#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jin s MET 0 N 0.00 4.16 0.00 -1.46 -2.45 -1.26 -4.86 119.30 113.43 2jin s MET 0 Ca 0.00 1.48 0.03 0.00 -1.25 0.00 0.00 55.69 55.94 2jin s MET 0 Cb 0.00 -3.76 0.06 0.00 1.25 0.00 0.00 34.83 32.38 2jin s MET 0 CO 0.00 -0.79 0.92 0.54 1.05 0.00 0.00 175.02 176.74 2jin n ARG 4 N 6.72 1.90 -3.85 4.11 5.12 -1.26 -4.97 116.66 124.44 2jin n ARG 4 Ca 0.14 -1.35 -0.28 0.00 -1.93 0.00 0.00 57.85 54.43 2jin n ARG 4 Cb 0.46 -1.06 -0.16 0.00 -1.16 0.00 0.00 32.46 30.53 2jin n ARG 4 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jin s VAL 5 N -0.77 0.97 0.28 1.55 1.01 -1.26 -5.13 120.40 117.05 2jin s VAL 5 Ca 0.05 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2jin s VAL 5 Cb 0.03 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 2jin s VAL 5 CO 0.04 0.01 1.00 -1.81 0.00 0.00 0.00 175.10 174.34 2jin s ASP 6 N 1.68 7.39 0.21 3.32 1.01 -1.26 -4.97 116.67 124.05 2jin s ASP 6 Ca -0.01 2.04 -0.07 0.00 0.71 0.00 0.00 52.55 55.22 2jin s ASP 6 Cb -0.16 -2.61 0.16 0.00 1.01 0.00 0.00 42.92 41.32 2jin s ASP 6 CO -0.07 -0.04 1.75 0.22 0.21 0.00 0.00 175.17 177.24 2jin h TYR 7 N 3.72 1.18 -3.17 4.23 3.20 -2.04 -3.41 116.97 120.69 2jin h TYR 7 Ca -0.46 -0.12 -0.59 0.00 3.14 0.00 0.00 58.73 60.70 2jin h TYR 7 Cb 1.20 -0.34 -0.36 0.00 1.54 0.00 0.00 36.73 38.77 2jin h TYR 7 CO 0.60 0.93 -0.82 -0.51 -1.64 0.00 0.00 178.16 176.72 2jin s LEU 8 N -9.60 1.66 -0.71 2.82 1.43 -1.26 -5.08 118.68 107.94 2jin s LEU 8 Ca -0.12 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 2jin s LEU 8 Cb 0.15 -1.12 0.12 0.00 0.03 0.00 0.00 46.19 45.38 2jin s LEU 8 CO 0.84 -0.08 0.84 -0.69 0.23 0.00 0.00 176.35 177.48 2jin s VAL 9 N 1.52 4.88 -0.03 -1.59 1.01 -1.26 -4.78 120.40 120.15 2jin s VAL 9 Ca 0.04 -1.30 0.13 0.00 0.00 0.00 0.00 61.98 60.85 2jin s VAL 9 Cb -0.13 -4.57 -0.21 0.00 0.00 0.00 0.00 36.38 31.47 2jin s VAL 9 CO -0.10 -1.23 0.28 0.35 0.00 0.00 0.00 175.10 174.40 2jin n THR 10 N 5.33 0.06 -5.12 3.92 -2.24 -1.26 -4.96 114.28 110.00 2jin n THR 10 Ca 0.02 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 2jin n THR 10 Cb 0.45 0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 2jin n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jin s GLU 11 N -2.89 1.98 -0.17 -0.78 2.12 -1.26 0.11 118.70 117.81 2jin s GLU 11 Ca -0.05 -1.00 -0.18 0.00 0.36 0.00 0.00 54.97 54.09 2jin s GLU 11 Cb 0.08 -2.02 0.05 0.00 0.26 0.00 0.00 34.13 32.50 2jin s GLU 11 CO 0.56 0.54 0.50 -2.00 -0.54 0.00 0.00 175.26 174.32 2jin s GLU 12 N -0.89 0.62 -0.17 4.30 2.12 -0.52 -4.99 118.70 119.17 2jin s GLU 12 Ca 0.11 0.63 -0.15 0.00 0.36 0.00 0.00 54.97 55.92 2jin s GLU 12 Cb -0.10 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 2jin s GLU 12 CO 0.00 -0.09 0.34 -2.00 -0.54 0.00 0.00 175.26 172.98 2jin s GLU 13 N 0.11 4.24 -0.14 4.30 2.12 -1.26 -0.62 118.70 127.45 2jin s GLU 13 Ca -0.01 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2jin s GLU 13 Cb -0.03 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.91 2jin s GLU 13 CO 0.01 0.14 -0.14 0.42 -0.54 0.00 0.00 175.26 175.15 2jin s ILE 14 N 0.75 1.56 -0.40 -3.70 1.01 0.67 -4.97 121.20 116.12 2jin s ILE 14 Ca 0.18 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2jin s ILE 14 Cb -0.14 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.89 2jin s ILE 14 CO 0.06 0.46 0.30 0.20 0.00 0.00 0.00 174.94 175.96 2jin s ASN 15 N 1.43 6.11 0.23 3.58 0.01 -1.26 -0.28 114.94 