 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1lta s THR 4 Cb 0.09 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.88 1lta s THR 4 CO 0.84 -0.13 1.95 -0.29 -0.54 0.00 0.00 174.62 176.44 1lta h ILE 5 N 2.57 1.16 -0.04 2.99 2.10 -1.96 -1.11 117.51 123.22 1lta h ILE 5 Ca -0.33 -0.59 -0.21 0.00 1.08 0.00 0.00 64.86 64.82 1lta h ILE 5 Cb 1.24 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1lta h ILE 5 CO 0.49 0.20 -0.85 0.71 -1.08 0.00 0.00 178.15 177.63 1lta h THR 6 N 0.41 1.39 -0.64 2.19 1.35 -1.98 0.32 112.91 115.95 1lta h THR 6 Ca 0.10 -2.31 -0.08 0.00 -0.55 0.00 0.00 66.41 63.56 1lta h THR 6 Cb 0.22 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 1lta h THR 6 CO 0.00 0.69 0.09 -0.08 -0.25 0.00 0.00 175.52 175.98 1lta h GLU 7 N 0.25 1.08 -0.20 4.72 4.81 -1.88 -2.30 114.58 121.06 1lta h GLU 7 Ca -0.06 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1lta h GLU 7 Cb 1.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1lta h GLU 7 CO 0.15 1.00 0.04 1.25 -0.73 0.00 0.00 179.01 180.72 1lta h LEU 8 N 0.99 0.30 -1.53 1.64 6.46 -0.96 -3.11 115.31 119.11 1lta h LEU 8 Ca 0.19 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1lta h LEU 8 Cb 0.46 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1lta h LEU 8 CO 0.02 0.47 -0.07 0.00 -0.62 0.00 0.00 178.44 178.24 1lta h SER 10 N 0.21 0.00 0.85 0.00 0.02 -1.34 -2.87 113.55 110.42 1lta h SER 10 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1lta h SER 10 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1lta h SER 10 CO 0.01 0.00 -0.03 -0.62 -1.14 0.00 0.00 176.83 175.05 1lta n GLU 11 N -3.97 0.12 -4.28 3.45 -0.58 -0.59 -4.87 120.64 109.92 1lta n GLU 11 Ca 0.08 -0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.52 1lta n GLU 11 Cb 0.61 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 1lta n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1lta s TYR 12 N -2.89 2.72 0.42 -0.32 2.02 -1.09 -5.11 117.35 113.11 1lta s TYR 12 Ca 0.18 -0.16 -0.17 0.00 -0.37 0.00 0.00 57.07 56.55 1lta s TYR 12 Cb 0.19 -1.44 -0.09 0.00 -0.40 0.00 0.00 41.96 40.22 1lta s TYR 12 CO 0.52 0.41 0.87 1.03 -1.57 0.00 0.00 175.55 176.81 1lta s ARG 13 N -2.09 4.03 -1.16 -0.62 0.52 -1.26 -4.22 118.95 114.15 1lta s ARG 13 Ca 0.20 0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1lta s ARG 13 Cb -0.11 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1lta s ARG 13 CO 0.12 -0.04 0.27 0.09 0.02 0.00 0.00 175.30 175.76 1lta n ASN 14 N -0.90 -4.67 -4.76 0.23 5.03 -1.26 -4.97 115.26 103.96 1lta n ASN 14 Ca 0.05 -0.13 -0.23 0.00 0.87 0.00 0.00 54.58 55.14 1lta n ASN 14 Cb 0.54 -3.64 -0.06 0.00 -1.02 0.00 0.00 39.78 35.60 1lta n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lta s THR 15 N -2.89 3.07 0.02 3.41 -4.23 -1.26 -0.92 115.64 112.85 1lta s THR 15 Ca 0.13 -1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1lta s THR 15 Cb -0.06 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.79 1lta s THR 15 CO 0.16 -0.17 0.31 -1.10 -0.54 0.00 0.00 174.62 173.29 1lta s GLN 16 N -3.89 0.77 -0.16 3.99 -0.21 -0.42 -4.86 119.66 114.88 1lta s GLN 16 Ca 0.39 -0.39 -0.06 0.00 0.02 0.00 0.00 55.36 55.32 1lta s GLN 16 Cb -0.03 0.34 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 1lta s GLN 16 CO 0.24 -0.24 0.03 0.42 -2.12 0.00 0.00 175.29 173.62 1lta s ILE 17 N -2.12 4.51 -0.12 1.08 -1.09 -1.26 -0.91 121.20 121.29 1lta s ILE 17 Ca -0.08 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1lta s ILE 17 Cb -0.02 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 1lta s ILE 17 CO -0.01 0.49 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.83 1lta s TYR 18 N 0.19 2.98 -0.33 3.97 1.51 -0.03 -4.95 117.35 120.69 1lta s TYR 18 Ca 0.02 -0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 1lta s TYR 18 Cb -0.13 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1lta s TYR 18 CO 0.01 0.12 0.20 0.99 -1.11 0.00 0.00 175.55 175.76 1lta s THR 19 N -0.16 4.96 -0.20 -0.71 2.01 -1.26 -0.85 115.64 119.42 1lta s THR 19 Ca 0.02 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1lta s THR 19 Cb -0.13 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1lta s THR 19 CO 0.03 0.00 -0.23 -0.38 -0.69 0.00 0.00 174.62 173.35 1lta n ILE 20 N 5.05 1.50 -4.03 1.82 2.08 0.34 -5.00 119.36 121.12 1lta n ILE 20 Ca -0.13 -0.02 -0.28 0.00 0.56 0.00 0.00 62.75 62.88 1lta n ILE 20 Cb 0.49 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 1lta n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lta n ASN 21 N -4.43 -0.95 -3.80 4.38 4.05 -0.25 -4.97 115.26 109.29 1lta n ASN 21 Ca -0.27 -1.02 -0.09 0.00 0.45 0.00 0.00 54.58 53.65 1lta n ASN 21 Cb 0.60 -2.92 -0.04 0.00 1.23 0.00 0.00 39.78 38.65 1lta n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lta s ASP 22 N -4.12 -0.22 0.48 1.20 2.15 -1.06 -4.92 116.67 110.18 1lta s ASP 22 Ca 0.17 -0.58 -0.04 0.00 0.43 0.00 0.00 52.55 52.53 1lta s ASP 22 Cb -0.09 0.59 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1lta s ASP 22 CO 0.90 -1.10 0.77 -1.59 -0.17 0.00 0.00 175.17 173.99 1lta s LYS 23 N -3.91 3.43 0.24 4.34 -2.85 -1.26 -1.36 119.74 118.38 1lta s LYS 23 Ca 0.12 0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.87 1lta s LYS 23 Cb -0.01 -2.40 -0.10 0.00 -2.06 0.00 0.00 37.83 33.26 1lta s LYS 23 CO 0.00 -0.23 1.41 0.42 0.10 0.00 0.00 175.35 177.05 1lta s ILE 24 N -2.72 2.75 -0.14 3.79 1.01 -1.26 -4.70 121.20 119.93 1lta s ILE 24 Ca 0.47 0.63 -0.23 0.00 0.00 0.00 0.00 60.65 61.53 1lta s ILE 24 Cb -0.10 -3.41 -0.20 0.00 0.01 0.00 0.00 42.46 38.76 1lta s ILE 24 CO 0.44 0.10 0.56 0.25 0.00 0.00 0.00 174.94 176.28 1lta h LEU 25 N 5.05 0.00 -8.35 2.97 5.85 -0.98 -3.49 115.31 116.35 1lta h LEU 25 Ca -0.46 -0.76 -0.27 0.00 0.84 0.00 0.00 57.88 57.24 1lta h LEU 25 Cb 1.22 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.07 1lta h LEU 25 CO 0.77 0.98 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.19 1lta s SER 26 N -6.18 1.14 -0.06 1.25 1.04 -1.13 -4.97 113.70 104.79 1lta s SER 26 Ca -0.17 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1lta s SER 26 Cb -0.01 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1lta s SER 26 CO 0.56 -0.32 -0.07 -0.47 0.98 0.00 0.00 173.24 173.92 1lta s TYR 27 N -2.52 1.01 -0.03 5.02 6.14 -1.26 -1.25 117.35 124.45 1lta s TYR 27 Ca 0.03 -0.34 0.05 0.00 0.64 0.00 0.00 57.07 57.44 1lta s TYR 27 Cb -0.02 -0.84 -0.01 0.00 0.42 0.00 0.00 41.96 41.51 1lta s TYR 27 CO -0.02 -0.25 -0.19 0.99 0.64 0.00 0.00 175.55 176.72 1lta s THR 28 N 0.98 1.54 -0.05 4.34 2.01 -0.53 -4.99 115.64 118.94 1lta s THR 28 Ca -0.10 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1lta s THR 28 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1lta s THR 28 CO 0.00 0.44 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.54 1lta s GLU 29 N -0.16 1.57 -0.04 4.92 2.12 -1.26 -1.00 118.70 124.84 1lta s GLU 29 Ca 0.00 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 54.96 1lta s GLU 29 Cb -0.10 -1.