#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4k s ARG 4 N 0.00 4.32 0.49 -0.52 1.81 -1.26 -4.98 118.95 118.80 1i4k s ARG 4 Ca 0.00 0.62 0.13 0.00 -1.72 0.00 0.00 55.73 54.77 1i4k s ARG 4 Cb 0.00 -3.39 1.14 0.00 -0.45 0.00 0.00 34.95 32.25 1i4k s ARG 4 CO 0.00 0.26 2.12 -1.35 -0.68 0.00 0.00 175.30 175.65 1i4k h PRO 5 N 6.18 0.16 0.00 3.54 0.11 -2.07 -1.90 132.00 138.02 1i4k h PRO 5 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1i4k h PRO 5 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1i4k h PRO 5 CO 0.72 0.11 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.33 1i4k h LEU 6 N 0.17 0.00 -1.52 2.35 -0.00 -2.01 -2.93 115.31 111.37 1i4k h LEU 6 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1i4k h LEU 6 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1i4k h LEU 6 CO -0.01 0.23 -0.20 0.44 -0.00 0.00 0.00 178.44 178.90 1i4k h ASP 7 N 0.00 0.00 0.70 -0.43 3.32 -1.76 -0.85 116.42 117.41 1i4k h ASP 7 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1i4k h ASP 7 Cb 0.75 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1i4k h ASP 7 CO 0.03 0.20 -0.44 0.58 -1.72 0.00 0.00 179.24 177.89 1i4k h VAL 8 N 0.00 1.08 0.00 -1.35 2.07 -1.60 -1.93 116.25 114.52 1i4k h VAL 8 Ca -0.00 -1.63 -0.16 0.00 0.82 0.00 0.00 66.70 65.73 1i4k h VAL 8 Cb 0.54 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1i4k h VAL 8 CO 0.03 0.43 -0.76 -0.07 0.02 0.00 0.00 177.57 177.22 1i4k h LEU 9 N 0.00 0.00 -0.44 2.57 3.38 -1.28 -3.07 115.31 116.46 1i4k h LEU 9 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1i4k h LEU 9 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1i4k h LEU 9 CO 0.06 0.76 -0.59 -1.13 0.09 0.00 0.00 178.44 177.62 1i4k h ASN 10 N 0.00 0.67 1.11 -0.43 -0.73 -0.83 -3.04 115.58 112.33 1i4k h ASN 10 Ca -0.01 -0.38 -0.06 0.00 1.87 0.00 0.00 56.30 57.72 1i4k h ASN 10 Cb 1.38 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.77 1i4k h ASN 10 CO 0.10 1.11 -0.30 0.03 -0.37 0.00 0.00 177.43 178.00 1i4k h ARG 11 N 0.45 0.00 -0.07 6.67 3.08 -1.39 -3.01 114.38 120.12 1i4k h ARG 11 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i4k h ARG 11 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1i4k h ARG 11 CO 0.11 0.30 0.00 0.43 -1.07 0.00 0.00 179.97 179.74 1i4k n SER 12 N -3.35 1.71 -4.76 7.04 7.64 -1.16 -4.92 113.62 115.81 1i4k n SER 12 Ca 0.01 -1.61 -0.41 0.00 1.01 0.00 0.00 58.87 57.87 1i4k n SER 12 Cb 0.52 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1i4k n SER 12 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i4k s LEU 13 N -1.87 4.33 -1.28 -3.43 1.43 -1.14 -1.67 118.68 115.05 1i4k s LEU 13 Ca 0.36 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.48 1i4k s LEU 13 Cb 0.20 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1i4k s LEU 13 CO 0.31 -0.91 0.00 0.29 0.23 0.00 0.00 176.35 176.27 1i4k n LYS 14 N 1.38 -1.06 -4.11 1.70 5.02 0.20 -4.99 118.16 116.30 1i4k n LYS 14 Ca 0.05 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 57.03 1i4k n LYS 14 Cb 0.38 -4.99 -0.10 0.00 -0.02 0.00 0.00 35.03 30.30 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i4k s SER 15 N -2.53 0.71 0.22 4.39 0.01 -0.67 -4.93 113.70 110.90 1i4k s SER 