124.75 2jin s ASN 15 Ca 0.04 -0.84 0.08 0.00 -0.71 0.00 0.00 52.86 51.42 2jin s ASN 15 Cb -0.13 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2jin s ASN 15 CO -0.10 -0.44 0.09 -0.76 -1.51 0.00 0.00 177.10 174.39 2jin s LEU 16 N 1.71 3.53 -0.03 0.60 1.43 0.11 -4.96 118.68 121.06 2jin s LEU 16 Ca 0.05 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2jin s LEU 16 Cb -0.19 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2jin s LEU 16 CO 0.10 0.01 -0.25 0.42 0.23 0.00 0.00 176.35 176.87 2jin s THR 17 N -2.06 1.99 0.35 5.49 -4.23 -1.26 -0.93 115.64 115.00 2jin s THR 17 Ca 0.31 -1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 2jin s THR 17 Cb -0.08 -1.66 -0.10 0.00 1.34 0.00 0.00 72.50 72.00 2jin s THR 17 CO 0.22 0.56 1.37 -0.60 -0.54 0.00 0.00 174.62 175.63 2jin s ARG 18 N -0.47 4.23 0.48 3.99 3.52 0.19 -4.84 118.95 126.05 2jin s ARG 18 Ca 0.06 2.34 0.08 0.00 -0.13 0.00 0.00 55.73 58.08 2jin s ARG 18 Cb -0.11 -3.00 0.08 0.00 -1.56 0.00 0.00 34.95 30.36 2jin s ARG 18 CO 0.00 -0.34 0.67 0.41 -0.81 0.00 0.00 175.30 175.23 2jin n GLY 19 N 0.67 1.93 0.37 8.12 0.00 -0.41 -4.95 105.19 110.92 2jin n GLY 19 Ca 0.01 -2.21 0.16 0.00 0.00 0.00 0.00 46.02 43.98 2jin n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jin h PRO 20 N 0.00 0.21 -0.69 1.61 0.11 -2.03 -1.58 132.00 129.64 2jin h PRO 20 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jin h PRO 20 Cb 1.03 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jin h PRO 20 CO 0.32 0.14 0.00 0.43 -0.21 0.00 0.00 178.00 178.68 2jin n SER 21 N -4.44 3.67 0.00 -2.05 7.64 -1.26 -5.07 113.62 112.11 2jin n SER 21 Ca 0.10 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2jin n SER 21 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2jin n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jin n GLY 22 N 1.58 -1.77 0.21 0.23 0.00 -0.60 -4.54 105.19 100.31 2jin n GLY 22 Ca 0.23 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.34 2jin n GLY 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jin h LEU 23 N 0.00 0.00 -0.31 0.99 3.38 -1.89 -1.08 115.31 116.40 2jin h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jin h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jin h LEU 23 CO 0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2jin n GLY 24 N 0.96 1.07 3.31 0.83 0.00 -1.26 -1.24 105.19 108.86 2jin n GLY 24 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2jin n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jin s PHE 25 N -2.31 -0.19 0.06 1.61 -0.71 -1.26 -1.02 117.98 114.16 2jin s PHE 25 Ca 0.00 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.85 2jin s PHE 25 Cb 0.00 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 2jin s PHE 25 CO 0.00 -0.65 0.05 -0.80 -1.34 0.00 0.00 175.22 172.48 2jin s ASN 26 N -2.59 5.40 0.13 1.98 0.01 -0.08 -4.94 114.94 114.85 2jin s ASN 26 Ca 0.01 -0.02 0.10 0.00 -0.71 0.00 0.00 52.86 52.24 2jin s ASN 26 Cb 0.01 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.21 2jin s ASN 26 CO -0.09 0.20 -0.26 0.27 -1.51 0.00 0.00 177.10 175.71 2jin s ILE 27 N -1.31 2.16 0.32 0.60 -4.36 -1.26 -1.09 121.20 116.25 2jin s ILE 27 Ca 0.27 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2jin s ILE 27 Cb -0.12 -1.92 -0.06 0.00 1.25 0.00 0.00 42.46 41.61 2jin s ILE 27 CO 0.19 0.05 0.07 0.68 0.24 0.00 0.00 174.94 176.17 2jin s VAL 28 N -1.11 1.06 0.00 8.37 -7.23 -0.48 -4.85 120.40 116.16 2jin s VAL 28 Ca 