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.94 1lta s GLU 29 CO 0.01 0.09 -0.24 0.45 -0.54 0.00 0.00 175.26 175.03 1lta s SER 30 N 0.43 2.90 -0.12 -1.70 0.15 -0.38 -5.00 113.70 109.98 1lta s SER 30 Ca -0.10 -0.47 0.15 0.00 0.70 0.00 0.00 55.95 56.23 1lta s SER 30 Cb -0.13 -0.65 0.39 0.00 -1.71 0.00 0.00 66.02 63.92 1lta s SER 30 CO 0.03 0.25 1.30 1.15 1.20 0.00 0.00 173.24 177.17 1lta n MET 31 N 2.82 2.53 -2.39 5.44 0.00 -1.26 -3.08 117.12 121.18 1lta n MET 31 Ca -0.17 -2.54 -0.40 0.00 0.00 0.00 0.00 57.70 54.59 1lta n MET 31 Cb 0.52 -1.60 -0.04 0.00 0.00 0.00 0.00 33.22 32.10 1lta n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lta s ALA 32 N -2.40 3.39 0.13 3.17 0.00 -1.26 -4.85 121.76 119.94 1lta s ALA 32 Ca 0.33 0.97 -0.32 0.00 0.00 0.00 0.00 51.96 52.94 1lta s ALA 32 Cb 0.26 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 1lta s ALA 32 CO 0.08 -0.29 1.80 0.41 0.00 0.00 0.00 175.76 177.76 1lta n GLY 33 N 1.03 1.59 2.73 0.00 0.00 -1.26 -1.09 105.19 108.19 1lta n GLY 33 Ca -0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1lta n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lta n LYS 34 N 5.19 -0.20 -1.93 1.61 5.02 -1.26 -4.83 118.16 121.75 1lta n LYS 34 Ca 0.18 0.05 -0.05 0.00 -2.02 0.00 0.00 58.31 56.47 1lta n LYS 34 Cb 0.36 -3.16 0.06 0.00 -0.02 0.00 0.00 35.03 32.27 1lta n LYS 34 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lta n ARG 35 N -2.07 1.89 -2.71 1.97 3.00 -0.25 -4.96 116.66 113.53 1lta n ARG 35 Ca 0.00 -3.35 -0.42 0.00 -0.00 0.00 0.00 57.85 54.07 1lta n ARG 35 Cb 0.05 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.01 1lta n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lta s GLU 36 N -2.87 3.58 0.27 -0.14 8.01 -1.13 -4.20 118.70 122.22 1lta s GLU 36 Ca 0.37 -1.35 -0.06 0.00 0.01 0.00 0.00 54.97 53.94 1lta s GLU 36 Cb 0.37 -5.15 -0.01 0.00 -4.31 0.00 0.00 34.13 25.03 1lta s GLU 36 CO -0.05 -2.03 0.37 0.00 0.01 0.00 0.00 175.26 173.56 1lta s MET 37 N 4.07 1.57 -0.03 1.61 0.23 -1.18 -4.31 119.30 121.26 1lta s MET 37 Ca 0.40 -1.54 0.05 0.00 -1.03 0.00 0.00 55.69 53.58 1lta s MET 37 Cb -0.02 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1lta s MET 37 CO -0.09 -0.62 -0.19 0.08 -2.03 0.00 0.00 175.02 172.17 1lta s VAL 38 N -3.75 1.54 -0.10 5.16 1.01 -1.25 -1.25 120.40 121.75 1lta s VAL 38 Ca 0.30 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1lta s VAL 38 Cb 0.02 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1lta s VAL 38 CO 0.14 0.44 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 1lta s ILE 39 N -0.18 1.65 0.08 2.22 1.01 -0.17 -1.79 121.20 124.02 1lta s ILE 39 Ca 0.01 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.98 1lta s ILE 39 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1lta s ILE 39 CO 0.01 0.47 -0.17 0.27 0.00 0.00 0.00 174.94 175.52 1lta s ILE 40 N 0.75 2.86 0.28 2.92 -4.36 -0.29 -1.45 121.20 121.90 1lta s ILE 40 Ca -0.11 -1.34 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 1lta s ILE 40 Cb -0.16 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.23 1lta s ILE 40 CO 0.02 0.21 -0.06 0.42 0.24 0.00 0.00 174.94 175.77 1lta s THR 41 N -1.05 1.62 0.25 8.37 -4.23 -0.38 -1.55 115.64 118.68 1lta s THR 41 Ca 0.17 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1lta