#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 3.10 0.18 -1.46 0.00 -1.26 -4.81 117.12 112.87 2jik n MET 0 Ca 0.00 -3.95 0.18 0.00 0.00 0.00 0.00 57.70 53.93 2jik n MET 0 Cb 0.00 -2.27 0.81 0.00 0.00 0.00 0.00 33.22 31.76 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 2.65 0.00 0.51 7.83 3.32 -2.07 -1.81 116.42 126.85 2jik h ASP 6 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2jik h ASP 6 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2jik h ASP 6 CO 1.16 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.68 2jik n TYR 7 N -3.82 0.81 1.19 4.55 4.11 -1.26 -2.07 117.16 120.67 2jik n TYR 7 Ca 0.03 0.35 0.14 0.00 -0.00 0.00 0.00 57.90 58.42 2jik n TYR 7 Cb 0.37 -1.06 0.65 0.00 -0.00 0.00 0.00 39.34 39.30 2jik n TYR 7 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2jik n LEU 8 N -2.27 0.07 -4.01 -3.48 4.77 -0.68 -4.88 117.00 106.53 2jik n LEU 8 Ca 0.01 0.35 -0.16 0.00 -0.03 0.00 0.00 56.01 56.18 2jik n LEU 8 Cb 0.17 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 2jik n LEU 8 CO 0.17 0.01 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.14 2jik s VAL 9 N -2.80 0.54 0.31 4.08 1.01 -0.88 -1.22 120.40 121.44 2jik s VAL 9 Ca 0.20 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2jik s VAL 9 Cb 0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2jik s VAL 9 CO 0.51 -0.02 0.11 0.42 0.00 0.00 0.00 175.10 176.13 2jik s THR 10 N -0.53 0.64 0.12 3.92 -4.23 -0.77 -4.97 115.64 109.80 2jik s THR 10 Ca -0.01 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 2jik s THR 10 Cb -0.05 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 2jik s THR 10 CO 0.00 0.00 -0.18 -1.61 -0.54 0.00 0.00 174.62 172.29 2jik s GLU 11 N -3.88 1.10 -0.07 3.99 2.02 -1.26 -1.40 118.70 119.20 2jik s GLU 11 Ca 0.34 -1.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 2jik s GLU 11 Cb 0.06 -1.20 0.02 0.00 0.10 0.00 0.00 34.13 33.11 2jik s GLU 11 CO 0.15 0.26 0.20 -2.00 0.02 0.00 0.00 175.26 173.90 2jik s GLU 12 N -2.27 0.26 -0.12 1.61 2.12 -0.48 -4.95 118.70 114.88 2jik s GLU 12 Ca 0.08 0.23 -0.22 0.00 0.36 0.00 0.00 54.97 55.42 2jik s GLU 12 Cb -0.08 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 2jik s GLU 12 CO 0.04 -0.04 0.67 -2.00 -0.54 0.00 0.00 175.26 173.40 2jik s GLU 13 N -0.02 4.36 -0.08 4.30 2.56 -1.26 -1.24 118.70 127.32 2jik s GLU 13 Ca -0.01 0.78 0.03 0.00 0.00 0.00 0.00 54.97 55.77 2jik s GLU 13 Cb -0.02 -3.49 0.01 0.00 2.00 0.00 0.00 34.13 32.63 2jik s GLU 13 CO 0.00 -0.04 -0.17 0.42 -0.56 0.00 0.00 175.26 174.91 2jik s ILE 14 N 1.20 1.53 -0.19 -3.70 1.01 -0.24 -4.99 121.20 115.81 2jik s ILE 14 Ca 0.34 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2jik s ILE 14 Cb -0.17 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 40.98 2jik s ILE 14 CO 0.15 0.44 -0.18 0.20 0.00 0.00 0.00 174.94 175.55 2jik s ASN 15 N 0.50 3.37 0.07 3.58 0.01 -1.26 -0.06 114.94 121.15 2jik s ASN 15 Ca -0.16 -0.79 0.05 0.00 -0.71 0.00 0.00 52.86 51.26 2jik s ASN 15 Cb -0.17 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 2jik s ASN 15 CO 0.06 -0.04 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.78 2jik s LEU 16 N 1.26 3.13 -0.22 0.60 1.43 0.09 -4.95 118.68 120.00 