15 Ca 0.00 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 1i4k s SER 15 Cb 0.00 0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 1i4k s SER 15 CO 0.00 -0.51 1.15 -2.16 0.41 0.00 0.00 173.24 172.13 1i4k s PRO 16 N -3.58 4.55 0.11 12.44 0.04 -1.26 -1.07 135.00 146.24 1i4k s PRO 16 Ca 0.06 1.84 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1i4k s PRO 16 Cb 0.05 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1i4k s PRO 16 CO -0.07 0.03 -0.05 0.14 0.04 0.00 0.00 177.00 177.09 1i4k s VAL 17 N -0.49 0.69 -0.13 -0.36 -7.23 -0.06 -1.61 120.40 111.22 1i4k s VAL 17 Ca 0.49 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1i4k s VAL 17 Cb -0.32 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1i4k s VAL 17 CO 0.38 -0.79 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.68 1i4k s ILE 18 N -3.63 3.55 -0.20 -0.62 1.01 0.22 -2.50 121.20 119.03 1i4k s ILE 18 Ca 0.14 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1i4k s ILE 18 Cb 0.05 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1i4k s ILE 18 CO -0.03 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 1i4k s VAL 19 N 0.17 2.00 -0.20 2.92 1.01 0.11 -1.60 120.40 124.81 1i4k s VAL 19 Ca -0.04 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 1i4k s VAL 19 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1i4k s VAL 19 CO 0.04 0.38 0.35 -0.60 0.00 0.00 0.00 175.10 175.27 1i4k s ARG 20 N 1.28 4.18 0.52 2.72 3.52 -0.47 -1.10 118.95 129.59 1i4k s ARG 20 Ca 0.01 0.13 0.07 0.00 -0.13 0.00 0.00 55.73 55.81 1i4k s ARG 20 Cb -0.15 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1i4k s ARG 20 CO -0.11 0.02 0.48 -0.51 -0.81 0.00 0.00 175.30 174.37 1i4k s LEU 21 N 1.13 2.95 0.25 -0.88 1.43 -0.35 0.44 118.68 123.65 1i4k s LEU 21 Ca 0.17 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 1i4k s LEU 21 Cb -0.14 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1i4k s LEU 21 CO 0.07 -1.04 1.01 -0.54 0.23 0.00 0.00 176.35 176.08 1i4k s LYS 22 N -4.32 4.76 0.00 1.70 1.02 -0.94 -2.95 119.74 119.01 1i4k s LYS 22 Ca 0.43 1.62 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1i4k s LYS 22 Cb -0.03 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1i4k s LYS 22 CO 0.26 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1i4k n GLY 23 N 1.41 0.66 2.49 -3.33 0.00 -1.26 -4.27 105.19 100.89 1i4k n GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1i4k n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4k n GLY 24 N -2.01 2.43 3.68 -0.02 0.00 -1.15 -5.01 105.19 103.12 1i4k n GLY 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1i4k n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4k n ARG 25 N -2.00 0.75 -4.32 1.61 1.74 -1.26 -4.75 116.66 108.44 1i4k n ARG 25 Ca 0.00 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.23 1i4k n ARG 25 Cb 0.00 -2.40 -0.10 0.00 -1.02 0.00 0.00 32.46 28.94 1i4k n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i4k s GLU 26 N -3.45 1.28 -0.05 5.56 2.02 0.63 -1.21 118.70 123.47 1i4k s GLU 26 Ca 0.78 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 1i4k s GLU 26 Cb -0.36 -0.71 0.04 0.00 0.10 0.00 0.00 34.13 33.19 1i4k s GLU 26 CO 0.45 -0.01 0.10 -0.06 