s THR 41 Cb -0.11 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 1lta s THR 41 CO 0.08 -0.30 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.32 1lta s PHE 42 N -3.03 2.37 0.27 3.99 0.08 -0.58 -0.30 117.98 120.78 1lta s PHE 42 Ca 0.29 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 1lta s PHE 42 Cb 0.04 -1.08 0.51 0.00 -0.57 0.00 0.00 43.02 41.92 1lta s PHE 42 CO 0.12 0.63 1.81 -0.22 -0.10 0.00 0.00 175.22 177.47 1lta h LYS 43 N 2.52 0.85 0.00 0.44 3.64 -1.89 -1.45 116.57 120.67 1lta h LYS 43 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1lta h LYS 43 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1lta h LYS 43 CO 0.56 0.56 0.00 -1.13 -2.27 0.00 0.00 179.45 177.17 1lta n SER 44 N -4.70 0.00 0.00 4.20 3.41 -1.26 -4.83 113.62 110.44 1lta n SER 44 Ca 0.17 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1lta n SER 44 Cb 0.36 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1lta n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lta n GLY 45 N -1.01 2.28 3.77 5.00 0.00 -0.55 -5.07 105.19 109.61 1lta n GLY 45 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1lta n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lta s GLU 46 N -1.00 4.21 -0.07 1.61 2.02 -1.26 -4.82 118.70 119.40 1lta s GLU 46 Ca 0.00 1.95 0.04 0.00 0.02 0.00 0.00 54.97 56.98 1lta s GLU 46 Cb 0.00 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1lta s GLU 46 CO 0.00 -0.22 -0.18 0.99 0.02 0.00 0.00 175.26 175.87 1lta s THR 47 N -1.29 1.57 0.15 3.63 2.01 -1.26 -1.53 115.64 118.91 1lta s THR 47 Ca 0.53 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1lta s THR 47 Cb -0.34 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1lta s THR 47 CO 0.43 0.45 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.32 1lta s PHE 48 N 0.32 1.43 0.17 4.92 0.08 -0.59 -4.08 117.98 120.23 1lta s PHE 48 Ca -0.12 -0.63 0.07 0.00 0.12 0.00 0.00 56.93 56.37 1lta s PHE 48 Cb -0.15 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 1lta s PHE 48 CO 0.05 0.18 -0.14 1.14 -0.10 0.00 0.00 175.22 176.34 1lta s GLN 49 N -3.28 1.22 -0.25 0.44 -2.07 -0.90 -1.14 119.66 113.68 1lta s GLN 49 Ca 0.15 -1.48 -0.08 0.00 -1.82 0.00 0.00 55.36 52.13 1lta s GLN 49 Cb -0.01 -1.03 -0.03 0.00 -1.09 0.00 0.00 33.01 30.84 1lta s GLN 49 CO 0.03 0.18 0.09 0.08 -1.32 0.00 0.00 175.29 174.35 1lta s VAL 50 N -2.74 4.56 0.72 3.63 1.01 -0.74 -1.98 120.40 124.86 1lta s VAL 50 Ca 0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1lta s VAL 50 Cb -0.02 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1lta s VAL 50 CO 0.05 0.33 1.12 -1.61 0.00 0.00 0.00 175.10 174.99 1lta s GLU 51 N 1.51 2.44 0.32 2.72 2.02 -1.26 -3.83 118.70 122.62 1lta s GLU 51 Ca 0.06 1.38 -0.29 0.00 0.02 0.00 0.00 54.97 56.14 1lta s GLU 51 Cb -0.15 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.06 1lta s GLU 51 CO 0.05 -1.53 1.55 0.08 0.02 0.00 0.00 175.26 175.43 1lta s VAL 52 N -2.48 2.09 -0.07 2.63 1.01 -1.26 -4.89 120.40 117.43 1lta s VAL 52 Ca 0.66 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1lta s VAL 52 Cb -0.21 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 1lta s VAL 52 CO 0.47 0.01 2.05 -2.65 0.00 0.00 0.00 175.10 174.99 1lta n PRO 53 N 1.54 2.46 0.00 2.72 -0.02 -1.26 -4.95 135.00 135.49 1lta n PRO 53 Ca 0.05 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1lta n PRO 53 Cb 0.38 