2jik s LEU 16 Ca 0.02 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2jik s LEU 16 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2jik s LEU 16 CO -0.12 0.21 0.09 -0.89 0.23 0.00 0.00 176.35 175.88 2jik s THR 17 N -1.15 4.72 0.26 5.49 2.01 -1.26 -0.53 115.64 125.19 2jik s THR 17 Ca 0.20 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 2jik s THR 17 Cb -0.11 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 2jik s THR 17 CO 0.12 0.38 1.51 -0.60 -0.69 0.00 0.00 174.62 175.34 2jik s ARG 18 N 1.07 4.20 0.71 4.92 3.52 0.12 -4.86 118.95 128.64 2jik s ARG 18 Ca 0.05 2.42 -0.00 0.00 -0.13 0.00 0.00 55.73 58.06 2jik s ARG 18 Cb -0.14 -3.08 0.12 0.00 -1.56 0.00 0.00 34.95 30.29 2jik s ARG 18 CO 0.04 -0.52 0.98 0.20 -0.81 0.00 0.00 175.30 175.18 2jik s GLY 19 N 0.46 1.76 0.00 8.12 0.00 -0.64 -4.94 107.32 112.09 2jik s GLY 19 Ca 0.62 -1.72 0.17 0.00 0.00 0.00 0.00 44.72 43.79 2jik s GLY 19 CO 0.44 -1.17 1.43 -1.55 0.00 0.00 0.00 173.10 172.26 2jik n PRO 20 N -2.79 0.58 -0.02 2.90 -0.04 -1.26 -1.72 135.00 132.65 2jik n PRO 20 Ca 0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2jik n PRO 20 Cb 0.61 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2jik n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jik n SER 21 N -0.96 1.93 0.00 3.54 3.41 -1.26 -5.13 113.62 115.14 2jik n SER 21 Ca 0.13 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2jik n SER 21 Cb 0.06 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2jik n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jik n GLY 22 N -0.66 -0.69 0.12 5.00 0.00 -0.70 -4.59 105.19 103.68 2jik n GLY 22 Ca 0.03 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 -0.48 0.99 3.38 -1.93 -1.69 115.31 115.59 2jik h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jik h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jik h LEU 23 CO 0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2jik n GLY 24 N 1.29 0.92 3.28 0.83 0.00 -1.26 -0.92 105.19 109.33 2jik n GLY 24 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.48 0.09 0.08 1.61 -0.71 -1.26 -0.81 117.98 114.51 2jik s PHE 25 Ca 0.00 -0.48 0.05 0.00 -1.04 0.00 0.00 56.93 55.46 2jik s PHE 25 Cb 0.00 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2jik s PHE 25 CO 0.00 -0.64 -0.00 -0.80 -1.34 0.00 0.00 175.22 172.44 2jik s ASN 26 N -2.87 5.03 0.07 1.98 0.01 -0.19 -4.98 114.94 114.00 2jik s ASN 26 Ca 0.07 -0.17 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2jik s ASN 26 Cb 0.03 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 2jik s ASN 26 CO -0.09 0.18 -0.25 0.27 -1.51 0.00 0.00 177.10 175.71 2jik s ILE 27 N -1.30 2.00 0.34 0.60 -4.36 -1.26 -1.25 121.20 115.97 2jik s ILE 27 Ca 0.25 -1.43 0.10 0.00 -0.26 0.00 0.00 60.65 59.31 2jik s ILE 27 Cb -0.12 -1.74 -0.06 0.00 1.25 0.00 0.00 42.46 41.79 2jik s ILE 27 CO 0.18 0.23 -0.10 0.68 0.24 0.00 0.00 174.94 176.16 2jik s VAL 28 N -0.89 2.24 0.00 8.37 -7.23 -0.04 -4.85 120.40 118.00 2jik s VAL 28 Ca 0.11 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2jik s VAL 28 Cb -0.10 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2jik s VAL 28 CO 0.03 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2jik n GLY 