#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lts n PRO 2 N 0.00 0.50 -0.00 0.00 -0.04 -1.26 -4.97 135.00 129.23 1lts n PRO 2 Ca 0.00 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1lts n PRO 2 Cb 0.00 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1lts n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1lts n GLN 3 N -1.67 1.13 -4.18 0.54 1.13 -1.26 -4.95 117.38 108.12 1lts n GLN 3 Ca 0.13 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.99 1lts n GLN 3 Cb 0.49 -1.29 -0.10 0.00 0.11 0.00 0.00 30.24 29.45 1lts n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lts s THR 4 N -2.79 0.04 0.32 5.09 -4.23 -1.26 -5.04 115.64 107.77 1lts s THR 4 Ca -0.01 -1.96 0.15 0.00 -1.18 0.00 0.00 61.69 58.69 1lts s THR 4 Cb 0.10 -2.31 0.11 0.00 1.34 0.00 0.00 72.50 71.74 1lts s THR 4 CO 0.62 -0.19 1.81 -0.29 -0.54 0.00 0.00 174.62 176.03 1lts h ILE 5 N 2.72 1.12 -0.15 2.99 2.10 -1.96 -0.92 117.51 123.41 1lts h ILE 5 Ca -0.36 -1.35 -0.20 0.00 1.08 0.00 0.00 64.86 64.04 1lts h ILE 5 Cb 1.23 1.76 0.01 0.00 -1.09 0.00 0.00 36.82 38.72 1lts h ILE 5 CO 0.55 0.37 -0.69 0.74 -1.08 0.00 0.00 178.15 178.04 1lts h THR 6 N 0.00 1.30 -0.03 2.19 2.02 -1.98 -0.92 112.91 115.49 1lts h THR 6 Ca -0.00 -1.91 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 1lts h THR 6 Cb 0.73 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1lts h THR 6 CO 0.05 0.60 0.01 -0.08 0.37 0.00 0.00 175.52 176.47 1lts h GLU 7 N 0.44 0.05 -0.58 6.66 4.81 -1.92 -0.84 114.58 123.19 1lts h GLU 7 Ca -0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1lts h GLU 7 Cb 1.32 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1lts h GLU 7 CO 0.14 0.19 0.36 1.25 -0.73 0.00 0.00 179.01 180.23 1lts h LEU 8 N -0.11 0.60 -1.06 1.64 6.46 -1.16 -2.73 115.31 118.94 1lts h LEU 8 Ca 0.01 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.68 1lts h LEU 8 Cb 0.16 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1lts h LEU 8 CO -0.00 0.42 -0.30 0.00 -0.62 0.00 0.00 178.44 177.94 1lts h SER 10 N 0.26 0.00 0.17 0.00 0.02 -0.84 -2.49 113.55 110.66 1lts h SER 10 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1lts h SER 10 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1lts h SER 10 CO 0.05 0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 175.21 1lts n GLU 11 N -3.63 0.34 -4.51 3.45 1.02 -0.85 -4.77 120.64 111.70 1lts n GLU 11 Ca -0.02 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 1lts n GLU 11 Cb 0.21 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 1lts n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lts s TYR 12 N -2.33 2.32 0.29 -0.32 1.51 -0.94 -5.11 117.35 112.77 1lts s TYR 12 Ca 0.19 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.63 1lts s TYR 12 Cb 0.11 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1lts s TYR 12 CO 0.22 0.29 0.87 1.03 -1.11 0.00 0.00 175.55 176.84 1lts s ARG 13 N -1.87 4.47 -1.07 -0.62 0.52 -1.26 -4.18 118.95 114.93 1lts s ARG 13 Ca 0.14 1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 56.48 1lts s ARG 13 Cb -0.10 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1lts s ARG 13 CO 0.05 0.32 0.42 0.09 0.02 0.00 0.00 175.30 176.20 1lts n ASN 14 N 0.62 -4.70 -4.50 0.23 5.03 -1.26 -4.98 115.26 105.70 1lts n ASN 14 Ca 0.00 -0.20 -0.24 0.00 0.87 0.00 0.00 54.58 55.02 1lts n ASN 14 Cb 0.50 -3.56 -0.10 0.00 -1.02 0.00 0.00 39.78 35.60 1lts n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lts s THR 15 N -2.98 2.60 -0.09 3.41 -4.23 -1.26 -0.86 115.64 112.23 