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 1lta n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lta n GLY 54 N 4.99 6.16 0.21 -1.23 0.00 -1.26 -5.05 105.19 109.01 1lta n GLY 54 Ca 0.24 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 1lta n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lta h SER 55 N 0.00 0.31 0.58 1.61 4.64 -2.03 -2.92 113.55 115.74 1lta h SER 55 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1lta h SER 55 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1lta h SER 55 CO 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 1lta n GLN 56 N -4.08 0.16 -3.51 4.77 0.00 -1.26 -4.68 117.38 108.78 1lta n GLN 56 Ca -0.01 0.44 -0.37 0.00 0.00 0.00 0.00 57.00 57.05 1lta n GLN 56 Cb 0.43 -1.83 -0.06 0.00 0.00 0.00 0.00 30.24 28.78 1lta n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lta s HIS 57 N -3.31 3.59 0.83 2.61 3.76 -1.10 -5.07 115.29 116.59 1lta s HIS 57 Ca 0.03 0.80 -0.10 0.00 -0.15 0.00 0.00 55.06 55.64 1lta s HIS 57 Cb 0.09 -2.33 0.13 0.00 1.11 0.00 0.00 32.58 31.58 1lta s HIS 57 CO 0.34 0.43 1.16 0.96 -0.85 0.00 0.00 174.74 176.78 1lta s ILE 58 N -0.23 2.10 0.27 0.60 -4.36 -1.26 -4.92 121.20 113.39 1lta s ILE 58 Ca 0.21 -0.17 0.19 0.00 -0.26 0.00 0.00 60.65 60.61 1lta s ILE 58 Cb -0.15 -2.92 0.15 0.00 1.25 0.00 0.00 42.46 40.79 1lta s ILE 58 CO 0.09 0.00 1.82 0.44 0.24 0.00 0.00 174.94 177.52 1lta h ASP 59 N -1.08 0.00 0.22 4.36 3.32 -1.98 -2.05 116.42 119.21 1lta h ASP 59 Ca -0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1lta h ASP 59 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1lta h ASP 59 CO 0.49 0.33 -0.11 0.77 -1.72 0.00 0.00 179.24 179.00 1lta h SER 60 N 0.00 0.00 1.67 6.45 4.64 -2.04 -2.09 113.55 122.17 1lta h SER 60 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1lta h SER 60 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1lta h SER 60 CO 0.04 0.11 -0.05 1.56 -0.87 0.00 0.00 176.83 177.62 1lta h GLN 61 N 0.00 0.00 -0.65 4.77 4.20 -1.75 -3.32 115.11 118.36 1lta h GLN 61 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1lta h GLN 61 Cb 0.24 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1lta h GLN 61 CO 0.01 0.05 0.36 0.87 -0.67 0.00 0.00 178.83 179.46 1lta h LYS 62 N 0.00 0.66 -0.25 1.46 1.79 -1.42 0.67 116.57 119.47 1lta h LYS 62 Ca -0.00 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 1lta h LYS 62 Cb 0.89 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1lta h LYS 62 CO 0.01 0.43 -0.50 0.87 -1.08 0.00 0.00 179.45 179.18 1lta h LYS 63 N 0.68 0.71 -0.38 3.15 1.57 -1.76 -3.15 116.57 117.38 1lta h LYS 63 Ca 0.29 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1lta h LYS 63 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1lta h LYS 63 CO -0.18 1.04 0.14 0.00 -0.57 0.00 0.00 179.45 179.88 1lta h ALA 64 N 0.88 1.54 -0.59 3.86 0.00 -1.40 -1.36 119.26 122.20 1lta h ALA 64 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1lta h ALA 64 Cb 1.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1lta h ALA 64 CO 0.10 0.36 -0.03 0.82 0.00 0.00 0.00 179.25 180.50 1lta h ILE 65 N 0.53 1.27 -0.27 0.00 2.04 -0.87 -0.96 117.51 119.24 1lta h ILE 65 Ca 0.13 -1.19 -0.17 0.00 1.00 0.00 0.00 64.86 64.63 1lta h ILE 65 Cb 0.13 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1lta h ILE 65 CO -0.01 0.43 -0.51 -0.33 0.00 0.00 0.00 178.15 177.73 1lta h GLU 66 N 0.96 0.77 -0.61 2.37 4.39 -1.35 -2.60 114.58 118.50 1lta h GLU 66 Ca 0.16 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1lta h GLU 66 Cb 0.60 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1lta h GLU 66 CO 0.04 1.09 0.29 -0.09 -1.16 0.00 0.00 179.01 179.18 1lta h ARG 67 N 0.60 0.89 -0.37 2.33 2.43 -1.01 -1.45 114.38 117.81 1lta h ARG 67 Ca 0.02 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1lta h ARG 67 Cb 1.