29 N -0.77 -0.02 0.00 2.32 0.00 -1.26 -1.00 105.19 104.45 2jik n GLY 29 Ca -0.05 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 2.48 0.28 -0.02 0.00 -0.66 -4.01 105.19 103.27 2jik n GLY 30 Ca 0.00 -1.97 0.19 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 -0.04 2.61 1.35 -1.04 -0.65 112.91 115.13 2jik h THR 31 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jik h THR 31 Cb 0.00 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2jik h THR 31 CO 0.00 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.37 2jik n ASP 32 N -2.90 1.19 -0.02 5.36 5.68 -1.26 -3.71 116.55 120.89 2jik n ASP 32 Ca -0.01 -1.45 0.02 0.00 -0.50 0.00 0.00 54.79 52.84 2jik n ASP 32 Cb 0.14 -0.02 0.03 0.00 -1.14 0.00 0.00 41.12 40.12 2jik n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jik n GLN 33 N -0.05 2.47 0.29 0.11 6.02 -0.26 -4.72 117.38 121.24 2jik n GLN 33 Ca 0.19 -1.65 0.16 0.00 -0.01 0.00 0.00 57.00 55.69 2jik n GLN 33 Cb 0.29 -1.06 0.86 0.00 1.02 0.00 0.00 30.24 31.35 2jik n GLN 33 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2jik h GLN 34 N 0.00 0.00 -2.29 -1.09 4.15 -1.61 -3.45 115.11 110.83 2jik h GLN 34 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jik h GLN 34 Cb 0.63 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2jik h GLN 34 CO 0.00 0.06 0.11 2.48 -1.93 0.00 0.00 178.83 179.55 2jik n TYR 35 N -3.51 0.00 -0.41 3.99 4.11 -1.26 -4.92 117.16 115.16 2jik n TYR 35 Ca -0.02 -0.27 -0.15 0.00 -0.00 0.00 0.00 57.90 57.47 2jik n TYR 35 Cb 0.18 -0.44 0.02 0.00 -0.00 0.00 0.00 39.34 39.10 2jik n TYR 35 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2jik n ASP 39 N 2.26 -2.40 -0.54 9.48 5.68 -1.26 -5.22 116.55 124.54 2jik n ASP 39 Ca 0.04 0.07 0.05 0.00 -0.50 0.00 0.00 54.79 54.45 2jik n ASP 39 Cb 0.15 -0.30 0.12 0.00 -1.14 0.00 0.00 41.12 39.94 2jik n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jik n SER 40 N 1.43 2.63 -4.63 -1.12 3.41 -1.26 -4.76 113.62 109.33 2jik n SER 40 Ca -0.01 -1.88 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 2jik n SER 40 Cb 0.23 -0.17 0.19 0.00 -0.26 0.00 0.00 64.21 64.21 2jik n SER 40 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jik s GLY 41 N -0.97 1.57 -0.21 5.00 0.00 -1.26 -1.65 107.32 109.79 2jik s GLY 41 Ca 0.19 -0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 2jik s GLY 41 CO 0.14 0.38 0.30 -0.42 0.00 0.00 0.00 173.10 173.50 2jik s ILE 42 N -2.81 5.27 0.09 0.90 -1.09 -1.26 -3.10 121.20 119.19 2jik s ILE 42 Ca 0.66 0.49 0.07 0.00 -2.23 0.00 0.00 60.65 59.64 2jik s ILE 42 Cb -0.20 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2jik s ILE 42 CO 0.60 0.30 -0.19 -0.31 -1.23 0.00 0.00 174.94 174.10 2jik s TYR 43 N 1.16 1.67 -0.24 3.97 2.02 -0.17 -0.66 117.35 125.08 2jik s TYR 43 Ca 0.14 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 2jik s TYR 43 Cb -0.14 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.50 2jik s TYR 43 CO 0.06 0.17 1.11 0.08 -1.57 0.00 0.00 175.55 175.40 2jik s VAL 44 N -1.16 4.51 -0.11 0.71 1.01 0.06 -0.86 120.40 124.57 2jik s VAL 44 Ca 0.05 1.80 0.16 0.00 0.00 0.00 0.00 61.98 63.99 2jik s VAL 44 Cb -0.10 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.80 2jik s VAL 44 