0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2jin s VAL 28 Cb -0.10 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2jin s VAL 28 CO 0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2jin n GLY 29 N -0.65 -2.33 0.00 2.32 0.00 -1.26 -1.11 105.19 102.15 2jin n GLY 29 Ca -0.02 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2jin n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jin n GLY 30 N -0.01 3.02 0.29 -0.02 0.00 -0.96 -4.14 105.19 103.37 2jin n GLY 30 Ca 0.00 -2.01 0.17 0.00 0.00 0.00 0.00 46.02 44.18 2jin n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jin h THR 31 N 0.13 0.24 -0.56 2.61 1.35 -1.44 -1.01 112.91 114.23 2jin h THR 31 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2jin h THR 31 Cb 0.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2jin h THR 31 CO 0.00 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 174.42 2jin n ASP 32 N -3.32 3.57 -2.72 5.36 5.75 -1.26 -4.19 116.55 119.73 2jin n ASP 32 Ca -0.02 -2.19 -0.18 0.00 -0.01 0.00 0.00 54.79 52.40 2jin n ASP 32 Cb 0.20 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2jin n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jin n GLN 33 N 1.05 2.05 0.26 0.11 6.02 -0.38 -4.91 117.38 121.58 2jin n GLN 33 Ca 0.20 -3.84 0.17 0.00 -0.01 0.00 0.00 57.00 53.53 2jin n GLN 33 Cb 0.63 -1.74 0.84 0.00 1.02 0.00 0.00 30.24 30.99 2jin n GLN 33 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2jin h GLN 34 N 2.87 0.00 0.00 -1.09 1.08 -1.73 -2.20 115.11 114.04 2jin h GLN 34 Ca 0.08 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2jin h GLN 34 Cb 0.99 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2jin h GLN 34 CO 0.64 0.00 -0.02 0.10 -0.95 0.00 0.00 178.83 178.61 2jin h TYR 35 N 0.00 0.00 -0.28 2.96 -0.00 -1.93 -3.32 116.97 114.40 2jin h TYR 35 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.59 2jin h TYR 35 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2jin h TYR 35 CO 0.00 0.02 -0.40 -0.39 -0.00 0.00 0.00 178.16 177.38 2jin h VAL 36 N 0.00 1.29 -3.56 -0.90 -1.51 -1.80 -3.46 116.25 106.31 2jin h VAL 36 Ca -0.00 -1.57 -0.08 0.00 -1.23 0.00 0.00 66.70 63.82 2jin h VAL 36 Cb 0.66 1.50 -0.14 0.00 -2.13 0.00 0.00 31.29 31.18 2jin h VAL 36 CO 0.00 0.50 -0.26 -0.94 -1.23 0.00 0.00 177.57 175.65 2jin s SER 37 N -6.85 -0.04 0.00 4.19 1.04 -1.25 -5.01 113.70 105.78 2jin s SER 37 Ca -0.08 -0.44 0.29 0.00 0.48 0.00 0.00 55.95 56.20 2jin s SER 37 Cb 0.12 0.38 1.62 0.00 0.10 0.00 0.00 66.02 68.24 2jin s SER 37 CO 0.84 -0.73 2.06 -0.46 0.98 0.00 0.00 173.24 175.93 2jin n ASN 38 N 0.07 0.28 -3.59 7.02 0.23 -1.26 -4.42 115.26 113.59 2jin n ASN 38 Ca -0.16 -1.16 -0.29 0.00 -0.53 0.00 0.00 54.58 52.43 2jin n ASN 38 Cb 0.62 -0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.19 2jin n ASN 38 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jin s ASP 39 N -1.92 3.37 0.30 0.53 2.15 -1.26 -5.11 116.67 114.73 2jin s ASP 39 Ca 0.43 -2.27 -0.29 0.00 0.43 0.00 0.00 52.55 50.85 2jin s ASP 39 Cb 0.20 -0.70 -0.12 0.00 -0.30 0.00 0.00 42.92 42.00 2jin s ASP 39 CO 0.34 -0.31 1.41 -0.24 -0.17 0.00 0.00 175.17 176.19 2jin n SER 40 N 3.98 3.07 0.00 -0.34 2.88 -1.26 -4.92 113.62 117.03 2jin n SER 40 Ca 0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2jin n SER 40 Cb 0.37 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2jin n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jin n GLY 41 N 1.44 -0.75 3.64 0.46 0.00 -1.26 -5.00 105.19 