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1lta h ARG 67 CO 0.11 0.72 0.18 1.98 -1.51 0.00 0.00 179.97 181.45 1lta h MET 68 N 0.84 0.52 -0.48 0.20 4.05 -1.06 0.26 114.93 119.26 1lta h MET 68 Ca 0.21 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1lta h MET 68 Cb 0.13 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1lta h MET 68 CO -0.03 0.45 0.29 0.87 0.23 0.00 0.00 176.91 178.73 1lta h LYS 69 N 0.46 0.64 -0.52 0.39 1.57 -1.36 -0.70 116.57 117.05 1lta h LYS 69 Ca 0.13 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1lta h LYS 69 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1lta h LYS 69 CO -0.02 0.45 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.80 1lta h ASP 70 N 0.65 0.95 -0.67 0.86 5.19 0.01 -2.41 116.42 121.01 1lta h ASP 70 Ca 0.17 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1lta h ASP 70 Cb -0.03 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 1lta h ASP 70 CO -0.03 1.06 0.20 0.74 -3.12 0.00 0.00 179.24 178.09 1lta h THR 71 N 0.82 1.25 -0.17 0.35 2.02 0.44 -2.63 112.91 115.00 1lta h THR 71 Ca 0.14 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 1lta h THR 71 Cb 0.61 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1lta h THR 71 CO 0.04 0.35 -0.54 -0.07 0.37 0.00 0.00 175.52 175.67 1lta h LEU 72 N 1.03 0.53 -0.11 2.58 3.38 -1.05 0.04 115.31 121.72 1lta h LEU 72 Ca 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1lta h LEU 72 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1lta h LEU 72 CO -0.00 0.97 0.05 -0.09 0.09 0.00 0.00 178.44 179.45 1lta h ARG 73 N 0.37 0.16 -0.00 1.13 2.43 -1.27 -2.25 114.38 114.95 1lta h ARG 73 Ca 0.01 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1lta h ARG 73 Cb 1.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1lta h ARG 73 CO 0.10 0.24 -0.81 0.97 -1.51 0.00 0.00 179.97 178.95 1lta h ILE 74 N 0.04 1.53 -0.45 1.20 6.09 -1.35 -1.88 117.51 122.69 1lta h ILE 74 Ca 0.04 -2.64 -0.00 0.00 -1.37 0.00 0.00 64.86 60.89 1lta h ILE 74 Cb 0.13 2.44 -0.02 0.00 0.47 0.00 0.00 36.82 39.84 1lta h ILE 74 CO -0.00 0.76 0.28 0.74 -3.07 0.00 0.00 178.15 176.86 1lta h THR 75 N 0.05 1.13 0.23 2.19 2.02 -1.03 -0.74 112.91 116.76 1lta h THR 75 Ca -0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1lta h THR 75 Cb 1.42 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1lta h THR 75 CO 0.11 0.13 -0.15 0.22 0.37 0.00 0.00 175.52 176.20 1lta h TYR 76 N 0.61 -0.40 -0.02 3.16 3.20 -1.26 -1.58 116.97 120.68 1lta h TYR 76 Ca 0.16 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1lta h TYR 76 Cb -0.03 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1lta h TYR 76 CO -0.04 -0.24 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.89 1lta h LEU 77 N -0.38 0.04 -0.48 2.82 3.38 -1.21 -2.35 115.31 117.12 1lta h LEU 77 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lta h LEU 77 Cb 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1lta h LEU 77 CO 0.01 0.33 -0.13 0.35 0.09 0.00 0.00 178.44 179.09 1lta n THR 