CO 0.04 -0.27 0.51 -1.54 0.00 0.00 0.00 175.10 173.84 2jik n SER 45 N 6.62 0.55 -3.66 3.32 3.41 -0.38 -0.70 113.62 122.78 2jik n SER 45 Ca 0.13 0.26 -0.14 0.00 -0.26 0.00 0.00 58.87 58.85 2jik n SER 45 Cb 0.46 0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.70 0.73 -0.16 4.33 6.06 -1.24 -4.82 118.95 121.15 2jik s ARG 46 Ca -0.06 0.59 -0.02 0.00 -2.50 0.00 0.00 55.73 53.74 2jik s ARG 46 Cb 0.08 0.35 -0.01 0.00 0.06 0.00 0.00 34.95 35.43 2jik s ARG 46 CO 0.83 -0.13 -0.09 0.42 -2.50 0.00 0.00 175.30 173.82 2jik s ILE 47 N -0.14 3.25 0.16 4.11 1.01 -1.26 -1.02 121.20 127.31 2jik s ILE 47 Ca -0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 2jik s ILE 47 Cb -0.03 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 2jik s ILE 47 CO 0.03 0.49 1.14 -0.54 0.00 0.00 0.00 174.94 176.06 2jik s LYS 48 N 0.73 4.54 0.30 2.79 3.01 0.01 -4.98 119.74 126.14 2jik s LYS 48 Ca -0.04 1.77 -0.30 0.00 -1.01 0.00 0.00 55.97 56.39 2jik s LYS 48 Cb -0.15 -3.28 -0.12 0.00 -1.01 0.00 0.00 37.83 33.27 2jik s LYS 48 CO 0.02 -0.03 1.45 -1.91 0.51 0.00 0.00 175.35 175.39 2jik n GLU 49 N 2.66 2.36 -1.37 1.68 4.07 -1.26 -2.16 120.64 126.62 2jik n GLU 49 Ca 0.04 0.83 -0.14 0.00 -0.06 0.00 0.00 57.16 57.84 2jik n GLU 49 Cb 0.46 -2.52 -0.06 0.00 -0.06 0.00 0.00 31.44 29.26 2jik n GLU 49 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jik n ASN 50 N 1.56 -5.04 -4.81 4.31 5.03 -1.26 -4.98 115.26 110.07 2jik n ASN 50 Ca 0.07 0.34 -0.24 0.00 0.87 0.00 0.00 54.58 55.62 2jik n ASN 50 Cb 0.35 -4.07 0.08 0.00 -1.02 0.00 0.00 39.78 35.12 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 -2.37 1.76 0.17 7.41 0.00 -0.92 -4.85 107.32 108.52 2jik s GLY 51 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 2jik s GLY 51 CO 0.00 -0.89 1.79 0.00 0.00 0.00 0.00 173.10 174.00 2jik h ALA 52 N -0.43 0.58 -0.83 3.20 0.00 -1.77 -0.37 119.26 119.64 2jik h ALA 52 Ca -0.41 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2jik h ALA 52 Cb 1.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2jik h ALA 52 CO 0.50 -0.08 0.39 0.00 0.00 0.00 0.00 179.25 180.05 2jik h ALA 53 N 1.23 1.12 -0.31 0.00 0.00 -1.29 -1.60 119.26 118.42 2jik h ALA 53 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jik h ALA 53 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jik h ALA 53 CO -0.11 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.86 2jik h ALA 54 N 1.24 0.41 -0.58 0.00 0.00 -1.62 -1.99 119.26 116.71 2jik h ALA 54 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jik h ALA 54 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jik h ALA 54 CO -0.03 0.08 0.16 -0.07 0.00 0.00 0.00 179.25 179.39 2jik h LEU 55 N 0.33 0.82 -0.55 0.00 3.38 -0.79 -2.34 115.31 116.17 2jik h LEU 55 Ca 0.10 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2jik h LEU 55 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jik h LEU 55 CO 0.00 0.79 -0.07 -0.78 0.09 0.00 0.00 178.44 178.48 2jik h ASP 56 N 0.86 1.00 0.00 -0.43 3.58 -1.26 -3.48 116.42 116.70 2jik h ASP 56 Ca 0.19 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2jik h ASP 56 Cb 0.28 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jik h ASP 56 CO -0.01 1.10 0.00 0.61 -2.88 0.00 