#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jik n MET 0 N 0.00 3.74 0.26 4.33 2.00 -1.26 -4.71 117.12 121.49 2jik n MET 0 Ca 0.00 -2.43 0.11 0.00 0.00 0.00 0.00 57.70 55.38 2jik n MET 0 Cb 0.00 -2.66 0.72 0.00 0.00 0.00 0.00 33.22 31.28 2jik n MET 0 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2jik h ASP 6 N 4.64 0.00 0.29 7.83 3.32 -2.07 -2.21 116.42 128.21 2jik h ASP 6 Ca 0.75 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.80 2jik h ASP 6 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2jik h ASP 6 CO 1.53 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 179.12 2jik n TYR 7 N -4.07 0.16 0.45 4.55 4.11 -1.26 -2.04 117.16 119.06 2jik n TYR 7 Ca -0.03 0.07 0.13 0.00 -0.00 0.00 0.00 57.90 58.08 2jik n TYR 7 Cb 0.15 -0.62 0.42 0.00 -0.00 0.00 0.00 39.34 39.29 2jik n TYR 7 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 2jik h LEU 8 N 0.00 0.00 -8.14 -3.48 3.38 -1.80 -3.46 115.31 101.81 2jik h LEU 8 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2jik h LEU 8 Cb 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.65 2jik h LEU 8 CO 0.00 0.00 -0.76 0.68 0.09 0.00 0.00 178.44 178.45 2jik s VAL 9 N -3.25 0.70 0.32 1.22 -7.23 -0.87 -1.15 120.40 110.14 2jik s VAL 9 Ca 0.07 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 2jik s VAL 9 Cb 0.10 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2jik s VAL 9 CO 0.55 -0.10 0.11 0.42 -0.31 0.00 0.00 175.10 175.78 2jik s THR 10 N -0.82 0.66 0.20 5.32 -4.23 -0.55 -4.98 115.64 111.23 2jik s THR 10 Ca -0.02 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2jik s THR 10 Cb -0.07 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 2jik s THR 10 CO 0.00 0.00 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.31 2jik s GLU 11 N -3.87 1.34 -0.16 3.99 2.02 -1.26 -0.82 118.70 119.93 2jik s GLU 11 Ca 0.34 -1.54 -0.15 0.00 0.02 0.00 0.00 54.97 53.64 2jik s GLU 11 Cb 0.06 -1.25 0.04 0.00 0.10 0.00 0.00 34.13 33.09 2jik s GLU 11 CO 0.15 0.23 0.44 -2.00 0.02 0.00 0.00 175.26 174.10 2jik s GLU 12 N -3.33 0.52 -0.19 1.61 2.12 -0.42 -4.93 118.70 114.10 2jik s GLU 12 Ca 0.21 0.59 -0.21 0.00 0.36 0.00 0.00 54.97 55.91 2jik s GLU 12 Cb -0.03 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2jik s GLU 12 CO 0.07 -0.07 0.64 -2.00 -0.54 0.00 0.00 175.26 173.37 2jik s GLU 13 N 0.18 4.24 -0.09 4.30 2.56 -1.26 -1.25 118.70 127.37 2jik s GLU 13 Ca -0.00 0.66 0.04 0.00 0.00 0.00 0.00 54.97 55.66 2jik s GLU 13 Cb -0.03 -3.57 -0.00 0.00 2.00 0.00 0.00 34.13 32.53 2jik s GLU 13 CO 0.01 -0.22 -0.23 0.42 -0.56 0.00 0.00 175.26 174.68 2jik s ILE 14 N 1.82 2.15 -0.18 -3.70 1.01 0.65 -4.98 121.20 117.98 2jik s ILE 14 Ca 0.30 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2jik s ILE 14 Cb -0.16 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.52 2jik s ILE 14 CO 0.11 0.56 -0.20 0.20 0.00 0.00 0.00 174.94 175.61 2jik s ASN 15 N 0.19 3.12 0.04 3.58 0.01 -1.26 0.11 114.94 120.74 2jik s ASN 15 Ca -0.14 -0.65 0.05 0.00 -0.71 0.00 0.00 52.86 51.41 2jik s ASN 15 Cb -0.17 -1.