78 N -4.19 0.00 -3.65 0.22 -2.24 -0.30 -4.92 114.28 99.20 1lta n THR 78 Ca -0.02 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 1lta n THR 78 Cb 0.34 0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1lta n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lta n GLU 79 N -0.59 -6.74 -2.93 -0.78 1.02 -0.79 -4.97 120.64 104.86 1lta n GLU 79 Ca 0.15 0.75 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 1lta n GLU 79 Cb 0.31 -5.70 -0.06 0.00 -0.02 0.00 0.00 31.44 25.97 1lta n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lta s THR 80 N -3.37 4.35 0.09 2.62 2.01 -0.66 -4.88 115.64 115.79 1lta s THR 80 Ca 0.41 1.65 -0.28 0.00 0.31 0.00 0.00 61.69 63.77 1lta s THR 80 Cb -0.19 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1lta s THR 80 CO 0.76 0.30 0.90 -0.54 -0.69 0.00 0.00 174.62 175.36 1lta s LYS 81 N -1.70 4.63 -0.06 4.92 1.02 -1.26 -4.36 119.74 122.93 1lta s LYS 81 Ca 0.43 1.33 -0.17 0.00 0.02 0.00 0.00 55.97 57.58 1lta s LYS 81 Cb -0.20 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1lta s LYS 81 CO 0.24 0.23 0.45 0.42 -0.92 0.00 0.00 175.35 175.77 1lta s ILE 82 N 0.00 5.10 0.00 2.17 1.01 -0.46 -4.22 121.20 124.81 1lta s ILE 82 Ca 0.44 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1lta s ILE 82 Cb -0.22 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1lta s ILE 82 CO 0.28 0.44 0.00 -0.67 0.00 0.00 0.00 174.94 174.98 1lta n ASP 83 N 2.87 0.00 -4.42 3.58 2.03 0.02 -1.09 116.55 119.55 1lta n ASP 83 Ca -0.10 0.17 -0.23 0.00 0.52 0.00 0.00 54.79 55.15 1lta n ASP 83 Cb 0.52 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 1lta n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lta s LYS 84 N -0.41 1.53 -0.03 -0.67 1.02 -1.21 -0.50 119.74 119.47 1lta s LYS 84 Ca 0.00 -1.67 0.04 0.00 0.02 0.00 0.00 55.97 54.36 1lta s LYS 84 Cb 0.00 -1.56 -0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1lta s LYS 84 CO 0.00 0.29 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.07 1lta s LEU 85 N -3.30 1.90 -0.23 3.17 1.43 -0.03 -1.84 118.68 119.78 1lta s LEU 85 Ca 0.26 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1lta s LEU 85 Cb -0.04 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 1lta s LEU 85 CO 0.12 0.13 0.13 0.00 0.23 0.00 0.00 176.35 176.96 1lta s VAL 87 N 0.93 1.22 -0.29 0.00 -7.23 -0.09 -0.93 120.40 114.01 1lta s VAL 87 Ca 0.07 -1.38 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 1lta s VAL 87 Cb -0.13 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.64 1lta s VAL 87 CO 0.03 -0.22 0.96 0.26 -0.31 0.00 0.00 175.10 175.82 1lta s TRP 88 N -1.33 3.22 -2.27 2.82 0.51 0.71 -1.30 118.94 121.30 1lta s TRP 88 Ca 0.00 1.12 0.20 0.00 -2.12 0.00 0.00 56.10 55.30 1lta s TRP 88 Cb -0.10 -3.41 0.65 0.00 -0.81 0.00 0.00 33.47 29.81 1lta s TRP 88 CO 0.03 -0.62 1.49 0.27 -0.51 0.00 0.00 176.95 177.61 1lta n ASN 89 N 6.48 1.96 -1.53 2.95 0.23 -0.09 -1.64 115.26 123.62 1lta n ASN 89 Ca 0.09 -1.79 -0.03 0.00 -0.53 0.00 0.00 54.58 52.32 1lta n ASN 89 Cb 0.47 -0.15 0.20 0.00 -2.08 0.00 0.00 39.78 38.23 1lta n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lta n ASN 90 N 0.53 3.81 -3.88 0.53 6.94 -1.26 -4.91 115.26 117.02 1lta n ASN 90 Ca 0.16 -2.75 -0.11 0.00 -0.02 0.00 0.00 54.58 51.86 1lta n ASN 90 Cb 0.37 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 37.03 1lta n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1lta s LYS 91 