1lts s THR 15 Ca 0.21 -2.33 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1lts s THR 15 Cb -0.09 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1lts s THR 15 CO 0.26 -0.38 0.34 0.00 -0.54 0.00 0.00 174.62 174.29 1lts s GLN 16 N -3.54 0.49 0.09 3.99 -2.07 -0.35 -4.84 119.66 113.43 1lts s GLN 16 Ca 0.30 0.27 -0.28 0.00 -1.82 0.00 0.00 55.36 53.84 1lts s GLN 16 Cb -0.05 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 32.04 1lts s GLN 16 CO 0.16 -0.09 0.87 0.42 -1.32 0.00 0.00 175.29 175.33 1lts s ILE 17 N -0.29 4.57 -0.16 3.63 -1.09 -1.26 -1.41 121.20 125.19 1lts s ILE 17 Ca -0.04 1.87 -0.02 0.00 -2.23 0.00 0.00 60.65 60.23 1lts s ILE 17 Cb -0.03 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1lts s ILE 17 CO 0.02 0.35 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.69 1lts s TYR 18 N -0.12 2.91 -0.26 3.97 1.51 0.33 -4.95 117.35 120.75 1lts s TYR 18 Ca 0.43 -0.64 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 1lts s TYR 18 Cb -0.22 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1lts s TYR 18 CO 0.27 -0.27 0.67 0.99 -1.11 0.00 0.00 175.55 176.10 1lts s THR 19 N 0.68 4.95 -0.21 -0.71 2.01 -1.26 -0.75 115.64 120.34 1lts s THR 19 Ca -0.04 1.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.97 1lts s THR 19 Cb -0.15 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1lts s THR 19 CO 0.02 -0.02 -0.25 -0.38 -0.69 0.00 0.00 174.62 173.30 1lts n ILE 20 N 5.24 1.50 -4.13 1.82 2.08 0.69 -4.99 119.36 121.58 1lts n ILE 20 Ca 0.01 -0.05 -0.36 0.00 0.56 0.00 0.00 62.75 62.91 1lts n ILE 20 Cb 0.49 -2.16 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 1lts n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lts n ASN 21 N -4.41 -1.63 -3.45 4.38 5.15 -0.01 -4.94 115.26 110.35 1lts n ASN 21 Ca -0.29 -1.23 -0.11 0.00 -0.60 0.00 0.00 54.58 52.35 1lts n ASN 21 Cb 0.62 -1.97 -0.02 0.00 -0.53 0.00 0.00 39.78 37.88 1lts n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lts s ASP 22 N -3.99 -0.51 0.63 1.20 2.15 -0.95 -4.93 116.67 110.26 1lts s ASP 22 Ca 0.22 -0.01 -0.09 0.00 0.43 0.00 0.00 52.55 53.11 1lts s ASP 22 Cb -0.12 0.54 -0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1lts s ASP 22 CO 0.96 -0.88 0.99 -1.59 -0.17 0.00 0.00 175.17 174.49 1lts s LYS 23 N -3.58 3.11 0.17 4.34 -2.85 -1.26 -1.10 119.74 118.58 1lts s LYS 23 Ca 0.02 0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 55.05 1lts s LYS 23 Cb -0.01 -2.14 -0.08 0.00 -2.06 0.00 0.00 37.83 33.54 1lts s LYS 23 CO -0.12 -0.75 1.17 0.42 0.10 0.00 0.00 175.35 176.18 1lts s ILE 24 N -3.15 3.67 -0.15 3.79 1.01 -1.26 -4.74 121.20 120.37 1lts s ILE 24 Ca 0.55 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 62.47 1lts s ILE 24 Cb -0.11 -3.89 -0.23 0.00 0.01 0.00 0.00 42.46 38.23 1lts s ILE 24 CO 0.50 0.22 0.31 0.25 0.00 0.00 0.00 174.94 176.22 1lts h LEU 25 N 5.33 0.26 -8.34 2.97 5.85 -1.22 -3.48 115.31 116.68 1lts h LEU 25 Ca -0.44 -0.78 -0.27 0.00 0.84 0.00 0.00 57.88 57.23 1lts h LEU 25 Cb 1.21 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.98 1lts h LEU 25 CO 0.75 1.72 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.90 1lts s SER 26 N -6.98 1.12 -0.06 1.25 1.04 -1.13 -4.97 113.70 103.97 1lts s SER 26 Ca -0.25 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1lts s SER 26 Cb 0.06 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1lts s SER 26 CO 0.70 -0.30 -0.09 -0.47 0.98 0.00 0.00 173.24 174.06 1lts s TYR 27 N -2.39 1.18 -0.03 5.02 6.14 -1.26 -2.54 117.35 123.47 1lts s