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 2jik s ASN 15 CO 0.07 -0.01 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.81 2jik s LEU 16 N 1.30 3.08 -0.21 0.60 1.43 0.30 -4.96 118.68 120.23 2jik s LEU 16 Ca 0.05 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2jik s LEU 16 Cb -0.13 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2jik s LEU 16 CO -0.13 0.24 0.06 -0.89 0.23 0.00 0.00 176.35 175.86 2jik s THR 17 N -1.08 4.53 -0.34 5.49 2.01 -1.26 -0.89 115.64 124.10 2jik s THR 17 Ca 0.19 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 2jik s THR 17 Cb -0.11 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2jik s THR 17 CO 0.10 0.40 0.66 -0.60 -0.69 0.00 0.00 174.62 174.49 2jik s ARG 18 N 0.95 3.76 0.00 4.92 3.52 0.68 -4.77 118.95 128.02 2jik s ARG 18 Ca 0.04 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2jik s ARG 18 Cb -0.14 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2jik s ARG 18 CO 0.03 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 2jik n GLY 19 N 4.56 2.85 0.39 8.12 0.00 -1.26 -4.83 105.19 115.01 2jik n GLY 19 Ca -0.00 -2.15 0.18 0.00 0.00 0.00 0.00 46.02 44.05 2jik n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jik h PRO 20 N 0.00 0.29 0.00 1.61 0.11 -2.00 -0.34 132.00 131.67 2jik h PRO 20 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2jik h PRO 20 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2jik h PRO 20 CO 0.00 0.19 0.00 0.43 -0.21 0.00 0.00 178.00 178.41 2jik n SER 21 N -4.45 0.00 0.00 -2.05 7.64 -1.26 -5.02 113.62 108.48 2jik n SER 21 Ca 0.15 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2jik n SER 21 Cb 0.61 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2jik n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jik n GLY 22 N 0.62 -1.43 0.16 0.23 0.00 -0.14 -4.50 105.19 100.13 2jik n GLY 22 Ca 0.05 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 2jik n GLY 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jik h LEU 23 N 0.00 0.17 -1.54 0.99 3.38 -1.91 -1.64 115.31 114.76 2jik h LEU 23 Ca 0.00 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 2jik h LEU 23 Cb 0.00 -0.05 0.10 0.00 0.09 0.00 0.00 40.66 40.80 2jik h LEU 23 CO 0.00 0.70 -0.45 0.61 0.09 0.00 0.00 178.44 179.39 2jik n GLY 24 N 0.14 -0.02 3.26 0.83 0.00 -1.26 -1.77 105.19 106.37 2jik n GLY 24 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2jik n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jik s PHE 25 N -3.21 0.31 0.05 1.61 -0.71 -1.26 -0.84 117.98 113.92 2jik s PHE 25 Ca 0.10 -0.71 0.08 0.00 -1.04 0.00 0.00 56.93 55.36 2jik s PHE 25 Cb -0.04 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 2jik s PHE 25 CO 0.45 -0.62 -0.20 -0.80 -1.34 0.00 0.00 175.22 172.71 2jik s ASN 26 N -2.92 3.69 0.14 1.98 0.01 -0.29 -4.99 114.94 112.56 2jik s ASN 26 Ca 0.12 -0.47 0.10 0.00 -0.71 0.00 0.00 52.86 51.90 2jik s ASN 26 Cb 0.04 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 2jik s ASN 26 CO -0.05 0.25 -0.23 0.27 -1.51 0.00 0.00 177.10 175.82 2jik s ILE 27 N -0.92 2.05 0.18 0.60 -4.36 -1.26 -1.35 121.20 116.14 2jik s ILE 27 Ca 0.14 -1.77 0.07 0.00 -0.26 0.00 0.00 60.65 58.83 2jik s ILE 27 Cb -0.10 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 2jik s ILE 27 CO 0.05 -0.05 -0.14 0.68 0.24 0.00 0.00 174.94 175.72 2jik s VAL 28 N -1.35 1.60 0.00 8.37 -7.23 -0.24 -4.88 120.40 116.67 2jik s VAL 28 Ca 0.13 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2jik s VAL 28 Cb -0.09 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.91 2jik s VAL 28 CO 0.06 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2jik n GLY 29 N -0.21 0.81 0.00 2.32 0.00 -1.25 -0.99 105.19 105.87 2jik n GLY 29 Ca -0.09 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2jik n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jik n GLY 30 N -0.73 