103.72 2jin n GLY 41 Ca 0.07 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2jin n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jin s ILE 42 N -3.00 4.88 0.08 -0.61 -1.09 -1.26 -2.26 121.20 117.93 2jin s ILE 42 Ca 0.00 0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 2jin s ILE 42 Cb 0.00 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2jin s ILE 42 CO 0.00 0.45 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.62 2jin s TYR 43 N 0.47 1.94 -0.38 3.97 2.02 -0.27 -0.33 117.35 124.76 2jin s TYR 43 Ca 0.04 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 2jin s TYR 43 Cb -0.12 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2jin s TYR 43 CO 0.00 0.17 1.10 0.08 -1.57 0.00 0.00 175.55 175.33 2jin s VAL 44 N -0.96 4.38 -0.17 0.71 1.01 0.05 -1.38 120.40 124.05 2jin s VAL 44 Ca 0.09 1.53 0.20 0.00 0.00 0.00 0.00 61.98 63.80 2jin s VAL 44 Cb -0.10 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 31.70 2jin s VAL 44 CO 0.03 -0.70 0.88 -1.54 0.00 0.00 0.00 175.10 173.78 2jin n SER 45 N 7.27 0.77 -3.68 3.32 3.41 -0.25 -0.33 113.62 124.12 2jin n SER 45 Ca 0.12 0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 2jin n SER 45 Cb 0.48 0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 64.80 2jin n SER 45 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jin s ARG 46 N -3.17 0.60 -0.24 4.33 3.52 -1.23 -4.83 118.95 117.93 2jin s ARG 46 Ca -0.02 0.88 -0.14 0.00 -0.13 0.00 0.00 55.73 56.32 2jin s ARG 46 Cb 0.09 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 2jin s ARG 46 CO 0.81 -0.11 0.34 0.42 -0.81 0.00 0.00 175.30 175.95 2jin s ILE 47 N 0.86 5.22 0.13 4.11 -1.09 -1.26 -0.91 121.20 128.27 2jin s ILE 47 Ca -0.05 0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 58.62 2jin s ILE 47 Cb -0.05 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.09 2jin s ILE 47 CO -0.07 0.23 1.14 -0.54 -1.23 0.00 0.00 174.94 174.47 2jin s LYS 48 N 1.60 4.52 0.11 2.79 -0.14 -0.19 -4.93 119.74 123.50 2jin s LYS 48 Ca 0.15 1.75 -0.34 0.00 -1.36 0.00 0.00 55.97 56.16 2jin s LYS 48 Cb -0.15 -3.30 -0.14 0.00 -1.68 0.00 0.00 37.83 32.56 2jin s LYS 48 CO 0.08 -0.07 1.59 -1.91 -0.76 0.00 0.00 175.35 174.29 2jin n GLU 49 N 2.98 2.01 -1.01 1.68 4.07 -1.26 -2.21 120.64 126.89 2jin n GLU 49 Ca 0.05 0.73 -0.00 0.00 -0.06 0.00 0.00 57.16 57.88 2jin n GLU 49 Cb 0.46 -2.49 -0.00 0.00 -0.06 0.00 0.00 31.44 29.35 2jin n GLU 49 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jin n ASN 50 N 3.78 -5.09 -2.35 4.31 5.03 -1.26 -4.98 115.26 114.70 2jin n ASN 50 Ca 0.18 0.01 -0.03 0.00 0.87 0.00 0.00 54.58 55.60 2jin n ASN 50 Cb 0.27 -2.61 0.02 0.00 -1.02 0.00 0.00 39.78 36.44 2jin n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jin n GLY 51 N -0.23 0.51 0.17 7.41 0.00 -0.94 -4.80 105.19 107.32 2jin n GLY 51 Ca -0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 2jin n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jin h ALA 52 N -0.66 -0.30 -0.75 4.61 0.00 -1.80 -0.76 119.26 119.60 2jin h ALA 52 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jin h ALA 52 Cb 0.17 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jin h ALA 52 CO 0.05 -0.68 0.43 0.00 0.00 0.00 0.00 179.25 179.05 2jin h ALA 53 N 0.47 1.35 0.01 0.00 0.00 -1.38 -0.53 119.26 119.19 2jin h ALA 53 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jin h ALA 53 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jin h ALA 53 CO 