#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 4.25 0.26 -0.52 0.52 -1.26 -4.95 118.95 117.24 1i4k s ARG 4 Ca 0.00 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.38 1i4k s ARG 4 Cb 0.00 -3.63 0.45 0.00 0.52 0.00 0.00 34.95 32.29 1i4k s ARG 4 CO 0.00 -0.55 1.82 -1.35 0.02 0.00 0.00 175.30 175.24 1i4k h PRO 5 N 7.49 0.84 0.00 3.54 0.11 -2.06 -1.80 132.00 140.13 1i4k h PRO 5 Ca -0.22 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1i4k h PRO 5 Cb 1.08 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1i4k h PRO 5 CO 0.92 0.55 -0.09 -0.07 -0.21 0.00 0.00 178.00 179.11 1i4k h LEU 6 N 0.86 0.00 -0.35 2.35 4.07 -1.98 -2.21 115.31 118.05 1i4k h LEU 6 Ca 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.35 1i4k h LEU 6 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1i4k h LEU 6 CO -0.26 0.09 0.06 0.44 -1.08 0.00 0.00 178.44 177.70 1i4k h ASP 7 N 0.00 0.55 -0.09 -0.43 3.32 -1.73 0.47 116.42 118.51 1i4k h ASP 7 Ca -0.00 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1i4k h ASP 7 Cb 0.23 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1i4k h ASP 7 CO 0.01 0.66 0.06 0.58 -1.72 0.00 0.00 179.24 178.84 1i4k h VAL 8 N 0.41 0.88 0.03 -1.35 2.07 -1.41 0.24 116.25 117.12 1i4k h VAL 8 Ca 0.11 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.41 1i4k h VAL 8 Cb 0.35 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1i4k h VAL 8 CO 0.01 0.00 -0.99 0.25 0.02 0.00 0.00 177.57 176.85 1i4k h LEU 9 N 0.00 0.13 -0.59 2.57 5.85 -0.99 -3.27 115.31 119.02 1i4k h LEU 9 Ca 0.04 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 1i4k h LEU 9 Cb 0.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1i4k h LEU 9 CO -0.00 1.04 -0.36 -1.13 -0.34 0.00 0.00 178.44 177.65 1i4k h ASN 10 N 0.03 0.77 -0.13 1.25 -1.24 0.32 -3.00 115.58 113.58 1i4k h ASN 10 Ca -0.04 -0.33 -0.03 0.00 0.71 0.00 0.00 56.30 56.60 1i4k h ASN 10 Cb 1.70 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 40.52 1i4k h ASN 10 CO 0.14 1.05 0.04 0.54 -1.29 0.00 0.00 177.43 177.92 1i4k n ARG 11 N -4.06 1.49 0.00 6.67 1.74 -0.28 -3.07 116.66 119.15 1i4k n ARG 11 Ca -0.01 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1i4k n ARG 11 Cb 0.51 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i4k n SER 12 N 0.15 0.77 -4.76 0.55 7.64 -1.13 -5.02 113.62 111.82 1i4k n SER 12 Ca 0.07 -1.37 -0.36 0.00 1.01 0.00 0.00 58.87 58.21 1i4k n SER 12 Cb 0.53 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.37 3.73 0.00 -3.43 1.43 -1.17 -1.91 118.68 116.95 1i4k s LEU 13 Ca 0.00 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1i4k s LEU 13 Cb 0.00 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1i4k s LEU 13 CO 0.00 -1.49 0.00 0.29 0.23 0.00 0.00 176.35 175.38 1i4k n LYS 14 N -1.40 -0.70 -4.33 1.70 5.02 0.61 -4.92 118.16 114.15 1i4k n LYS 14 Ca 0.13 0.17 -0.31 0.00 -2.02 0.00 0.00 58.31 56.28 1i4k n LYS 14 Cb 0.49 -4.54 -0.10 0.00 -0.02 0.00 0.00 35.03 30.86 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 -2.05 4.61 0.45 4.39 0.01 -0.80 -4.88 113.70 115.43 1i4k s SER 15 Ca 0.00 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 1i4k s SER 15 Cb 0.00 -1.