3.62 0.30 -0.02 0.00 -1.06 -4.02 105.19 103.29 2jik n GLY 30 Ca 0.00 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.41 2jik n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jik h THR 31 N 0.60 0.53 -0.02 2.61 1.35 -1.39 -2.27 112.91 114.32 2jik h THR 31 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jik h THR 31 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2jik h THR 31 CO 0.00 0.00 -0.25 -0.90 -0.25 0.00 0.00 175.52 174.12 2jik n ASP 32 N -3.86 2.03 -3.05 5.36 5.75 -1.26 -4.62 116.55 116.90 2jik n ASP 32 Ca -0.02 -1.51 -0.15 0.00 -0.01 0.00 0.00 54.79 53.09 2jik n ASP 32 Cb 0.12 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2jik n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jik n GLN 33 N 0.29 0.99 -1.91 0.11 6.02 -0.88 -5.01 117.38 116.99 2jik n GLN 33 Ca 0.09 -2.96 -0.42 0.00 -0.01 0.00 0.00 57.00 53.69 2jik n GLN 33 Cb 0.41 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 2jik n GLN 33 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jik s GLN 34 N -1.66 4.20 0.32 -1.09 -0.21 -1.06 -3.46 119.66 116.70 2jik s GLN 34 Ca 0.35 2.37 0.01 0.00 0.02 0.00 0.00 55.36 58.11 2jik s GLN 34 Cb 0.33 -3.41 0.53 0.00 1.00 0.00 0.00 33.01 31.46 2jik s GLN 34 CO -0.07 -0.69 1.89 -0.92 -2.12 0.00 0.00 175.29 173.38 2jik h TYR 35 N 7.72 0.74 -4.08 0.91 3.20 -1.83 -3.42 116.97 120.20 2jik h TYR 35 Ca -0.43 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.22 2jik h TYR 35 Cb 1.20 -0.23 -0.15 0.00 1.54 0.00 0.00 36.73 39.10 2jik h TYR 35 CO 0.73 0.60 -0.68 0.14 -1.64 0.00 0.00 178.16 177.31 2jik s VAL 36 N -5.27 0.40 0.18 1.81 -7.23 -1.26 -5.09 120.40 103.95 2jik s VAL 36 Ca -0.09 -1.88 -0.33 0.00 -1.81 0.00 0.00 61.98 57.87 2jik s VAL 36 Cb 0.16 -1.70 -0.14 0.00 0.56 0.00 0.00 36.38 35.27 2jik s VAL 36 CO 0.78 -0.84 1.54 -0.24 -0.31 0.00 0.00 175.10 176.02 2jik n SER 37 N 0.00 3.02 -0.28 4.85 2.88 -1.26 -1.81 113.62 121.03 2jik n SER 37 Ca -0.12 1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 58.49 2jik n SER 37 Cb 0.61 -1.43 -0.02 0.00 -0.75 0.00 0.00 64.21 62.63 2jik n SER 37 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jik n ASN 38 N 3.08 -3.88 -3.91 -3.46 5.15 -1.26 -5.01 115.26 105.96 2jik n ASN 38 Ca 0.15 0.09 -0.30 0.00 -0.60 0.00 0.00 54.58 53.92 2jik n ASN 38 Cb 0.29 -1.71 -0.16 0.00 -0.53 0.00 0.00 39.78 37.68 2jik n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jik s ASP 39 N -2.50 3.79 -0.03 1.20 -1.08 -0.75 -5.00 116.67 112.31 2jik s ASP 39 Ca 0.00 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.00 2jik s ASP 39 Cb 0.00 -1.12 0.48 0.00 -1.46 0.00 0.00 42.92 40.81 2jik s ASP 39 CO 0.00 -0.25 1.38 -1.20 0.52 0.00 0.00 175.17 175.62 2jik n SER 40 N 4.70 3.01 -4.74 -0.34 7.64 -1.26 -3.23 113.62 119.40 2jik n SER 40 Ca -0.11 -2.10 -0.33 0.00 1.01 0.00 0.00 58.87 57.34 2jik n SER 40 Cb 0.44 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.33 2jik n SER 40 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jik s GLY 41 N -0.93 2.09 -0.24 0.23 0.00 -1.26 -2.55 107.32 104.65 2jik s GLY 41 Ca 0.35 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.57 2jik s GLY 41 CO 0.22 0.99 0.22 -0.42 0.00 0.00 0.00 173.10 174.11 2jik s ILE 42 N -2.35 5.31 0.10 0.90 -1.09 -1.26 -3.45 121.20 119.36 2jik s ILE 42 Ca 0.68 0.29 0.08 0.00 -2.23 0.00 0.00 60.65 59.48 2jik s ILE 42 Cb -0.23 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2jik s ILE 42 CO 0.47 0.31 