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 2jin h ALA 54 N 1.44 -0.02 -0.58 0.00 0.00 -1.66 -1.86 119.26 116.58 2jin h ALA 54 Ca 0.27 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2jin h ALA 54 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jin h ALA 54 CO -0.05 -0.44 0.07 -0.07 0.00 0.00 0.00 179.25 178.76 2jin h LEU 55 N -0.15 0.91 -1.00 0.00 3.38 -0.83 -2.53 115.31 115.09 2jin h LEU 55 Ca -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2jin h LEU 55 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2jin h LEU 55 CO 0.00 0.93 0.35 -0.78 0.09 0.00 0.00 178.44 179.03 2jin h ASP 56 N 0.90 0.96 0.00 -0.43 3.58 -0.92 -3.47 116.42 117.04 2jin h ASP 56 Ca 0.18 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2jin h ASP 56 Cb 0.43 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2jin h ASP 56 CO 0.01 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.80 2jin n GLY 57 N -1.06 2.37 0.14 -0.78 0.00 -0.72 -4.89 105.19 100.24 2jin n GLY 57 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2jin n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jin n ARG 58 N -2.00 0.76 -2.15 1.61 1.74 -1.26 -4.87 116.66 110.49 2jin n ARG 58 Ca 0.00 0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.93 2jin n ARG 58 Cb 0.00 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 2jin n ARG 58 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2jin s LEU 59 N -7.00 4.42 0.14 0.55 2.96 -1.26 -5.03 118.68 113.45 2jin s LEU 59 Ca -0.22 2.54 0.09 0.00 -0.22 0.00 0.00 54.13 56.33 2jin s LEU 59 Cb 0.07 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2jin s LEU 59 CO 0.77 -0.56 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.92 2jin s GLN 60 N -0.67 1.28 0.31 1.98 -1.52 -1.26 -4.92 119.66 114.86 2jin s GLN 60 Ca 0.55 -1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 52.35 2jin s GLN 60 Cb -0.39 -1.55 -0.11 0.00 -0.22 0.00 0.00 33.01 30.74 2jin s GLN 60 CO 0.43 0.35 1.54 -2.00 -0.25 0.00 0.00 175.29 175.36 2jin s GLU 61 N -2.28 4.14 0.00 2.91 2.12 -1.26 -1.65 118.70 122.68 2jin s GLU 61 Ca 0.12 2.53 0.00 0.00 0.36 0.00 0.00 54.97 57.99 2jin s GLU 61 Cb -0.09 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.28 2jin s GLU 61 CO 0.06 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2jin n GLY 62 N 1.75 1.35 3.75 -1.50 0.00 0.55 -4.88 105.19 106.21 2jin n GLY 62 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2jin n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jin n ASP 63 N 0.00 3.26 -4.68 1.61 8.00 -0.66 -4.30 116.55 119.77 2jin n ASP 63 Ca 0.00 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.26 2jin n ASP 63 Cb 0.00 -1.59 -0.08 0.00 -0.02 0.00 0.00 41.12 39.43 2jin n ASP 63 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2jin s LYS 64 N -2.37 4.15 -0.41 -1.24 2.20 -0.29 -0.77 119.74 121.01 2jin s LYS 64 Ca 0.60 -0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 56.00 2jin s LYS 64 Cb -0.46 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.36 2jin s LYS 64 CO 0.58 0.07 0.51 0.42 -0.36 0.00 0.00 175.35 176.57 2jin s ILE 65 N 1.01 5.00 0.07 5.43 1.01 0.55 -0.63 121.20 133.64 2jin s ILE 65 Ca 0.13 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 2jin s ILE 65 Cb -0.14 -4.07 -0.28 0.00 0.01 0.00 0.00 42.46 37.99 2jin s ILE 65 CO 0.05 -0.42 1.13 -0.07 0.00 0.00 0.00 174.94 175.63 2jin h LEU 66 N 9.24 0.75 -7.19 2.97 3.38 -0.94 -3.39 115.31 120.12 2jin h LEU 66 Ca -0.26 