TYR 27 Ca 0.01 -0.43 0.05 0.00 0.64 0.00 0.00 57.07 57.35 1lts s TYR 27 Cb -0.03 -0.93 -0.01 0.00 0.42 0.00 0.00 41.96 41.41 1lts s TYR 27 CO -0.01 -0.27 -0.17 0.99 0.64 0.00 0.00 175.55 176.73 1lts s THR 28 N 0.89 1.39 -0.05 4.34 2.01 0.29 -5.00 115.64 119.52 1lts s THR 28 Ca -0.11 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1lts s THR 28 Cb -0.15 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.20 1lts s THR 28 CO 0.01 0.40 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.57 1lts s GLU 29 N -0.18 1.05 -0.03 4.92 2.12 -1.26 -0.69 118.70 124.63 1lts s GLU 29 Ca 0.01 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1lts s GLU 29 Cb -0.09 -0.97 -0.02 0.00 0.26 0.00 0.00 34.13 33.31 1lts s GLU 29 CO 0.01 -0.04 -0.25 0.45 -0.54 0.00 0.00 175.26 174.88 1lts s SER 30 N 0.81 3.08 0.00 -1.70 0.15 -0.25 -4.97 113.70 110.81 1lts s SER 30 Ca -0.12 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1lts s SER 30 Cb -0.15 -0.49 0.08 0.00 -1.71 0.00 0.00 66.02 63.75 1lts s SER 30 CO 0.01 0.30 0.99 1.15 1.20 0.00 0.00 173.24 176.89 1lts n MET 31 N 2.58 2.31 -1.89 5.44 0.00 -1.26 -2.93 117.12 121.37 1lts n MET 31 Ca -0.16 -1.48 -0.41 0.00 0.00 0.00 0.00 57.70 55.64 1lts n MET 31 Cb 0.51 -1.08 -0.01 0.00 0.00 0.00 0.00 33.22 32.65 1lts n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lts s ALA 32 N -0.86 3.60 -0.01 3.17 0.00 -1.26 -4.86 121.76 121.53 1lts s ALA 32 Ca 0.06 1.47 -0.37 0.00 0.00 0.00 0.00 51.96 53.13 1lts s ALA 32 Cb 0.03 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 1lts s ALA 32 CO 0.04 -0.91 1.57 0.41 0.00 0.00 0.00 175.76 176.87 1lts n GLY 33 N 1.08 0.85 2.94 0.00 0.00 -1.26 -1.06 105.19 107.75 1lts n GLY 33 Ca 0.03 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1lts n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lts n LYS 34 N 3.99 -0.42 -2.61 1.61 5.02 -1.26 -4.84 118.16 119.66 1lts n LYS 34 Ca 0.21 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1lts n LYS 34 Cb 0.21 -3.60 0.02 0.00 -0.02 0.00 0.00 35.03 31.64 1lts n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lts n ARG 35 N -1.65 1.84 -2.85 1.97 5.12 -0.22 -4.97 116.66 115.90 1lts n ARG 35 Ca 0.00 -3.63 -0.43 0.00 -1.93 0.00 0.00 57.85 51.86 1lts n ARG 35 Cb 0.10 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 29.82 1lts n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lts s GLU 36 N -3.26 3.38 0.23 5.56 8.01 -1.20 -4.34 118.70 127.07 1lts s GLU 36 Ca 0.33 -1.25 -0.12 0.00 0.01 0.00 0.00 54.97 53.94 1lts s GLU 36 Cb 0.44 -4.65 -0.00 0.00 -4.31 0.00 0.00 34.13 25.61 1lts s GLU 36 CO -0.03 -1.85 0.44 0.00 0.01 0.00 0.00 175.26 173.83 1lts s MET 37 N 3.61 1.47 -0.02 1.61 0.23 -1.15 -3.97 119.30 121.07 1lts s MET 37 Ca 0.30 -1.23 0.06 0.00 -1.03 0.00 0.00 55.69 53.79 1lts s MET 37 Cb -0.10 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1lts s MET 37 CO -0.00 -0.60 -0.22 0.08 -2.03 0.00 0.00 175.02 172.25 1lts s VAL 38 N -4.01 1.72 -0.07 5.16 1.01 -1.19 -1.10 120.40 121.93 1lts s VAL 38 Ca 0.22 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1lts s VAL 38 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1lts s VAL 38 CO 0.07 0.49 -0.24 -0.63 0.00 0.00 0.00 175.10 174.79 1lts s ILE 39 N -0.42 1.99 0.06 2.22 1.01 0.13 -1.17 121.20 125.03 1lts s ILE 39 Ca 0.06 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1lts s ILE 39 Cb -0.09 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1lts s ILE 39 CO -0.00 0.55 -0.23 0.27 0.00 0.00 0.00 174.94 175.53 1lts s