0.02 0.00 0.00 175.26 175.77 1i4k s PHE 27 N -3.31 -0.08 -0.13 1.61 0.40 -0.26 -0.70 117.98 115.50 1i4k s PHE 27 Ca 0.24 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 1i4k s PHE 27 Cb 0.04 -0.20 0.02 0.00 0.51 0.00 0.00 43.02 43.39 1i4k s PHE 27 CO 0.06 -0.16 -0.15 1.03 0.70 0.00 0.00 175.22 176.70 1i4k s ARG 28 N 1.43 2.29 0.00 0.44 0.52 -0.39 0.08 118.95 123.32 1i4k s ARG 28 Ca -0.06 -0.57 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 1i4k s ARG 28 Cb -0.12 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.38 1i4k s ARG 28 CO -0.05 -0.16 0.74 0.41 0.02 0.00 0.00 175.30 176.27 1i4k n GLY 29 N 4.51 0.45 3.69 -3.53 0.00 -1.04 -0.69 105.19 108.58 1i4k n GLY 29 Ca -0.18 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1i4k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4k s THR 30 N -2.10 4.97 -0.45 2.61 2.01 -0.28 -0.88 115.64 121.53 1i4k s THR 30 Ca 0.17 1.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 1i4k s THR 30 Cb -0.01 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 1i4k s THR 30 CO 0.00 0.13 1.37 -0.22 -0.69 0.00 0.00 174.62 175.21 1i4k s LEU 31 N 1.57 3.56 -0.02 4.42 2.96 -0.23 -0.59 118.68 130.34 1i4k s LEU 31 Ca 0.36 0.67 0.15 0.00 -0.22 0.00 0.00 54.13 55.10 1i4k s LEU 31 Cb -0.17 -3.46 -0.24 0.00 0.50 0.00 0.00 46.19 42.82 1i4k s LEU 31 CO 0.14 -1.46 0.34 -0.67 -1.32 0.00 0.00 176.35 173.39 1i4k n ASP 32 N 8.82 1.48 -3.51 3.68 2.03 -0.01 0.58 116.55 129.61 1i4k n ASP 32 Ca 0.15 -0.01 -0.08 0.00 0.52 0.00 0.00 54.79 55.37 1i4k n ASP 32 Cb 0.48 1.69 -0.00 0.00 -0.72 0.00 0.00 41.12 42.57 1i4k n ASP 32 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1i4k s GLY 33 N -3.75 0.10 0.00 0.27 0.00 -0.93 -4.88 107.32 98.13 1i4k s GLY 33 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1i4k s GLY 33 CO 0.64 -0.18 0.00 1.58 0.00 0.00 0.00 173.10 175.13 1i4k n TYR 34 N -0.49 0.00 -3.99 1.90 0.18 -1.25 -2.20 117.16 111.31 1i4k n TYR 34 Ca -0.06 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.66 1i4k n TYR 34 Cb 0.59 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.54 1i4k n TYR 34 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1i4k n ASP 35 N 0.00 2.03 0.19 9.48 5.68 -1.04 -4.96 116.55 127.94 1i4k n ASP 35 Ca 0.00 -1.46 0.14 0.00 -0.50 0.00 0.00 54.79 52.97 1i4k n ASP 35 Cb 0.00 0.05 0.47 0.00 -1.14 0.00 0.00 41.12 40.50 1i4k n ASP 35 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1i4k h ILE 36 N 0.90 0.00 -0.00 2.12 3.07 -2.03 -2.37 117.51 119.20 1i4k h ILE 36 Ca -0.09 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1i4k h ILE 36 Cb 0.27 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 1i4k h ILE 36 CO 0.14 0.00 -0.05 1.41 -1.05 0.00 0.00 178.15 178.60 1i4k n HIS 37 N -2.71 0.00 -1.32 0.16 8.25 -1.26 -4.89 115.22 113.46 1i4k n HIS 37 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1i4k n HIS 37 Cb 0.36 -0.32 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 1i4k n HIS 37 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1i4k n MET 38 N -1.29 -0.04 -2.25 -0.41 1.56 -0.89 -4.35 117.12 109.45 1i4k n MET 38 Ca 0.12 0.37 -0.35 0.00 -0.27 0.00 0.00 57.70 57.57 1i4k n MET 38 Cb 0.28 -3.90 0.00 0.00 