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.14 1i4k s SER 15 CO 0.00 0.23 1.14 -2.16 0.41 0.00 0.00 173.24 172.86 1i4k s PRO 16 N -1.84 3.84 0.19 12.44 0.04 -1.26 -1.75 135.00 146.66 1i4k s PRO 16 Ca 0.20 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1i4k s PRO 16 Cb -0.11 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1i4k s PRO 16 CO 0.12 -0.47 0.22 0.14 0.04 0.00 0.00 177.00 177.05 1i4k s VAL 17 N -1.58 0.04 -0.12 -0.36 -7.23 0.15 -0.98 120.40 110.31 1i4k s VAL 17 Ca 0.62 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1i4k s VAL 17 Cb -0.27 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1i4k s VAL 17 CO 0.33 -0.17 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.16 1i4k s ILE 18 N -4.06 2.81 -0.24 -0.62 1.09 -0.12 -2.57 121.20 117.49 1i4k s ILE 18 Ca 0.27 -0.75 0.02 0.00 -1.10 0.00 0.00 60.65 59.09 1i4k s ILE 18 Cb 0.05 -2.16 0.06 0.00 -1.06 0.00 0.00 42.46 39.35 1i4k s ILE 18 CO 0.06 0.53 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.66 1i4k s VAL 19 N 0.34 1.80 -0.20 2.92 1.01 1.00 -1.95 120.40 125.31 1i4k s VAL 19 Ca -0.13 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 1i4k s VAL 19 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1i4k s VAL 19 CO 0.07 -0.00 0.52 -0.60 0.00 0.00 0.00 175.10 175.08 1i4k s ARG 20 N 1.29 4.18 0.45 2.72 3.52 -0.84 -0.68 118.95 129.58 1i4k s ARG 20 Ca -0.06 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1i4k s ARG 20 Cb -0.19 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1i4k s ARG 20 CO -0.06 -0.16 0.58 -0.51 -0.81 0.00 0.00 175.30 174.34 1i4k s LEU 21 N 1.67 3.50 -0.02 -0.88 1.43 -0.44 0.03 118.68 123.96 1i4k s LEU 21 Ca 0.24 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1i4k s LEU 21 Cb -0.15 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1i4k s LEU 21 CO 0.10 -0.86 1.34 -0.54 0.23 0.00 0.00 176.35 176.61 1i4k s LYS 22 N -4.38 4.30 0.00 1.70 1.02 0.86 -2.92 119.74 120.31 1i4k s LYS 22 Ca 0.55 1.87 0.00 0.00 0.02 0.00 0.00 55.97 58.40 1i4k s LYS 22 Cb -0.08 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1i4k s LYS 22 CO 0.33 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1i4k n GLY 23 N 3.56 1.41 0.94 -3.33 0.00 -1.26 -4.66 105.19 101.85 1i4k n GLY 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.09 3.74 -0.02 0.00 -1.15 -5.03 105.19 105.82 1i4k n GLY 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1i4k n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i4k s ARG 25 N -0.76 4.33 0.47 1.61 3.52 -1.26 -4.82 118.95 122.04 1i4k s ARG 25 Ca 0.00 2.18 0.05 0.00 -0.13 0.00 0.00 55.73 57.83 1i4k s ARG 25 Cb 0.00 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1i4k s ARG 25 CO 0.00 -0.34 0.19 -1.21 -0.81 0.00 0.00 175.30 173.13 1i4k s GLU 26 N -0.15 2.21 -0.07 5.12 2.02 0.28 -1.33 118.70 126.78 1i4k s GLU 26 Ca 0.58 -2.03 -0.04 0.00 0.02 0.00 0.00 54.97 53.51 1i4k s GLU 26 Cb -0.39 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 