0.00 179.24 178.07 2jik n GLY 57 N -0.31 2.17 0.13 -0.78 0.00 -0.75 -4.91 105.19 100.73 2jik n GLY 57 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 2.83 0.35 -6.89 1.61 3.08 -1.87 -3.46 114.38 110.02 2jik h ARG 58 Ca 0.00 -0.60 -0.52 0.00 0.07 0.00 0.00 59.98 58.93 2jik h ARG 58 Cb 0.00 0.22 0.07 0.00 0.08 0.00 0.00 29.97 30.34 2jik h ARG 58 CO 0.00 1.24 0.63 -1.17 -1.07 0.00 0.00 179.97 179.60 2jik s LEU 59 N -7.20 4.38 0.06 3.04 2.96 -1.26 -5.02 118.68 115.65 2jik s LEU 59 Ca -0.11 2.67 0.07 0.00 -0.22 0.00 0.00 54.13 56.54 2jik s LEU 59 Cb 0.06 -3.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 2jik s LEU 59 CO 0.87 -0.59 -0.20 -1.10 -1.32 0.00 0.00 176.35 174.01 2jik s GLN 60 N -1.89 1.23 0.29 1.98 -1.52 -1.26 -4.94 119.66 113.55 2jik s GLN 60 Ca 0.50 -0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 2jik s GLN 60 Cb -0.39 -1.37 -0.12 0.00 -0.22 0.00 0.00 33.01 30.91 2jik s GLN 60 CO 0.52 0.34 1.54 -1.91 -0.25 0.00 0.00 175.29 175.53 2jik n GLU 61 N 1.64 2.55 0.00 2.91 2.13 -1.26 -1.39 120.64 127.22 2jik n GLU 61 Ca -0.18 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2jik n GLU 61 Cb 0.54 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2jik n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jik n GLY 62 N 1.98 1.46 3.77 8.31 0.00 0.13 -4.99 105.19 115.86 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 -2.48 6.23 -0.01 1.61 1.01 -0.48 -4.63 116.67 117.92 2jik s ASP 63 Ca 0.00 2.95 -0.20 0.00 0.71 0.00 0.00 52.55 56.01 2jik s ASP 63 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2jik s ASP 63 CO 0.00 -0.94 0.59 -0.75 0.21 0.00 0.00 175.17 174.29 2jik s LYS 64 N -2.19 4.32 -0.31 8.23 2.20 -0.50 -0.76 119.74 130.73 2jik s LYS 64 Ca 0.55 0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 56.79 2jik s LYS 64 Cb -0.44 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2jik s LYS 64 CO 0.59 0.36 0.16 0.42 -0.36 0.00 0.00 175.35 176.52 2jik s ILE 65 N -0.16 4.67 -0.01 5.43 1.01 0.16 -0.79 121.20 131.51 2jik s ILE 65 Ca 0.31 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.61 2jik s ILE 65 Cb -0.18 -3.37 -0.25 0.00 0.01 0.00 0.00 42.46 38.67 2jik s ILE 65 CO 0.17 0.07 0.81 -0.07 0.00 0.00 0.00 174.94 175.92 2jik h LEU 66 N 8.36 0.19 -7.21 2.97 3.38 -1.02 -3.40 115.31 118.57 2jik h LEU 66 Ca -0.32 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.28 2jik h LEU 66 Cb 1.15 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 2jik h LEU 66 CO 0.61 1.26 0.03 -0.55 0.09 0.00 0.00 178.44 179.88 2jik s SER 67 N -6.63 -0.43 -0.10 -0.43 0.15 -1.19 -1.48 113.70 103.59 2jik s SER 67 Ca -0.07 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2jik s SER 67 Cb 0.08 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2jik s SER 67 CO 0.83 -0.71 -0.08 0.54 1.20 0.00 0.00 173.24 175.02 2jik s VAL 68 N -2.44 0.96 -1.68 4.45 0.11 -0.38 -1.91 120.40 119.51 2jik s VAL 68 Ca -0.05 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 2jik s VAL 68 Cb -0.01 -0.97 0.14 0.00 -1.53 0.00 0.00 36.38 34.01 2jik s VAL 68 CO -0.02 0.35 0.68 0.59 -3.33 0.00 0.00 175.10 173.37 2jik n ASN 69 N 4.68 -2.52 0.00 3.54 3.02 0.58 -0.92 115.26 123.64 2jik n ASN 69 Ca -0.15 