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.97 2jik s TYR 43 N 1.25 1.76 -0.20 3.97 2.02 -0.16 -0.58 117.35 125.40 2jik s TYR 43 Ca 0.10 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 2jik s TYR 43 Cb -0.14 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 2jik s TYR 43 CO 0.06 0.20 1.01 0.08 -1.57 0.00 0.00 175.55 175.33 2jik s VAL 44 N -1.20 4.72 -0.17 0.71 1.01 0.20 -1.08 120.40 124.59 2jik s VAL 44 Ca 0.06 1.98 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 2jik s VAL 44 Cb -0.10 -4.29 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 2jik s VAL 44 CO 0.04 -0.12 0.14 -1.54 0.00 0.00 0.00 175.10 173.62 2jik n SER 45 N 5.95 1.86 -3.79 3.32 3.41 -0.46 -0.45 113.62 123.46 2jik n SER 45 Ca 0.10 0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2jik n SER 45 Cb 0.47 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 2jik n SER 45 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jik s ARG 46 N -2.54 0.35 -0.16 4.33 3.52 -1.24 -4.75 118.95 118.46 2jik s ARG 46 Ca -0.25 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2jik s ARG 46 Cb 0.08 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2jik s ARG 46 CO 0.71 -0.06 -0.16 0.42 -0.81 0.00 0.00 175.30 175.41 2jik s ILE 47 N -0.18 2.61 0.12 4.11 1.01 -1.26 -1.13 121.20 126.48 2jik s ILE 47 Ca -0.03 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 2jik s ILE 47 Cb -0.03 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 2jik s ILE 47 CO 0.01 0.51 0.73 -0.54 0.00 0.00 0.00 174.94 175.65 2jik s LYS 48 N 0.88 4.47 0.42 2.79 1.02 -0.02 -5.01 119.74 124.29 2jik s LYS 48 Ca -0.04 1.04 -0.26 0.00 0.02 0.00 0.00 55.97 56.73 2jik s LYS 48 Cb -0.15 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.79 2jik s LYS 48 CO -0.01 0.53 1.31 0.39 -0.92 0.00 0.00 175.35 176.66 2jik n GLU 49 N 1.85 2.05 -0.94 1.68 1.02 -1.26 -3.20 120.64 121.83 2jik n GLU 49 Ca -0.06 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2jik n GLU 49 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 2jik n GLU 49 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jik n ASN 50 N 0.21 -0.47 -4.83 1.62 5.03 -1.26 -5.02 115.26 110.53 2jik n ASN 50 Ca 0.06 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.27 2jik n ASN 50 Cb 0.39 -0.43 0.07 0.00 -1.02 0.00 0.00 39.78 38.80 2jik n ASN 50 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jik s GLY 51 N -2.00 1.76 0.21 7.41 0.00 -1.20 -4.83 107.32 108.67 2jik s GLY 51 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 2jik s GLY 51 CO 0.00 -0.83 1.84 0.00 0.00 0.00 0.00 173.10 174.11 2jik h ALA 52 N -0.44 1.02 -0.71 3.20 0.00 -1.14 -2.14 119.26 119.05 2jik h ALA 52 Ca -0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2jik h ALA 52 Cb 1.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jik h ALA 52 CO 0.52 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.60 2jik h ALA 53 N 1.24 0.92 -0.40 0.00 0.00 -1.62 -1.66 119.26 117.73 2jik h ALA 53 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jik h ALA 53 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jik h ALA 53 CO -0.05 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 2jik h ALA 54 N 1.15 0.53 -0.82 0.00 0.00 -1.71 -1.66 119.26 116.75 2jik h ALA 54 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jik h ALA 54 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jik h ALA 54 CO -0.03 0.31 0.47 -0.07 0.00 0.00 0.00 179.25 179.94 2jik