ILE 40 N 0.02 1.84 0.21 2.92 -4.36 -0.39 -0.55 121.20 120.89 1lts s ILE 40 Ca -0.08 -1.36 0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1lts s ILE 40 Cb -0.15 -1.61 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 1lts s ILE 40 CO 0.05 0.19 -0.05 0.42 0.24 0.00 0.00 174.94 175.79 1lts s THR 41 N -0.89 1.17 0.24 8.37 -4.23 -1.05 -1.70 115.64 117.54 1lts s THR 41 Ca 0.09 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1lts s THR 41 Cb -0.09 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 1lts s THR 41 CO 0.03 -0.47 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.15 1lts s PHE 42 N -3.33 1.86 -0.70 3.99 0.08 -0.96 -0.64 117.98 118.28 1lts s PHE 42 Ca 0.24 -0.58 0.17 0.00 0.12 0.00 0.00 56.93 56.89 1lts s PHE 42 Cb 0.04 -0.92 0.74 0.00 -0.57 0.00 0.00 43.02 42.32 1lts s PHE 42 CO 0.06 0.39 1.52 0.36 -0.10 0.00 0.00 175.22 177.45 1lts n LYS 43 N -0.47 0.09 0.30 0.44 2.85 -1.26 -1.59 118.16 118.52 1lts n LYS 43 Ca -0.07 0.40 0.19 0.00 -1.05 0.00 0.00 58.31 57.79 1lts n LYS 43 Cb 0.61 -1.70 0.94 0.00 -0.65 0.00 0.00 35.03 34.23 1lts n LYS 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1lts h SER 44 N 0.00 0.00 0.00 -5.58 4.64 -1.98 -3.46 113.55 107.17 1lts h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lts h SER 44 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1lts h SER 44 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1lts n GLY 45 N -0.57 1.03 3.77 -0.77 0.00 -0.62 -5.08 105.19 102.95 1lts n GLY 45 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1lts n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lts s GLU 46 N -0.77 4.34 -0.02 1.61 0.41 -1.26 -4.85 118.70 118.17 1lts s GLU 46 Ca 0.00 2.23 0.05 0.00 -0.41 0.00 0.00 54.97 56.85 1lts s GLU 46 Cb 0.00 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.26 1lts s GLU 46 CO 0.00 -0.22 -0.18 0.99 -0.49 0.00 0.00 175.26 175.36 1lts s THR 47 N -1.02 1.43 0.08 3.63 2.01 -1.26 -2.27 115.64 118.25 1lts s THR 47 Ca 0.50 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1lts s THR 47 Cb -0.40 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1lts s THR 47 CO 0.52 0.41 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.44 1lts s PHE 48 N -0.36 0.78 0.09 4.92 0.08 -0.69 -4.17 117.98 118.63 1lts s PHE 48 Ca 0.05 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.22 1lts s PHE 48 Cb -0.08 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1lts s PHE 48 CO -0.00 -0.20 -0.08 1.14 -0.10 0.00 0.00 175.22 175.98 1lts s GLN 49 N -3.64 0.82 -0.24 0.44 -2.07 -0.89 -1.26 119.66 112.81 1lts s GLN 49 Ca 0.09 -1.22 -0.07 0.00 -1.82 0.00 0.00 55.36 52.34 1lts s GLN 49 Cb 0.04 -0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 31.59 1lts s GLN 49 CO -0.05 0.03 0.06 0.08 -1.32 0.00 0.00 175.29 174.09 1lts s VAL 50 N -2.96 4.30 0.56 3.63 1.01 -0.32 -1.14 120.40 125.48 1lts s VAL 50 Ca 0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1lts s VAL 50 Cb 0.01 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1lts s VAL 50 CO -0.02 0.35 1.06 -1.83 0.00 0.00 0.00 175.10 174.66 1lts s GLU 51 N 1.54 3.45 0.16 2.72 -1.05 -1.26 -3.16 118.70 121.09 1lts s GLU 51 Ca 0.06 1.32 -0.32 0.00 -0.15 0.00 0.00 54.97 55.88 1lts s GLU 51 Cb -0.15 -2.04 -0.12 0.00 -0.44 0.00 0.00 34.13 31.37 1lts s GLU 51 CO 0.03 -0.72 1.72 0.28 0.95 0.00 0.00 175.26 177.52 1lts n VAL 52 N -1.60 0.11 -1.68 1.83 0.31 -1.25 -4.91 118.33 111.12 1lts n VAL 52 Ca 0.09 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.97 1lts n