2.15 0.00 0.00 33.22 31.76 1i4k n MET 38 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1i4k s ASN 39 N -2.99 5.70 0.11 6.12 0.01 -1.26 -3.55 114.94 119.08 1i4k s ASN 39 Ca 0.00 2.18 0.04 0.00 -0.71 0.00 0.00 52.86 54.37 1i4k s ASN 39 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1i4k s ASN 39 CO 0.00 -1.23 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.49 1i4k s LEU 40 N -3.81 2.42 -0.12 0.60 1.43 -0.22 -2.48 118.68 116.51 1i4k s LEU 40 Ca 0.73 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1i4k s LEU 40 Cb -0.24 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.66 1i4k s LEU 40 CO 0.27 -0.26 -0.10 -0.69 0.23 0.00 0.00 176.35 175.81 1i4k s VAL 41 N -2.55 1.16 -0.01 -1.59 1.01 -0.93 -0.79 120.40 116.69 1i4k s VAL 41 Ca 0.08 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1i4k s VAL 41 Cb -0.02 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1i4k s VAL 41 CO 0.00 0.39 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 1i4k s LEU 42 N 1.55 2.27 0.15 3.92 1.43 -0.85 -0.83 118.68 126.31 1i4k s LEU 42 Ca 0.03 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1i4k s LEU 42 Cb -0.13 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1i4k s LEU 42 CO -0.07 0.31 0.06 -0.76 0.23 0.00 0.00 176.35 176.12 1i4k s LEU 43 N -0.80 3.59 -0.68 1.79 1.43 0.24 -1.65 118.68 122.60 1i4k s LEU 43 Ca 0.11 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1i4k s LEU 43 Cb -0.10 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1i4k s LEU 43 CO 0.00 0.10 0.54 -0.67 0.23 0.00 0.00 176.35 176.56 1i4k n ASP 44 N -0.04 -4.33 -4.32 2.29 -0.08 0.09 -1.12 116.55 109.02 1i4k n ASP 44 Ca -0.09 -0.75 -0.18 0.00 -1.51 0.00 0.00 54.79 52.25 1i4k n ASP 44 Cb 0.54 -1.41 -0.10 0.00 2.34 0.00 0.00 41.12 42.49 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4k s ALA 45 N -2.60 1.89 0.02 -1.67 0.00 0.48 -4.05 121.76 115.84 1i4k s ALA 45 Ca 0.06 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.51 1i4k s ALA 45 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1i4k s ALA 45 CO 0.79 0.08 -0.20 -1.21 0.00 0.00 0.00 175.76 175.22 1i4k s GLU 46 N -3.42 1.45 -0.38 0.00 2.02 0.13 -0.29 118.70 118.22 1i4k s GLU 46 Ca 0.19 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.19 1i4k s GLU 46 Cb -0.02 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.72 1i4k s GLU 46 CO 0.06 0.39 0.34 -2.00 0.02 0.00 0.00 175.26 174.07 1i4k s GLU 47 N -0.90 3.28 -0.27 1.61 2.12 -0.87 -1.27 118.70 122.40 1i4k s GLU 47 Ca 0.07 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 54.58 1i4k s GLU 47 Cb -0.08 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1i4k s GLU 47 CO 0.01 -0.65 0.20 0.42 -0.54 0.00 0.00 175.26 174.70 1i4k s ILE 48 N 1.89 5.31 -0.19 -3.70 1.09 0.12 -1.16 121.20 124.57 1i4k s ILE 48 Ca 0.09 0.21 0.01 0.00 -1.10 0.00 0.00 60.65 59.86 1i4k s ILE 48 Cb -0.17 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.72 1i4k s ILE 48 CO 0.11 0.27 -0.16 -1.58 -0.10 0.00 0.00 174.94 173.48 1i4k s GLN 49 N 1.61 2.66 -1.85 2.79 -0.44 -0.87 -0.27 119.66 123.28 1i4k s GLN 49 Ca 0.08 -0.91 0.00 0.00 -2.50 0.00 0.00 55.36 52.03 1i4k s GLN 49 Cb -0.15 -2.57 0.00 0.00 -1.64 0.00 0.00 33.01 28.65 1i4k s GLN 49 CO 0.09 -0.31 0.00 0.09 0.50 0.00 0.00 175.29 175.66 1i4k n ASN 50 N 4.61 -5.26 0.00 6.67 4.13 -1.26 -2.84 115.26 121.31 1i4k n ASN 50 Ca -0.18 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1i4k n ASN 50 Cb 0.48 -4.