h LEU 55 N 0.53 1.00 -0.67 0.00 4.07 -1.13 -2.78 115.31 116.34 2jik h LEU 55 Ca 0.11 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 2jik h LEU 55 Cb 0.48 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2jik h LEU 55 CO 0.02 0.80 -0.14 -0.78 -1.08 0.00 0.00 178.44 177.25 2jik h ASP 56 N 1.13 0.89 0.00 -0.43 3.58 -1.24 -3.47 116.42 116.88 2jik h ASP 56 Ca 0.29 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jik h ASP 56 Cb -0.00 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2jik h ASP 56 CO -0.05 1.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2jik n GLY 57 N -0.31 2.36 0.14 -0.78 0.00 -0.63 -4.90 105.19 101.08 2jik n GLY 57 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2jik n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jik h ARG 58 N 2.46 0.45 -6.86 1.61 3.08 -1.89 -3.45 114.38 109.77 2jik h ARG 58 Ca 0.00 -0.65 -0.53 0.00 0.07 0.00 0.00 59.98 58.87 2jik h ARG 58 Cb 0.00 0.23 0.07 0.00 0.08 0.00 0.00 29.97 30.34 2jik h ARG 58 CO 0.00 1.29 0.67 -1.17 -1.07 0.00 0.00 179.97 179.69 2jik s LEU 59 N -7.53 4.41 0.06 3.04 2.96 -1.26 -5.01 118.68 115.33 2jik s LEU 59 Ca -0.07 2.72 0.08 0.00 -0.22 0.00 0.00 54.13 56.64 2jik s LEU 59 Cb 0.06 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2jik s LEU 59 CO 0.91 -0.60 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.03 2jik s GLN 60 N -1.59 1.38 0.25 1.98 -1.52 -1.26 -4.96 119.66 113.93 2jik s GLN 60 Ca 0.51 -1.00 -0.30 0.00 -1.95 0.00 0.00 55.36 52.61 2jik s GLN 60 Cb -0.41 -1.53 -0.10 0.00 -0.22 0.00 0.00 33.01 30.74 2jik s GLN 60 CO 0.52 0.39 1.51 -1.21 -0.25 0.00 0.00 175.29 176.25 2jik s GLU 61 N -1.33 4.22 0.00 2.91 2.02 -1.26 -1.56 118.70 123.69 2jik s GLU 61 Ca 0.08 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2jik s GLU 61 Cb -0.09 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2jik s GLU 61 CO 0.02 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.20 2jik n GLY 62 N 2.45 0.56 3.77 -1.39 0.00 0.40 -4.99 105.19 105.99 2jik n GLY 62 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2jik n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jik s ASP 63 N -2.42 5.97 -0.11 1.61 1.01 -0.60 -4.64 116.67 117.50 2jik s ASP 63 Ca 0.00 2.90 -0.18 0.00 0.71 0.00 0.00 52.55 55.98 2jik s ASP 63 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2jik s ASP 63 CO 0.00 -1.11 0.48 -0.75 0.21 0.00 0.00 175.17 174.00 2jik s LYS 64 N -2.39 4.32 -0.31 8.23 2.20 -0.49 -0.63 119.74 130.67 2jik s LYS 64 Ca 0.60 0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 56.50 2jik s LYS 64 Cb -0.43 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2jik s LYS 64 CO 0.56 0.19 0.42 0.42 -0.36 0.00 0.00 175.35 176.58 2jik s ILE 65 N 0.52 5.12 -0.12 5.43 1.01 0.25 -0.73 121.20 132.67 2jik s ILE 65 Ca 0.26 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.33 2jik s ILE 65 Cb -0.15 -3.82 -0.24 0.00 0.01 0.00 0.00 42.46 38.26 2jik s ILE 65 CO 0.11 -0.02 0.37 0.18 0.00 0.00 0.00 174.94 175.57 2jik n LEU 66 N 5.48 1.98 -3.68 2.97 4.77 0.23 -4.54 117.00 124.21 2jik n LEU 66 Ca -0.07 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2jik n LEU 66 Cb 0.50 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2jik n LEU 66 CO 0.40 0.70 0.14 -0.55 -1.33 0.00 0.00 177.39 176.76 2jik s SER 67 N -6.59 -0.29 -0.09 -1.43 0.15 -1.14 -1.31 113.70 103.00 2jik s SER 67 Ca -0.18 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 2jik s SER 67 