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2jik n ASN 69 Cb 0.50 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 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 -1.51 0.66 3.53 7.41 0.00 -1.26 -5.01 105.19 109.01 2jik n GLY 70 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.81 0.47 1.61 -0.21 -0.10 -5.07 119.66 120.15 2jik s GLN 71 Ca 0.00 -0.41 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 2jik s GLN 71 Cb 0.00 -3.36 -0.08 0.00 1.00 0.00 0.00 33.01 30.57 2jik s GLN 71 CO 0.00 -0.06 1.10 -0.51 -2.12 0.00 0.00 175.29 173.70 2jik s ASP 72 N 1.30 6.29 -0.32 5.90 1.01 -1.26 -1.25 116.67 128.33 2jik s ASP 72 Ca 0.05 2.12 0.07 0.00 0.71 0.00 0.00 52.55 55.50 2jik s ASP 72 Cb -0.15 -2.58 0.46 0.00 1.01 0.00 0.00 42.92 41.66 2jik s ASP 72 CO 0.04 -0.83 1.34 0.18 0.21 0.00 0.00 175.17 176.11 2jik n LEU 73 N -0.65 4.68 -4.65 1.23 4.77 -0.55 -4.91 117.00 116.93 2jik n LEU 73 Ca 0.08 -4.38 -0.39 0.00 -0.03 0.00 0.00 56.01 51.29 2jik n LEU 73 Cb 0.50 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2jik n LEU 73 CO 0.44 1.77 0.21 -0.75 -1.33 0.00 0.00 177.39 177.72 2jik s LYS 74 N -3.50 4.14 -1.34 3.23 2.47 -1.26 -4.39 119.74 119.09 2jik s LYS 74 Ca 0.49 0.33 -0.01 0.00 -1.56 0.00 0.00 55.97 55.22 2jik s LYS 74 Cb 0.41 -3.59 -0.00 0.00 -1.46 0.00 0.00 37.83 33.19 2jik s LYS 74 CO 0.01 -0.20 0.57 0.09 0.16 0.00 0.00 175.35 175.98 2jik n ASN 75 N 5.00 -1.00 -4.85 1.43 3.02 -1.26 -4.99 115.26 112.62 2jik n ASN 75 Ca -0.05 -0.91 -0.24 0.00 -0.03 0.00 0.00 54.58 53.34 2jik n ASN 75 Cb 0.50 -3.57 -0.04 0.00 -0.61 0.00 0.00 39.78 36.06 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 -6.79 3.95 0.48 3.41 1.43 -1.26 -4.83 118.68 115.07 2jik s LEU 76 Ca 0.03 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 2jik s LEU 76 Cb -0.01 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 2jik s LEU 76 CO 0.85 0.02 1.30 -0.76 0.23 0.00 0.00 176.35 177.99 2jik s LEU 77 N -3.45 4.01 0.18 1.79 1.43 -1.26 -0.71 118.68 120.66 2jik s LEU 77 Ca 0.32 2.63 -0.16 0.00 -1.03 0.00 0.00 54.13 55.90 2jik s LEU 77 Cb -0.09 -4.14 0.15 0.00 0.03 0.00 0.00 46.19 42.13 2jik s LEU 77 CO 0.25 -1.18 1.66 -0.74 0.23 0.00 0.00 176.35 176.57 2jik h HIS 78 N 2.00 -0.21 -0.13 0.29 -0.00 -1.88 -1.72 115.15 113.50 2jik h HIS 78 Ca -0.50 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 59.83 2jik h HIS 78 Cb 1.27 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 2jik h HIS 78 CO 0.50 -0.19 -0.29 0.37 -0.00 0.00 0.00 177.93 178.32 2jik h GLN 79 N 0.02 0.24 -0.42 5.26 5.75 -1.91 -1.00 115.11 123.05 2jik h GLN 79 Ca 0.23 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.51 2jik h GLN 79 Cb 0.35 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2jik h GLN 79 CO -0.47 0.51 -0.29 -0.44 -2.65 0.00 0.00 178.83 175.49 2jik h ASP 80 N 0.21 0.95 -0.21 -0.69 3.32 -1.72 -0.17 116.42 118.11 2jik h ASP 80 Ca 0.03 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 2jik h ASP 80 Cb 0.63 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2jik h ASP 80 CO 0.05 1.17 0.13 0.00 -1.72 0.00 0.00 179.24 178.86 2jik h ALA 81 N 0.89 0.26 -0.55 3.45 0.00 -0.88 -2.61 119.26 119.82 2jik h ALA 81 