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i4k n GLY 51 N -0.79 3.24 3.66 7.41 0.00 -1.26 -5.07 105.19 112.38 1i4k n GLY 51 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1i4k n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i4k s GLU 52 N -0.73 2.87 0.16 1.61 -1.05 -1.13 -5.05 118.70 115.39 1i4k s GLU 52 Ca 0.00 -0.49 -0.31 0.00 -0.15 0.00 0.00 54.97 54.01 1i4k s GLU 52 Cb 0.00 -2.71 -0.09 0.00 -0.44 0.00 0.00 34.13 30.89 1i4k s GLU 52 CO 0.00 0.67 1.48 0.08 0.95 0.00 0.00 175.26 178.44 1i4k s VAL 53 N -0.92 2.89 -0.52 1.83 1.01 -1.26 -2.05 120.40 121.38 1i4k s VAL 53 Ca 0.15 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1i4k s VAL 53 Cb -0.11 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1i4k s VAL 53 CO 0.04 0.06 0.43 1.33 0.00 0.00 0.00 175.10 176.96 1i4k n VAL 54 N 3.68 0.00 -3.62 2.92 0.24 -0.31 -4.94 118.33 116.31 1i4k n VAL 54 Ca 0.12 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.34 62.04 1i4k n VAL 54 Cb 0.40 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 1i4k n VAL 54 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1i4k s ARG 55 N -1.67 0.26 -0.03 7.34 3.52 -1.25 -4.99 118.95 122.13 1i4k s ARG 55 Ca 0.04 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 55.73 1i4k s ARG 55 Cb 0.07 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 1i4k s ARG 55 CO 0.32 -0.09 -0.19 0.15 -0.81 0.00 0.00 175.30 174.68 1i4k s LYS 56 N -1.31 2.31 -0.05 5.12 1.02 -1.26 -2.06 119.74 123.51 1i4k s LYS 56 Ca 0.06 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 1i4k s LYS 56 Cb -0.01 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1i4k s LYS 56 CO -0.05 0.59 0.12 0.14 -0.92 0.00 0.00 175.35 175.24 1i4k s VAL 57 N -0.69 -0.03 0.32 3.17 -7.23 0.60 -5.01 120.40 111.53 1i4k s VAL 57 Ca 0.11 0.10 0.14 0.00 -1.81 0.00 0.00 61.98 60.52 1i4k s VAL 57 Cb -0.10 -0.19 0.08 0.00 0.56 0.00 0.00 36.38 36.72 1i4k s VAL 57 CO 0.00 0.04 1.77 1.23 -0.31 0.00 0.00 175.10 177.83 1i4k h GLY 58 N 6.68 0.00 -4.45 2.32 0.00 -1.92 0.14 103.07 105.83 1i4k h GLY 58 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1i4k h GLY 58 CO 0.43 0.00 0.10 -1.35 0.00 0.00 0.00 176.54 175.73 1i4k s SER 59 N -6.80 -0.63 -0.10 0.19 1.04 -1.26 -0.74 113.70 105.40 1i4k s SER 59 Ca -0.02 0.91 -0.12 0.00 0.48 0.00 0.00 55.95 57.20 1i4k s SER 59 Cb 0.13 0.84 0.03 0.00 0.10 0.00 0.00 66.02 67.13 1i4k s SER 59 CO 0.72 -0.45 0.33 0.54 0.98 0.00 0.00 173.24 175.36 1i4k s VAL 60 N -0.60 0.01 -0.20 5.02 0.11 -0.66 -5.00 120.40 119.09 1i4k s VAL 60 Ca -0.07 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1i4k s VAL 60 Cb -0.02 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1i4k s VAL 60 CO 0.06 -0.05 0.02 -0.69 -3.33 0.00 0.00 175.10 171.11 1i4k s VAL 61 N -0.11 4.20 -0.19 2.04 1.01 -1.26 -2.01 120.40 124.07 1i4k s VAL 61 Ca -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1i4k s VAL 61 Cb -0.03 