VAL 52 Cb 0.52 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1lts n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1lts n PRO 53 N 4.31 2.08 -0.99 5.55 -0.02 -1.26 -4.92 135.00 139.74 1lts n PRO 53 Ca 0.17 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1lts n PRO 53 Cb 0.33 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1lts n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lts n GLY 54 N 1.49 2.80 0.32 -1.23 0.00 -1.26 -5.06 105.19 102.25 1lts n GLY 54 Ca 0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 1lts n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lts h SER 55 N 0.00 0.96 -0.12 1.61 0.02 -2.03 -1.14 113.55 112.85 1lts h SER 55 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1lts h SER 55 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1lts h SER 55 CO 0.00 0.72 0.00 1.67 -1.14 0.00 0.00 176.83 178.08 1lts n GLN 56 N -4.48 1.64 -3.74 3.45 -0.06 -1.26 -4.71 117.38 108.22 1lts n GLN 56 Ca 0.08 -0.58 -0.38 0.00 -2.00 0.00 0.00 57.00 54.12 1lts n GLN 56 Cb 0.04 -1.51 -0.12 0.00 -4.06 0.00 0.00 30.24 24.59 1lts n GLN 56 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1lts s HIS 57 N -1.46 3.24 0.69 3.69 3.76 -0.43 -5.09 115.29 119.68 1lts s HIS 57 Ca 0.10 -1.32 -0.16 0.00 -0.15 0.00 0.00 55.06 53.53 1lts s HIS 57 Cb 0.07 -2.29 0.02 0.00 1.11 0.00 0.00 32.58 31.49 1lts s HIS 57 CO 0.04 -0.70 1.20 0.96 -0.85 0.00 0.00 174.74 175.39 1lts s ILE 58 N 1.43 2.47 0.32 0.60 -4.36 -1.26 -4.84 121.20 115.56 1lts s ILE 58 Ca -0.01 0.25 0.24 0.00 -0.26 0.00 0.00 60.65 60.87 1lts s ILE 58 Cb -0.19 -2.87 0.24 0.00 1.25 0.00 0.00 42.46 40.89 1lts s ILE 58 CO 0.03 -0.11 1.96 0.44 0.24 0.00 0.00 174.94 177.50 1lts h ASP 59 N 0.03 0.00 0.13 4.36 3.32 -1.98 -1.86 116.42 120.41 1lts h ASP 59 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1lts h ASP 59 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1lts h ASP 59 CO 0.51 0.19 -0.17 0.77 -1.72 0.00 0.00 179.24 178.83 1lts h SER 60 N 0.00 0.09 0.78 6.45 4.64 -2.03 -1.38 113.55 122.10 1lts h SER 60 Ca -0.00 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1lts h SER 60 Cb 0.51 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1lts h SER 60 CO 0.02 0.28 -0.02 1.56 -0.87 0.00 0.00 176.83 177.80 1lts h GLN 61 N 0.10 0.00 -0.30 4.77 4.20 -1.69 -3.17 115.11 119.03 1lts h GLN 61 Ca 0.02 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1lts h GLN 61 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1lts h GLN 61 CO 0.02 0.02 -0.16 0.87 -0.67 0.00 0.00 178.83 178.92 1lts h LYS 62 N 0.00 0.63 0.00 1.46 1.57 -1.30 0.68 116.57 119.62 1lts h LYS 62 Ca -0.00 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1lts h LYS 62 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1lts h LYS 62 CO 0.00 0.86 -0.32 1.57 -0.57 0.00 0.00 179.45 181.00 1lts h LYS 63 N 0.38 0.00 0.00 3.15 2.10 -1.65 -2.96 116.57 117.58 1lts h LYS 63 Ca 0.06 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.54 1lts h LYS 63 Cb 0.