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jik h ALA 81 Cb 0.86 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2jik h ALA 81 CO 0.08 -0.24 0.19 0.28 0.00 0.00 0.00 179.25 179.55 2jik h VAL 82 N 0.26 0.78 -0.35 0.00 2.07 -0.88 -1.32 116.25 116.81 2jik h VAL 82 Ca 0.07 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2jik h VAL 82 Cb 0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2jik h VAL 82 CO -0.01 0.07 0.15 0.44 0.02 0.00 0.00 177.57 178.23 2jik h ASP 83 N 0.36 0.44 -0.74 0.57 3.32 -0.87 -0.05 116.42 119.44 2jik h ASP 83 Ca 0.27 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2jik h ASP 83 Cb 0.32 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2jik h ASP 83 CO -0.29 0.39 0.26 -0.07 -1.72 0.00 0.00 179.24 177.82 2jik h LEU 84 N 0.50 1.06 -0.12 1.55 3.38 -0.86 -1.09 115.31 119.73 2jik h LEU 84 Ca 0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2jik h LEU 84 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2jik h LEU 84 CO -0.02 0.96 -0.17 -0.26 0.09 0.00 0.00 178.44 179.05 2jik h PHE 85 N 1.10 0.40 0.00 1.13 0.04 -1.09 -3.21 116.94 115.32 2jik h PHE 85 Ca 0.25 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 2jik h PHE 85 Cb 0.26 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2jik h PHE 85 CO 0.02 0.77 -0.18 0.00 -0.60 0.00 0.00 178.31 178.32 2jik h ARG 86 N -0.08 0.00 -0.01 1.51 3.08 -0.80 -1.75 114.38 116.33 2jik h ARG 86 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jik h ARG 86 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2jik h ARG 86 CO 0.04 0.18 -0.11 0.09 -1.07 0.00 0.00 179.97 179.09 2jik n ASN 87 N -3.36 0.62 -4.74 7.04 5.03 -0.43 -4.89 115.26 114.54 2jik n ASN 87 Ca 0.00 -0.74 -0.35 0.00 0.87 0.00 0.00 54.58 54.36 2jik n ASN 87 Cb 0.39 -0.03 0.07 0.00 -1.02 0.00 0.00 39.78 39.19 2jik n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jik s ALA 88 N -2.40 2.31 0.31 5.41 0.00 -0.66 -5.04 121.76 121.69 2jik s ALA 88 Ca 0.30 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2jik s ALA 88 Cb 0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2jik s ALA 88 CO 0.46 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 175.06 2jik n GLY 89 N 0.37 1.14 0.12 0.00 0.00 -1.26 -4.98 105.19 100.58 2jik n GLY 89 Ca 0.13 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.66 2jik n GLY 89 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jik h TYR 90 N 0.00 0.00 -3.31 1.61 0.05 -1.95 -3.43 116.97 109.94 2jik h TYR 90 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 2jik h TYR 90 Cb 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.45 2jik h TYR 90 CO 0.00 0.56 -0.76 0.00 -1.05 0.00 0.00 178.16 176.91 2jik s ALA 91 N -2.93 2.67 -0.14 3.88 0.00 -1.26 0.12 121.76 124.10 2jik s ALA 91 Ca 0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2jik s ALA 91 Cb 0.08 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2jik s ALA 91 CO 0.77 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 176.34 2jik s VAL 92 N 1.07 1.20 -0.19 0.00 1.01 0.31 -4.98 120.40 118.81 2jik s VAL 92 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 2jik s VAL 92 Cb -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2jik s VAL 92 CO -0.02 0.30 0.27 -0.44 