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1i4k s VAL 61 CO 0.01 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 1i4k s ILE 62 N 0.91 3.54 0.05 2.22 1.01 0.03 -4.96 121.20 123.99 1i4k s ILE 62 Ca 0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1i4k s ILE 62 Cb -0.14 -2.58 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1i4k s ILE 62 CO 0.02 0.45 1.67 -0.13 0.00 0.00 0.00 174.94 176.95 1i4k s ARG 63 N 0.99 4.19 0.33 2.79 1.81 -1.26 -1.05 118.95 126.74 1i4k s ARG 63 Ca 0.00 2.32 0.09 0.00 -1.72 0.00 0.00 55.73 56.42 1i4k s ARG 63 Cb -0.15 -3.69 0.83 0.00 -0.45 0.00 0.00 34.95 31.49 1i4k s ARG 63 CO 0.01 -0.76 1.78 0.78 -0.68 0.00 0.00 175.30 176.43 1i4k h GLY 64 N 8.94 1.62 1.50 -3.53 0.00 -1.76 -1.78 103.07 108.06 1i4k h GLY 64 Ca -0.42 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1i4k h GLY 64 CO 0.93 -0.08 0.23 -1.80 0.00 0.00 0.00 176.54 175.83 1i4k h ASP 65 N 0.67 0.00 -0.01 0.19 1.82 -1.87 0.35 116.42 117.57 1i4k h ASP 65 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 1i4k h ASP 65 Cb 1.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1i4k h ASP 65 CO -0.35 0.00 -0.41 0.35 -1.61 0.00 0.00 179.24 177.21 1i4k n THR 66 N -2.74 0.00 -2.56 2.25 -2.24 -0.67 -4.96 114.28 103.35 1i4k n THR 66 Ca -0.02 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1i4k n THR 66 Cb 0.28 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1i4k n THR 66 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1i4k s VAL 67 N -2.16 4.43 -0.24 2.28 1.01 0.11 -2.20 120.40 123.62 1i4k s VAL 67 Ca 0.15 1.74 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 1i4k s VAL 67 Cb 0.15 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 1i4k s VAL 67 CO 0.49 0.13 -0.15 0.52 0.00 0.00 0.00 175.10 176.09 1i4k n VAL 68 N 3.94 1.55 -3.51 2.92 0.31 0.17 -4.95 118.33 118.76 1i4k n VAL 68 Ca 0.08 -0.42 -0.11 0.00 -0.01 0.00 0.00 64.34 63.88 1i4k n VAL 68 Cb 0.48 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1i4k n VAL 68 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1i4k s PHE 69 N -2.50 -0.42 -0.05 3.52 -0.12 -1.17 -5.00 117.98 112.24 1i4k s PHE 69 Ca -0.34 0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1i4k s PHE 69 Cb 0.11 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1i4k s PHE 69 CO 0.57 -0.55 -0.08 0.08 -0.05 0.00 0.00 175.22 175.19 1i4k s VAL 70 N -2.51 0.80 -0.00 -2.49 1.01 -1.26 -1.37 120.40 114.58 1i4k s VAL 70 Ca 0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1i4k s VAL 70 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1i4k s VAL 70 CO -0.05 0.28 0.12 -0.94 0.00 0.00 0.00 175.10 174.51 1i4k s SER 71 N 0.70 0.02 0.76 3.32 1.04 -0.63 -4.96 113.70 113.95 1i4k s SER 71 Ca -0.12 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 1i4k s SER 71 Cb -0.14 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.24 1i4k s SER 71 CO 0.02 -0.32 1.18 -2.84 0.98 0.00 0.00 173.24 172.26 1i4k s PRO 72 N -1.18 2.03 0.00 4.02 0.02 -1.26 0.73 135.00 139.36 1i4k s PRO 72 Ca -0.13 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1i4k s PRO 72 Cb -0.07 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1i4k s PRO 72 CO 0.01 -1.90 0.27 0.00 -0.33 0.00 0.00 177.00 175.06