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 1lts h LYS 63 CO 0.05 0.32 -0.81 0.00 -2.00 0.00 0.00 179.45 177.00 1lts h ALA 64 N 1.68 0.63 -0.57 0.07 0.00 -1.37 -2.76 119.26 116.93 1lts h ALA 64 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 1lts h ALA 64 Cb 0.75 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1lts h ALA 64 CO 0.04 1.02 0.15 0.82 0.00 0.00 0.00 179.25 181.27 1lts h ILE 65 N 0.00 1.23 -0.24 0.00 2.04 -0.72 -2.24 117.51 117.58 1lts h ILE 65 Ca -0.01 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 1lts h ILE 65 Cb 1.47 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1lts h ILE 65 CO 0.11 0.31 -0.27 -0.33 0.00 0.00 0.00 178.15 177.97 1lts h GLU 66 N 0.85 0.61 -0.85 2.37 4.39 -1.53 -2.36 114.58 118.06 1lts h GLU 66 Ca 0.19 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1lts h GLU 66 Cb 0.30 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1lts h GLU 66 CO -0.00 0.94 0.55 -0.09 -1.16 0.00 0.00 179.01 179.24 1lts h ARG 67 N 0.32 1.13 -0.57 2.33 2.43 -1.30 -2.74 114.38 115.98 1lts h ARG 67 Ca 0.03 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1lts h ARG 67 Cb 0.84 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1lts h ARG 67 CO 0.07 0.76 0.15 1.98 -1.51 0.00 0.00 179.97 181.42 1lts h MET 68 N 1.16 0.90 -0.73 0.20 4.05 -1.20 0.03 114.93 119.34 1lts h MET 68 Ca 0.31 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1lts h MET 68 Cb -0.11 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.54 1lts h MET 68 CO -0.06 0.83 0.27 0.87 0.23 0.00 0.00 176.91 179.04 1lts h LYS 69 N 0.81 1.10 -0.61 0.39 1.57 -1.20 0.16 116.57 118.79 1lts h LYS 69 Ca 0.18 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1lts h LYS 69 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1lts h LYS 69 CO -0.00 0.91 0.14 -0.44 -0.57 0.00 0.00 179.45 179.49 1lts h ASP 70 N 1.07 0.93 -0.42 0.86 3.32 -1.16 -1.16 116.42 119.86 1lts h ASP 70 Ca 0.24 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1lts h ASP 70 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1lts h ASP 70 CO -0.02 0.93 0.09 0.74 -1.72 0.00 0.00 179.24 179.27 1lts h THR 71 N 0.89 1.23 -0.41 0.35 2.02 -0.62 -2.83 112.91 113.55 1lts h THR 71 Ca 0.19 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 1lts h THR 71 Cb 0.37 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1lts h THR 71 CO 0.00 0.28 -0.14 -0.07 0.37 0.00 0.00 175.52 175.97 1lts h LEU 72 N 0.54 0.74 -0.41 2.58 3.38 -0.80 -1.35 115.31 119.98 1lts h LEU 72 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1lts h LEU 72 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1lts h LEU 72 CO 0.00 0.89 0.22 -0.09 0.09 0.00 0.00 178.44 179.56 1lts h ARG 73 N 0.67 0.57 0.02 1.13 2.43 -1.05 -1.13 114.38 117.02 1lts h ARG 73 Ca 0.11 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 1lts h ARG 73 Cb 0.61 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1lts h ARG 73 CO 0.04 0.46 -0.94 0.97 -1.51 0.00 0.00 179.97 179.00 1lts h ILE 74 N 0.53 1.52 -0.25 1.20 6.09 -1.42 -1.33 117.51 123.85 1lts h ILE 74 Ca 0.14 -2.75 0.00 0.00 -1.37 0.00 0.00 64.86 60.88 1lts h ILE 74 Cb 0.06 2.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 1lts h ILE 74 CO -0.02 0.80 0.17 0.74 -3.07 0.00 0.00 178.15 176.76 1lts h THR 75 N 0.09 1.06 -0.07 2.19 2.02 -1.16 -2.08 112.91 114.96 1lts h THR 75 Ca -0.05 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1lts h THR 75 Cb 1.59 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1lts h THR 75 CO 0.14 0.06 -0.04 0.22 0.37 0.00 0.00 175.52 176.27 1lts h TYR 76 N 0.34 -0.10 -0.13 3.16 3.20 -1.04 -2.26 116.97 120.13 1lts h TYR 76 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1lts h TYR 76 Cb -0.04 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1lts h TYR 76 CO -0.06 -0.07 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.20 1lts h LEU 77 N -0.05 0.18 -1.30 2.82 3.38 -1.07 -2.80 115.31 116.48 1lts h LEU 77 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1lts h LEU 77 