N -2.10 0.39 -0.10 -3.83 2.47 -1.25 -5.08 119.74 110.24 1lta s LYS 91 Ca 0.35 -0.33 0.03 0.00 -1.56 0.00 0.00 55.97 54.45 1lta s LYS 91 Cb 0.28 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1lta s LYS 91 CO 0.09 -0.08 -0.18 0.99 0.16 0.00 0.00 175.35 176.33 1lta s THR 92 N -1.13 1.64 0.94 3.43 2.01 -1.26 -2.47 115.64 118.80 1lta s THR 92 Ca -0.12 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1lta s THR 92 Cb -0.07 -1.46 0.08 0.00 0.01 0.00 0.00 72.50 71.07 1lta s THR 92 CO 0.01 0.47 0.70 -0.81 -0.69 0.00 0.00 174.62 174.29 1lta n PRO 93 N 3.88 -0.38 -1.43 4.92 -0.04 -1.26 -5.06 135.00 135.62 1lta n PRO 93 Ca -0.20 -0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 62.82 1lta n PRO 93 Cb 0.52 -2.06 0.05 0.00 -0.04 0.00 0.00 33.50 31.97 1lta n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lta n ASN 94 N -2.50 -0.81 -4.50 3.54 3.02 -1.03 -4.56 115.26 108.41 1lta n ASN 94 Ca 0.09 0.70 -0.34 0.00 -0.03 0.00 0.00 54.58 55.00 1lta n ASN 94 Cb 0.53 -1.22 -0.12 0.00 -0.61 0.00 0.00 39.78 38.36 1lta n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lta s SER 95 N -1.28 4.88 -0.01 6.41 0.15 -0.65 -2.12 113.70 121.08 1lta s SER 95 Ca 0.69 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.91 1lta s SER 95 Cb -0.41 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1lta s SER 95 CO 0.54 0.14 1.21 -0.63 1.20 0.00 0.00 173.24 175.70 1lta s ILE 96 N 0.54 4.15 -0.18 6.45 1.01 -0.84 -0.21 121.20 132.13 1lta s ILE 96 Ca -0.02 1.51 0.09 0.00 0.00 0.00 0.00 60.65 62.23 1lta s ILE 96 Cb -0.14 -3.97 -0.17 0.00 0.01 0.00 0.00 42.46 38.19 1lta s ILE 96 CO 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 174.94 174.95 1lta n ALA 97 N 4.79 1.58 -3.45 9.38 0.00 -0.10 -4.87 120.51 127.84 1lta n ALA 97 Ca 0.10 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1lta n ALA 97 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1lta n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lta s ALA 98 N -2.40 -1.65 0.07 0.00 0.00 -0.95 -4.96 121.76 111.87 1lta s ALA 98 Ca -0.17 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1lta s ALA 98 Cb 0.06 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1lta s ALA 98 CO 0.58 -0.67 -0.08 0.42 0.00 0.00 0.00 175.76 176.01 1lta s ILE 99 N -3.12 0.69 -0.05 0.00 1.09 -1.26 -0.72 121.20 117.83 1lta s ILE 99 Ca -0.02 -1.51 0.02 0.00 -1.10 0.00 0.00 60.65 58.04 1lta s ILE 99 Cb -0.01 -1.16 0.02 0.00 -1.06 0.00 0.00 42.46 40.25 1lta s ILE 99 CO -0.07 -0.59 -0.08 -0.55 -0.10 0.00 0.00 174.94 173.54 1lta s SER 100 N -2.29 1.30 0.10 3.58 0.15 -0.77 -5.00 113.70 110.77 1lta s SER 100 Ca 0.01 -0.20 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1lta s SER 100 Cb -0.03 -0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 1lta s SER 100 CO -0.01 -0.00 -0.22 -0.04 1.20 0.00 0.00 173.24 174.17 1lta s MET 101 N 0.71 1.20 -0.07 5.44 -1.94 -1.26 -0.80 119.30 122.59 1lta s MET 101 Ca -0.12 -1.16 -0.04 0.00 -1.71 0.00 0.00 55.69 52.66 1lta s MET 101 Cb -0.14 -1.48 0.03 0.00 2.01 0.00 0.00 34.83 35.25 1lta s MET 101 CO 0.02 0.35 0.16 0.21 -0.01 0.00 0.00 175.02 175.74 1lta s LYS 102 N -1.83 0.12 0.00 2.03 2.20 -1.26 -4.88 119.74 116.12 1lta s LYS 102 Ca 0.08 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1lta s LYS 102 Cb -0.10 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1lta s LYS 102 CO 0.04 -0.13 0.00 0.09 -0.36 0.00 0.00 175.35 174.99