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 56.93 2jin h LEU 66 Cb 1.11 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.44 2jin h LEU 66 CO 0.82 1.52 0.03 -0.94 0.09 0.00 0.00 178.44 179.95 2jin s SER 67 N -7.35 -0.47 -0.14 -0.43 1.04 -1.17 -1.52 113.70 103.67 2jin s SER 67 Ca -0.08 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2jin s SER 67 Cb 0.06 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2jin s SER 67 CO 0.92 -0.61 -0.20 -0.69 0.98 0.00 0.00 173.24 173.63 2jin s VAL 68 N -1.69 1.93 -1.66 5.02 1.01 -0.49 -2.10 120.40 122.42 2jin s VAL 68 Ca -0.09 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2jin s VAL 68 Cb -0.01 -1.72 0.14 0.00 0.00 0.00 0.00 36.38 34.78 2jin s VAL 68 CO 0.04 0.52 0.79 0.59 0.00 0.00 0.00 175.10 177.04 2jin n ASN 69 N 4.17 -3.28 0.00 3.32 3.02 0.15 -0.80 115.26 121.84 2jin n ASN 69 Ca -0.20 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2jin n ASN 69 Cb 0.51 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 2jin n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jin n GLY 70 N -1.48 2.25 3.61 7.41 0.00 -1.26 -5.00 105.19 110.72 2jin n GLY 70 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2jin n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jin s GLN 71 N -0.01 3.92 0.46 1.61 2.00 0.02 -5.00 119.66 122.65 2jin s GLN 71 Ca 0.00 0.53 -0.25 0.00 -2.00 0.00 0.00 55.36 53.64 2jin s GLN 71 Cb 0.00 -3.74 -0.08 0.00 0.80 0.00 0.00 33.01 29.99 2jin s GLN 71 CO 0.00 -0.71 1.37 0.34 -0.50 0.00 0.00 175.29 175.79 2jin s ASP 72 N 1.67 5.88 0.00 6.67 -1.08 -1.26 -1.39 116.67 127.15 2jin s ASP 72 Ca 0.32 2.79 0.18 0.00 -0.52 0.00 0.00 52.55 55.32 2jin s ASP 72 Cb -0.14 -2.64 0.10 0.00 -1.46 0.00 0.00 42.92 38.78 2jin s ASP 72 CO 0.13 -1.16 1.01 0.18 0.52 0.00 0.00 175.17 175.86 2jin n LEU 73 N -0.29 2.25 0.30 -1.34 4.77 -0.57 -4.73 117.00 117.38 2jin n LEU 73 Ca 0.06 -0.93 0.15 0.00 -0.03 0.00 0.00 56.01 55.26 2jin n LEU 73 Cb 0.43 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.44 2jin n LEU 73 CO 0.56 0.40 1.12 0.07 -1.33 0.00 0.00 177.39 178.22 2jin h LYS 74 N 3.02 0.00 -0.05 3.23 2.10 -1.90 -2.94 116.57 120.03 2jin h LYS 74 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2jin h LYS 74 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2jin h LYS 74 CO 0.00 0.00 -0.38 0.09 -2.00 0.00 0.00 179.45 177.17 2jin n ASN 75 N -3.82 1.91 -4.74 7.07 3.02 -1.26 -4.81 115.26 112.63 2jin n ASN 75 Ca -0.03 -3.78 -0.36 0.00 -0.03 0.00 0.00 54.58 50.39 2jin n ASN 75 Cb 0.09 -0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 2jin n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jin s LEU 76 N -3.19 3.94 0.79 3.41 1.43 -1.11 -4.92 118.68 119.03 2jin s LEU 76 Ca 0.38 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 2jin s LEU 76 Cb 0.36 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.71 2jin s LEU 76 CO -0.05 0.34 1.22 0.18 0.23 0.00 0.00 176.35 178.27 2jin n LEU 77 N 2.45 4.64 -0.14 1.79 4.77 -1.26 -1.17 117.00 128.09 2jin n LEU 77 Ca -0.19 0.61 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 2jin n LEU 77 Cb 0.54 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2jin n LEU 77 CO 0.31 -1.60 0.77 -0.74 -1.33 0.00 0.00 177.39 174.79 2jin h HIS 78 N -0.75 -0.28 -0.49 -1.77 -0.00 -1.88 -1.47 115.15 108.52 2jin h HIS 78 Ca -0.47 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 59.91 2jin h HIS 78 Cb 1.30 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.88 