0.00 0.00 0.00 175.10 175.20 2jik s SER 93 N 1.62 6.34 -0.07 3.32 0.01 -1.26 -0.73 113.70 122.93 2jik s SER 93 Ca 0.03 0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.74 2jik s SER 93 Cb -0.14 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 2jik s SER 93 CO -0.09 0.07 -0.22 -0.76 0.41 0.00 0.00 173.24 172.65 2jik s LEU 94 N 0.73 2.02 -0.28 2.44 1.43 0.91 -0.31 118.68 125.62 2jik s LEU 94 Ca 0.14 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2jik s LEU 94 Cb -0.13 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 2jik s LEU 94 CO 0.04 0.18 0.18 -0.60 0.23 0.00 0.00 176.35 176.38 2jik s ARG 95 N 0.14 3.88 0.22 1.70 3.52 -0.80 -1.08 118.95 126.54 2jik s ARG 95 Ca -0.11 -0.36 0.10 0.00 -0.13 0.00 0.00 55.73 55.23 2jik s ARG 95 Cb -0.15 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 2jik s ARG 95 CO 0.06 -0.20 -0.19 0.14 -0.81 0.00 0.00 175.30 174.29 2jik s VAL 96 N 1.74 2.15 -0.27 7.11 -7.23 -0.37 -0.39 120.40 123.15 2jik s VAL 96 Ca 0.07 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 2jik s VAL 96 Cb -0.16 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.70 2jik s VAL 96 CO 0.10 -0.38 -0.03 -1.58 -0.31 0.00 0.00 175.10 172.90 2jik s GLN 97 N -3.24 2.69 0.09 4.82 0.74 0.03 -1.38 119.66 123.41 2jik s GLN 97 Ca 0.24 -1.08 -0.30 0.00 0.05 0.00 0.00 55.36 54.26 2jik s GLN 97 Cb -0.05 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.94 2jik s GLN 97 CO 0.10 -0.48 1.09 -1.01 -0.55 0.00 0.00 175.29 174.44 2jik s HIS 98 N 1.30 3.58 -0.08 1.67 3.76 -0.49 -1.40 115.29 123.63 2jik s HIS 98 Ca -0.02 1.54 0.02 0.00 -0.15 0.00 0.00 55.06 56.45 2jik s HIS 98 Cb -0.18 -3.27 0.01 0.00 1.11 0.00 0.00 32.58 30.26 2jik s HIS 98 CO -0.03 -0.61 -0.12 1.03 -0.85 0.00 0.00 174.74 174.15 2jik s ARG 99 N 0.46 1.81 0.27 1.40 0.52 -1.26 -1.85 118.95 120.29 2jik s ARG 99 Ca 0.53 -0.43 0.14 0.00 -0.52 0.00 0.00 55.73 55.45 2jik s ARG 99 Cb -0.27 -1.55 0.14 0.00 0.52 0.00 0.00 34.95 33.79 2jik s ARG 99 CO 0.31 -0.03 1.47 -0.07 0.02 0.00 0.00 175.30 177.00 2jik h LEU 100 N 7.22 0.00-10.02 2.53 3.38 -1.54 -3.46 115.31 113.42 2jik h LEU 100 Ca -0.30 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.18 2jik h LEU 100 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2jik h LEU 100 CO 0.47 0.58 0.11 -1.61 0.09 0.00 0.00 178.44 178.08 2jik s GLU 101 N -3.06 4.02 0.00 1.13 2.02 -1.26 -5.09 118.70 116.46 2jik s GLU 101 Ca 0.02 0.70 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2jik s GLU 101 Cb 0.09 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2jik s GLU 101 CO 0.75 0.15 -0.14 -1.12 0.02 0.00 0.00 175.26 174.92 2jik s SER 102 N -2.26 1.64 -0.01 -0.19 0.01 -1.26 -5.10 113.70 106.54 2jik s SER 102 Ca 0.54 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 2jik s SER 102 Cb -0.10 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 2jik s SER 102 CO 0.17 0.14 0.65 -0.44 0.41 0.00 0.00 173.24 174.17 2jik s SER 103 N -0.50 7.01 0.00 2.44 0.01 -1.26 -5.27 113.70 116.13 2jik s SER 103 Ca 0.05 1.21 0.03 0.00 1.31 0.00 0.00 55.95 58.54 2jik s SER 103 Cb -0.06 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2jik s SER 103 CO -0.00 0.03 0.59 -0.38 0.41 0.00 0.00 173.24 173.88