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1lts h LEU 77 CO -0.10 0.33 0.00 0.35 0.09 0.00 0.00 178.44 179.12 1lts n THR 78 N -4.30 0.03 -2.68 0.22 -2.24 -0.80 -4.94 114.28 99.57 1lts n THR 78 Ca -0.01 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 1lts n THR 78 Cb 0.25 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1lts n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lts n GLU 79 N 0.57 -2.85 -2.22 -0.78 1.02 -0.90 -4.95 120.64 110.54 1lts n GLU 79 Ca 0.17 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.72 1lts n GLU 79 Cb 0.43 -5.52 -0.03 0.00 -0.02 0.00 0.00 31.44 26.31 1lts n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lts s THR 80 N -2.95 2.94 0.12 2.62 2.01 -0.94 -4.77 115.64 114.67 1lts s THR 80 Ca 0.12 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.77 1lts s THR 80 Cb -0.06 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1lts s THR 80 CO 0.15 0.23 1.00 -0.54 -0.69 0.00 0.00 174.62 174.77 1lts s LYS 81 N -1.69 4.67 0.03 4.92 1.02 -1.26 -4.41 119.74 123.02 1lts s LYS 81 Ca 0.48 1.52 -0.23 0.00 0.02 0.00 0.00 55.97 57.75 1lts s LYS 81 Cb -0.37 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 1lts s LYS 81 CO 0.49 0.17 0.70 0.42 -0.92 0.00 0.00 175.35 176.21 1lts s ILE 82 N -0.02 4.78 -0.00 2.17 1.01 -0.26 -4.49 121.20 124.39 1lts s ILE 82 Ca 0.48 1.49 -0.00 0.00 0.00 0.00 0.00 60.65 62.62 1lts s ILE 82 Cb -0.25 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 1lts s ILE 82 CO 0.31 0.39 -0.00 -0.78 0.00 0.00 0.00 174.94 174.86 1lts h ASP 83 N 5.57 0.00 -3.51 3.58 3.58 -1.18 0.13 116.42 124.59 1lts h ASP 83 Ca -0.45 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.50 1lts h ASP 83 Cb 1.20 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.08 1lts h ASP 83 CO 0.70 0.00 -0.77 -0.54 -2.88 0.00 0.00 179.24 175.75 1lts s LYS 84 N -1.00 1.27 -0.06 0.28 1.02 -1.21 -0.22 119.74 119.81 1lts s LYS 84 Ca -0.00 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 54.61 1lts s LYS 84 Cb 0.00 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 1lts s LYS 84 CO 0.00 0.25 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.94 1lts s LEU 85 N -2.78 2.02 -0.27 3.17 1.43 0.07 -2.19 118.68 120.13 1lts s LEU 85 Ca 0.17 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1lts s LEU 85 Cb -0.05 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1lts s LEU 85 CO 0.06 0.20 0.24 0.00 0.23 0.00 0.00 176.35 177.09 1lts s VAL 87 N 1.78 1.62 -0.21 0.00 -7.23 -0.50 -0.34 120.40 115.52 1lts s VAL 87 Ca 0.09 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1lts s VAL 87 Cb -0.16 -1.47 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1lts s VAL 87 CO 0.10 -0.04 0.88 0.26 -0.31 0.00 0.00 175.10 175.99 1lts s TRP 88 N -1.12 3.36 -2.12 2.82 0.51 0.17 -1.21 118.94 121.34 1lts s TRP 88 Ca 0.05 1.26 0.20 0.00 -2.12 0.00 0.00 56.10 55.49 1lts s TRP 88 Cb -0.10 -3.09 0.96 0.00 -0.81 0.00 0.00 33.47 30.43 1lts s TRP 88 CO 0.04 -0.36 1.65 0.27 -0.51 0.00 0.00 176.95 178.03 1lts n ASN 89 N 5.81 0.71 -1.66 2.95 0.23 -0.04 -2.20 115.26 121.06 1lts n ASN 89 Ca 0.07 -1.54 0.06 0.00 -0.53 0.00 0.00 54.58 52.64 1lts n ASN 89 Cb 0.48 -0.04 0.34 0.00 -2.08 0.00 0.00 39.78 38.47 1lts n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lts n ASN 90 N -0.32 4.94 -4.11 0.53 0.23 -1.26 -4.85 115.26 110.42 1lts n ASN 90 Ca 0.15 -2.74 -0.19 0.00 -0.53 0.00 0.00 54.58 51.26 1lts n ASN 90 Cb 0.18 -0.64 -0.14 0.00 -2.08 0.00 0.00 39.78 37.10 1lts