2jin h HIS 78 CO 0.46 -0.21 0.15 0.37 -0.00 0.00 0.00 177.93 178.70 2jin h GLN 79 N -0.02 0.73 -0.26 5.26 5.75 -1.91 -1.57 115.11 123.08 2jin h GLN 79 Ca 0.21 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2jin h GLN 79 Cb 0.35 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2jin h GLN 79 CO -0.47 0.64 -0.11 -0.44 -2.65 0.00 0.00 178.83 175.80 2jin h ASP 80 N 0.72 0.41 -0.16 -0.69 3.32 -1.66 -0.36 116.42 118.00 2jin h ASP 80 Ca 0.17 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2jin h ASP 80 Cb 0.22 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2jin h ASP 80 CO -0.01 0.57 -0.13 0.00 -1.72 0.00 0.00 179.24 177.95 2jin h ALA 81 N 1.48 0.23 -0.54 3.45 0.00 -0.50 -1.53 119.26 121.86 2jin h ALA 81 Ca 0.08 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.78 2jin h ALA 81 Cb 0.45 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2jin h ALA 81 CO 0.03 0.09 0.06 0.28 0.00 0.00 0.00 179.25 179.71 2jin h VAL 82 N 0.02 0.64 -0.65 0.00 2.07 -1.00 -1.39 116.25 115.93 2jin h VAL 82 Ca 0.03 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 2jin h VAL 82 Cb 0.64 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2jin h VAL 82 CO 0.03 0.03 0.17 0.44 0.02 0.00 0.00 177.57 178.27 2jin h ASP 83 N 0.19 0.95 0.18 0.57 3.32 -0.89 -1.76 116.42 118.97 2jin h ASP 83 Ca 0.28 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jin h ASP 83 Cb 0.41 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2jin h ASP 83 CO -0.40 0.91 -0.15 0.25 -1.72 0.00 0.00 179.24 178.14 2jin h LEU 84 N 0.97 -0.39 -0.65 1.55 6.46 -0.62 0.13 115.31 122.76 2jin h LEU 84 Ca 0.21 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.06 2jin h LEU 84 Cb 0.32 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 2jin h LEU 84 CO -0.00 -0.23 0.36 -0.26 -0.62 0.00 0.00 178.44 177.69 2jin h PHE 85 N -0.34 0.65 -0.35 1.25 0.04 -1.01 -1.73 116.94 115.46 2jin h PHE 85 Ca -0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2jin h PHE 85 Cb 0.31 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2jin h PHE 85 CO -0.12 0.31 -0.02 0.00 -0.60 0.00 0.00 178.31 177.88 2jin h ARG 86 N 0.66 0.55 -0.00 1.51 3.08 -0.96 -2.58 114.38 116.63 2jin h ARG 86 Ca 0.29 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2jin h ARG 86 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2jin h ARG 86 CO -0.18 0.59 -0.03 -1.71 -1.07 0.00 0.00 179.97 177.57 2jin n ASN 87 N -4.26 0.12 -0.03 7.04 5.15 0.00 -4.32 115.26 118.96 2jin n ASN 87 Ca 0.01 -0.41 0.14 0.00 -0.60 0.00 0.00 54.58 53.73 2jin n ASN 87 Cb 0.26 -0.18 0.65 0.00 -0.53 0.00 0.00 39.78 39.99 2jin n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jin n ALA 88 N -1.14 2.61 0.00 5.20 0.00 -0.78 -5.02 120.51 121.38 2jin n ALA 88 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jin n ALA 88 Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2jin n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jin n GLY 89 N 1.34 -1.84 0.09 0.00 0.00 -1.26 -4.51 105.19 99.01 2jin n GLY 89 Ca 0.12 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2jin n GLY 89 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jin h TYR 90 N 0.00 -0.10 -3.33 1.61 3.20 -1.95 -3.42 116.97 112.97 2jin h TYR 90 Ca 0.00 -0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.29 2jin h TYR 90 Cb 0.00 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 2jin h TYR 90 CO 0.00 0.39 -0.15 0.00 -1.64 0.00 0.00 178.16 176.76 2jin s ALA 