Cb 0.07 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2jik s SER 67 CO 0.77 -0.58 -0.05 -0.69 1.20 0.00 0.00 173.24 173.89 2jik s VAL 68 N -1.92 0.74 -1.65 4.45 1.01 -0.37 -1.83 120.40 120.83 2jik s VAL 68 Ca -0.09 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 2jik s VAL 68 Cb -0.02 -0.80 0.13 0.00 0.00 0.00 0.00 36.38 35.69 2jik s VAL 68 CO 0.01 0.31 0.85 0.59 0.00 0.00 0.00 175.10 176.86 2jik n ASN 69 N 4.82 -3.72 0.00 3.32 3.02 0.53 -0.84 115.26 122.39 2jik n ASN 69 Ca -0.13 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2jik n ASN 69 Cb 0.50 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 2jik n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jik n GLY 70 N -1.50 0.83 3.58 7.41 0.00 -1.26 -5.01 105.19 109.24 2jik n GLY 70 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2jik n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jik s GLN 71 N -0.01 3.93 0.37 1.61 -0.21 -0.02 -5.07 119.66 120.25 2jik s GLN 71 Ca 0.00 -0.34 -0.26 0.00 0.02 0.00 0.00 55.36 54.78 2jik s GLN 71 Cb 0.00 -3.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.38 2jik s GLN 71 CO 0.00 -0.09 1.14 -0.51 -2.12 0.00 0.00 175.29 173.71 2jik s ASP 72 N 1.48 6.76 -0.46 5.90 1.01 -1.26 -1.24 116.67 128.86 2jik s ASP 72 Ca 0.07 2.29 0.03 0.00 0.71 0.00 0.00 52.55 55.65 2jik s ASP 72 Cb -0.15 -2.61 0.48 0.00 1.01 0.00 0.00 42.92 41.64 2jik s ASP 72 CO 0.07 -0.50 1.63 0.18 0.21 0.00 0.00 175.17 176.76 2jik n LEU 73 N 0.37 6.09 -4.68 1.23 4.32 -0.42 -4.92 117.00 118.98 2jik n LEU 73 Ca 0.03 -4.35 -0.38 0.00 -0.02 0.00 0.00 56.01 51.29 2jik n LEU 73 Cb 0.46 -0.68 -0.07 0.00 -1.62 0.00 0.00 43.42 41.51 2jik n LEU 73 CO 0.51 1.65 0.14 -0.54 -1.22 0.00 0.00 177.39 177.94 2jik s LYS 74 N -3.63 4.22 -1.44 3.23 1.02 -1.26 -4.50 119.74 117.38 2jik s LYS 74 Ca 0.56 0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.83 2jik s LYS 74 Cb 0.46 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 2jik s LYS 74 CO 0.02 -0.01 0.50 0.09 -0.92 0.00 0.00 175.35 175.03 2jik n ASN 75 N 4.32 -0.91 -4.93 2.83 3.02 -1.26 -5.00 115.26 113.33 2jik n ASN 75 Ca -0.07 -0.98 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 2jik n ASN 75 Cb 0.51 -3.13 -0.04 0.00 -0.61 0.00 0.00 39.78 36.51 2jik n ASN 75 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jik s LEU 76 N -6.99 4.32 0.65 3.41 1.43 -1.26 -4.88 118.68 115.35 2jik s LEU 76 Ca 0.12 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.33 2jik s LEU 76 Cb -0.06 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2jik s LEU 76 CO 0.88 0.07 1.22 0.18 0.23 0.00 0.00 176.35 178.94 2jik n LEU 77 N -0.22 5.52 -0.18 1.79 4.77 -1.26 -1.47 117.00 125.94 2jik n LEU 77 Ca -0.05 0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 56.73 2jik n LEU 77 Cb 0.53 -1.52 0.07 0.00 -2.33 0.00 0.00 43.42 40.17 2jik n LEU 77 CO 0.50 -1.21 0.81 -0.74 -1.33 0.00 0.00 177.39 175.42 2jik h HIS 78 N 0.46 -0.12 -0.26 -1.77 -0.00 -1.88 -1.69 115.15 109.89 2jik h HIS 78 Ca -0.50 0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 59.81 2jik h HIS 78 Cb 1.34 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 2jik h HIS 78 CO 0.40 -0.18 -0.26 0.37 -0.00 0.00 0.00 177.93 178.27 2jik h GLN 79 N 0.08 0.50 -0.63 5.26 5.75 -1.92 -1.05 115.11 123.09 2jik h GLN 79 Ca 0.28 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2jik h GLN 79 Cb 0.45 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2jik h GLN 79 CO -0.51 0.72 0.15 -0.44 -2.65 0.00 0.00 178.83 176.10 2jik h ASP 80 N 0.44 0.96 0.18 -0.69 3.32 -1.75 0.49 116.42 119.36 2jik h ASP 80 Ca 0.06 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2jik h ASP 80 Cb 0.69 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2jik h ASP 80 CO 0.05 0.94 -0.17 0.00 -1.72 0.00 0.00 179.24 178.35 2jik h ALA 81 N 1.05 -0.35 -0.79 3.45 0.00 -1.00 -2.61 119.26 119.01 2jik h ALA 81 Ca 0.20 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2jik h ALA 81 Cb 0.36 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2jik h ALA 81 CO 0.00 -0.72 0.41 0.28 0.00 0.00 0.00 179.25 179.23 2jik h VAL 82 N -0.37 0.81 -0.61 0.00 2.07 -0.89 -1.73 116.25 115.53 2jik h VAL 82 Ca -0.00 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2jik h VAL 82 Cb 0.35 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2jik h VAL 82 CO -0.03 0.12 0.41 0.44 0.02 0.00 0.00 177.57 178.52 2jik h ASP 83 N 0.65 0.68 -0.27 0.57 3.32 -0.72 0.08 116.42 120.74 2jik h ASP 83 Ca 0.40 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 2jik h ASP 83 Cb 0.48 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2jik h ASP 83 CO -0.30 0.49 0.17 -0.07 -1.72 0.00 0.00 179.24 177.80 2jik h LEU 84 N 0.80 0.33 0.01 1.55 3.38 -0.93 0.64 115.31 121.10 2jik h LEU 84 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2jik h LEU 84 Cb -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jik h LEU 84 CO -0.05 0.26 -0.08 -0.26 0.09 0.00 0.00 178.44 178.39 2jik h PHE 85 N 0.38 0.06 0.00 1.13 0.04 -1.24 -3.31 116.94 114.00 2jik h PHE 85 Ca 0.10 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2jik h PHE 85 Cb -0.01 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2jik h PHE 85 CO 0.00 1.00 -0.03 0.00 -0.60 0.00 0.00 178.31 178.67 2jik h ARG 86 N -0.89 0.00 -0.01 1.51 3.08 -0.71 -1.86 114.38 115.50 2jik h ARG 86 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jik h ARG 86 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2jik h ARG 86 CO 0.02 0.03 -0.14 0.09 -1.07 0.00 0.00 179.97 178.90 2jik n ASN 87 N -3.12 0.80 -4.75 7.04 3.02 0.19 -4.94 115.26 113.51 2jik n ASN 87 Ca 0.02 -0.85 -0.29 0.00 -0.03 0.00 0.00 54.58 53.43 2jik n ASN 87 Cb 0.43 0.02 0.14 0.00 -0.61 0.00 0.00 39.78 39.76 2jik n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jik s ALA 88 N -2.39 1.54 0.00 5.41 0.00 -0.70 -5.08 121.76 120.54 2jik s ALA 88 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2jik s ALA 88 Cb 0.20 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2jik s ALA 88 CO 0.47 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2jik n GLY 89 N -1.71 2.31 0.13 0.00 0.00 -1.26 -5.00 105.19 99.65 2jik n GLY 89 Ca 0.06 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.32 2jik n GLY 89 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2jik h TYR 90 N 0.00 0.00 -3.33 1.61 -0.00 -1.95 -3.43 116.97 109.87 2jik h TYR 90 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.73 58.07 2jik h TYR 90 Cb 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 36.73 36.45 2jik h TYR 90 CO 0.00 0.60 -0.75 0.00 -0.00 0.00 0.00 178.16 178.01 2jik s ALA 91 N -3.09 2.70 -0.11 0.10 0.00 -1.26 -0.23 121.76 119.86 2jik s ALA 91 Ca 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2jik s ALA 91 Cb 0.09 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.79 2jik s ALA 91 CO 0.75 -0.11 -0.08 0.08 0.00 0.00 0.00 175.76 176.39 2jik s VAL 92 N 0.94 1.06 -0.16 0.00 1.01 -0.07 -4.98 120.40 118.20 2jik s VAL 92 Ca -0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2jik s VAL 92 Cb -0.15 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2jik s VAL 92 CO -0.00 0.37 0.16 -0.94 0.00 0.00 0.00 175.10 174.68 2jik s SER 93 N 1.65 6.31 -0.04 3.32 1.04 -1.26 -0.53 113.70 124.18 2jik s SER 93 Ca 0.04 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.88 2jik s SER 93 Cb -0.13 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 2jik s SER 93 CO -0.08 0.26 -0.16 -0.76 0.98 0.00 0.00 173.24 173.48 2jik s LEU 94 N -0.19 1.91 -0.21 2.42 1.43 0.12 -0.34 118.68 123.81 2jik s LEU 94 Ca 0.12 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2jik s LEU 94 Cb -0.12 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2jik s LEU 94 CO 0.01 0.15 0.05 -0.60 0.23 0.00 0.00 176.35 176.19 2jik s ARG 95 N 0.02 3.75 0.14 1.70 3.52 -0.76 -0.25 118.95 127.07 2jik s ARG 95 Ca -0.03 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.20 2jik s ARG 95 Cb -0.11 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2jik s ARG 95 CO 0.02 0.03 -0.18 0.14 -0.81 0.00 0.00 175.30 174.49 2jik s VAL 96 N 1.02 1.71 -0.30 7.11 -7.23 -0.38 -0.60 120.40 121.73 2jik s VAL 96 Ca 0.03 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 2jik s VAL 96 Cb -0.14 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2jik s VAL 96 CO 0.03 -0.28 0.10 -1.58 -0.31 0.00 0.00 175.10 173.05 2jik s GLN 97 N -2.59 3.14 0.09 4.82 0.74 0.09 -1.29 119.66 124.65 2jik s GLN 97 Ca 0.13 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 2jik s GLN 97 Cb -0.06 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 2jik s GLN 97 CO 0.06 -0.44 1.00 -1.01 -0.55 0.00 0.00 175.29 174.34 2jik s HIS 98 N 1.53 3.72 -0.09 1.67 3.76 -0.00 -1.40 115.29 124.48 2jik s HIS 98 Ca 0.03 1.72 0.02 0.00 -0.15 0.00 0.00 55.06 56.68 2jik s HIS 98 Cb -0.17 -3.12 0.01 0.00 1.11 0.00 0.00 32.58 30.41 2jik s HIS 98 CO 0.03 -0.04 -0.14 1.03 -0.85 0.00 0.00 174.74 174.77 2jik s ARG 99 N 0.28 2.00 0.31 1.40 0.52 -1.26 -1.48 118.95 120.72 2jik s ARG 99 Ca 0.49 -0.50 0.13 0.00 -0.52 0.00 0.00 55.73 55.33 2jik s ARG 99 Cb -0.24 -1.67 0.48 0.00 0.52 0.00 0.00 34.95 34.04 2jik s ARG 99 CO 0.30 0.00 1.66 -0.07 0.02 0.00 0.00 175.30 177.21 2jik h LEU 100 N 7.15 0.00-10.04 2.53 3.38 -1.49 -3.45 115.31 113.39 2jik h LEU 100 Ca -0.29 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.21 2jik h LEU 100 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jik h LEU 100 CO 0.47 0.53 0.20 -1.61 0.09 0.00 0.00 178.44 178.12 2jik s GLU 101 N -3.63 4.09 0.04 1.13 2.02 -1.26 -5.08 118.70 116.01 2jik s GLU 101 Ca -0.01 0.85 0.08 0.00 0.02 0.00 0.00 54.97 55.91 2jik s GLU 101 Cb 0.12 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 2jik s GLU 101 CO 0.74 0.08 -0.24 -1.12 0.02 0.00 0.00 175.26 174.73 2jik s SER 102 N -2.26 2.88 -0.01 -0.19 0.01 -1.26 -5.06 113.70 107.82 2jik s SER 102 Ca 0.57 -0.56 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 2jik s SER 102 Cb -0.10 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 2jik s SER 102 CO 0.16 0.22 0.55 -0.44 0.41 0.00 0.00 173.24 174.13 2jik s SER 103 N -1.21 6.92 0.00 2.44 0.01 -1.26 -5.26 113.70 115.33 2jik s SER 103 Ca 0.10 1.09 0.08 0.00 1.31 0.00 0.00 55.95 58.53 2jik s SER 103 Cb -0.09 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.86 2jik s SER 103 CO 0.02 0.14 0.75 -0.38 0.41 0.00 0.00 173.24 174.18