n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1lts s LYS 91 N -2.41 0.88 -0.25 -3.83 3.01 -1.26 -5.09 119.74 110.79 1lts s LYS 91 Ca 0.46 -0.63 -0.02 0.00 -1.01 0.00 0.00 55.97 54.77 1lts s LYS 91 Cb 0.35 -0.86 0.02 0.00 -1.01 0.00 0.00 37.83 36.33 1lts s LYS 91 CO 0.15 0.22 -0.05 0.99 0.51 0.00 0.00 175.35 177.17 1lts s THR 92 N -0.69 3.04 0.86 2.17 2.01 -1.26 -1.81 115.64 119.96 1lts s THR 92 Ca 0.02 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 1lts s THR 92 Cb -0.07 -2.52 0.12 0.00 0.01 0.00 0.00 72.50 70.04 1lts s THR 92 CO 0.01 0.23 1.18 -2.84 -0.69 0.00 0.00 174.62 172.50 1lts s PRO 93 N 1.36 1.29 0.63 4.92 0.02 -1.26 -5.08 135.00 136.89 1lts s PRO 93 Ca 0.01 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 1lts s PRO 93 Cb -0.16 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1lts s PRO 93 CO -0.04 -2.45 1.17 0.09 -0.33 0.00 0.00 177.00 175.44 1lts n ASN 94 N -3.78 1.59 -4.69 2.53 5.03 -0.75 -4.61 115.26 110.58 1lts n ASN 94 Ca 0.13 0.82 -0.35 0.00 0.87 0.00 0.00 54.58 56.05 1lts n ASN 94 Cb 0.51 -1.49 -0.09 0.00 -1.02 0.00 0.00 39.78 37.69 1lts n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lts s SER 95 N -1.31 5.69 0.03 6.41 0.15 -0.93 -2.10 113.70 121.63 1lts s SER 95 Ca 0.80 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 1lts s SER 95 Cb -0.39 -1.89 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 1lts s SER 95 CO 0.43 0.26 1.34 -0.63 1.20 0.00 0.00 173.24 175.84 1lts s ILE 96 N -0.12 3.75 -0.15 6.45 1.01 -0.29 -0.66 121.20 131.18 1lts s ILE 96 Ca 0.07 1.18 0.06 0.00 0.00 0.00 0.00 60.65 61.97 1lts s ILE 96 Cb -0.12 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.45 1lts s ILE 96 CO 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 174.94 174.93 1lts n ALA 97 N 4.80 1.65 -3.16 9.38 0.00 0.54 -4.88 120.51 128.84 1lts n ALA 97 Ca 0.12 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1lts n ALA 97 Cb 0.44 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 1lts n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lts s ALA 98 N -2.33 -1.19 0.01 0.00 0.00 -0.74 -4.96 121.76 112.55 1lts s ALA 98 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1lts s ALA 98 Cb 0.05 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1lts s ALA 98 CO 0.47 -0.69 -0.02 -1.50 0.00 0.00 0.00 175.76 174.02 1lts s ILE 99 N -3.76 0.15 0.04 0.00 2.07 -1.26 -0.94 121.20 117.51 1lts s ILE 99 Ca 0.02 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1lts s ILE 99 Cb 0.01 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 1lts s ILE 99 CO -0.12 -0.14 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.74 1lts s SER 100 N -0.54 1.01 0.02 4.50 1.04 -0.93 -5.01 113.70 113.78 1lts s SER 100 Ca -0.05 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1lts s SER 100 Cb -0.04 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1lts s SER 100 CO -0.00 -0.15 -0.05 -0.04 0.98 0.00 0.00 173.24 173.97 1lts s MET 101 N -1.48 0.41 0.04 4.02 -1.94 -1.26 -0.64 119.30 118.45 1lts s MET 101 Ca -0.07 -0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1lts s MET 101 Cb -0.09 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.46 1lts s MET 101 CO 0.01 0.05 -0.03 -1.59 -0.01 0.00 0.00 175.02 173.45 1lts s LYS 102 N -0.89 0.54 0.00 2.03 -2.85 -1.26 -4.92 119.74 112.39 1lts s LYS 102 Ca -0.06 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1lts s LYS 102 Cb -0.06 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1lts s LYS 102 CO -0.00 -0.09 0.00 0.09 0.10 0.00 0.00 175.35 175.45