91 N -4.04 3.48 -0.07 1.82 0.00 -1.26 -0.64 121.76 121.04 2jin s ALA 91 Ca -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2jin s ALA 91 Cb 0.01 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.51 2jin s ALA 91 CO 0.61 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 176.38 2jin s VAL 92 N 0.64 0.80 -0.33 0.00 1.01 -0.10 -5.00 120.40 117.42 2jin s VAL 92 Ca 0.25 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2jin s VAL 92 Cb -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2jin s VAL 92 CO 0.10 0.30 0.20 -0.44 0.00 0.00 0.00 175.10 175.27 2jin s SER 93 N 1.26 5.86 -0.13 3.32 0.01 -1.26 -0.72 113.70 122.05 2jin s SER 93 Ca -0.05 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2jin s SER 93 Cb -0.14 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2jin s SER 93 CO -0.02 -0.21 0.05 -0.76 0.41 0.00 0.00 173.24 172.70 2jin s LEU 94 N 1.68 3.80 -0.23 2.44 1.43 0.62 0.31 118.68 128.73 2jin s LEU 94 Ca 0.06 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.26 2jin s LEU 94 Cb -0.17 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2jin s LEU 94 CO 0.09 0.30 0.05 -0.60 0.23 0.00 0.00 176.35 176.42 2jin s ARG 95 N -0.39 3.68 0.22 1.70 3.00 -0.89 -0.24 118.95 126.04 2jin s ARG 95 Ca 0.09 -0.47 0.10 0.00 -1.00 0.00 0.00 55.73 54.44 2jin s ARG 95 Cb -0.12 -3.24 -0.05 0.00 0.00 0.00 0.00 34.95 31.55 2jin s ARG 95 CO 0.02 -0.07 -0.19 0.14 0.00 0.00 0.00 175.30 175.20 2jin s VAL 96 N 1.28 2.14 -0.23 7.11 -7.23 0.20 -0.28 120.40 123.38 2jin s VAL 96 Ca 0.04 -2.19 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 2jin s VAL 96 Cb -0.15 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2jin s VAL 96 CO 0.03 -0.38 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.76 2jin s GLN 97 N -3.24 2.83 0.76 4.82 0.74 0.20 -1.43 119.66 124.33 2jin s GLN 97 Ca 0.24 -0.97 -0.11 0.00 0.05 0.00 0.00 55.36 54.56 2jin s GLN 97 Cb -0.05 -2.89 0.05 0.00 1.10 0.00 0.00 33.01 31.23 2jin s GLN 97 CO 0.10 -0.37 1.10 -1.01 -0.55 0.00 0.00 175.29 174.57 2jin s HIS 98 N 1.30 2.50 0.24 1.67 3.76 0.12 -1.14 115.29 123.74 2jin s HIS 98 Ca 0.00 1.58 -0.31 0.00 -0.15 0.00 0.00 55.06 56.18 2jin s HIS 98 Cb -0.16 -3.10 -0.13 0.00 1.11 0.00 0.00 32.58 30.30 2jin s HIS 98 CO -0.06 -1.88 1.53 -2.13 -0.85 0.00 0.00 174.74 171.35 2jin n ARG 99 N -3.36 2.37 -3.88 1.40 0.63 -1.26 -4.87 116.66 107.69 2jin n ARG 99 Ca 0.10 0.85 -0.19 0.00 -0.92 0.00 0.00 57.85 57.69 2jin n ARG 99 Cb 0.53 -2.58 -0.17 0.00 0.45 0.00 0.00 32.46 30.69 2jin n ARG 99 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jin s GLU 100 N -0.08 0.32 -0.08 -0.14 2.12 -1.26 -5.11 118.70 114.47 2jin s GLU 100 Ca 0.69 0.12 0.03 0.00 0.36 0.00 0.00 54.97 56.16 2jin s GLU 100 Cb -0.58 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.20 2jin s GLU 100 CO 0.46 -0.19 -0.16 -1.12 -0.54 0.00 0.00 175.26 173.71 2jin s SER 101 N 1.34 3.84 -0.09 -1.70 0.01 -1.26 -5.09 113.70 110.74 2jin s SER 101 Ca -0.05 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.65 2jin s SER 101 Cb -0.13 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 2jin s SER 101 CO -0.02 0.26 0.80 -0.44 0.41 0.00 0.00 173.24 174.25 2jin s SER 102 N -0.22 7.05 0.00 2.44 0.01 -1.26 -5.34 113.70 116.38 2jin s SER 102 Ca 0.00 1.27 0.05 0.00 1.31 0.00 0.00 55.95 58.58 2jin s SER 102 Cb -0.13 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2jin s SER 102 CO 0.03 -0.25 0.65 -0.38 0.41 0.00 0.00 173.24 173.70