31.98 1i4k s GLU 26 CO 0.40 -0.30 0.16 -0.06 0.02 0.00 0.00 175.26 175.48 1i4k s PHE 27 N -2.71 -0.19 -0.16 1.61 0.40 0.14 -1.32 117.98 115.75 1i4k s PHE 27 Ca 0.31 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 57.17 1i4k s PHE 27 Cb 0.02 -0.03 0.01 0.00 0.51 0.00 0.00 43.02 43.53 1i4k s PHE 27 CO 0.18 -0.16 -0.20 1.03 0.70 0.00 0.00 175.22 176.77 1i4k s ARG 28 N 0.93 3.03 0.06 0.44 0.52 -0.87 -0.00 118.95 123.06 1i4k s ARG 28 Ca -0.07 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1i4k s ARG 28 Cb -0.09 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.89 1i4k s ARG 28 CO -0.05 -0.10 0.41 0.41 0.02 0.00 0.00 175.30 175.99 1i4k n GLY 29 N 4.31 0.94 3.56 -3.53 0.00 -1.06 0.67 105.19 110.09 1i4k n GLY 29 Ca -0.20 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.33 5.27 -0.39 2.61 2.01 0.14 -0.67 115.64 122.28 1i4k s THR 30 Ca 0.09 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 1i4k s THR 30 Cb -0.01 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1i4k s THR 30 CO 0.02 0.09 2.07 -0.22 -0.69 0.00 0.00 174.62 175.89 1i4k s LEU 31 N 1.82 3.42 -0.26 4.42 2.96 -0.72 -1.14 118.68 129.19 1i4k s LEU 31 Ca 0.08 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 1i4k s LEU 31 Cb -0.17 -3.10 -0.17 0.00 0.50 0.00 0.00 46.19 43.25 1i4k s LEU 31 CO 0.11 -2.18 -0.23 -0.67 -1.32 0.00 0.00 176.35 172.06 1i4k n ASP 32 N 12.45 1.98 -4.04 3.68 2.03 -0.23 -0.28 116.55 132.13 1i4k n ASP 32 Ca 0.28 -0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 1i4k n ASP 32 Cb 0.49 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 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 -6.42 1.55 -0.15 0.27 0.00 -1.16 -4.82 107.32 96.59 1i4k s GLY 33 Ca -0.35 -1.73 -0.34 0.00 0.00 0.00 0.00 44.72 42.30 1i4k s GLY 33 CO 0.59 -1.38 1.29 -2.52 0.00 0.00 0.00 173.10 171.08 1i4k s TYR 34 N -4.02 -0.07 0.00 1.90 -0.85 -1.26 -1.88 117.35 111.17 1i4k s TYR 34 Ca 0.39 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1i4k s TYR 34 Cb 0.06 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.92 1i4k s TYR 34 CO 0.15 -0.17 0.00 -0.40 -1.52 0.00 0.00 175.55 173.60 1i4k n ASP 35 N -0.23 0.05 -0.13 -0.18 5.68 -0.85 -4.96 116.55 115.93 1i4k n ASP 35 Ca -0.02 -0.94 -0.04 0.00 -0.50 0.00 0.00 54.79 53.29 1i4k n ASP 35 Cb 0.60 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.74 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 0.94 1.24 0.00 2.12 3.07 -2.03 -2.56 117.51 120.29 1i4k h ILE 36 Ca 0.00 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.48 1i4k h ILE 36 Cb 0.00 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 1i4k h ILE 36 CO 0.00 0.34 0.00 1.41 -1.05 0.00 0.00 178.15 178.85 1i4k n HIS 37 N -4.24 0.00 -1.67 0.16 8.25 -1.26 -4.83 115.22 111.63 1i4k n HIS 37 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 1i4k n HIS 37 Cb 0.27 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.98 -0.37 -2.49 -0.41 1.56 -0.96 -4.25 117.12 109.22 1i4k n MET 38 Ca 0.17 0.44 -0.39 0.00 -0.27 0.00 0.00 57.70 57.64 1i4k n MET 38 Cb 0.08 -4.18 -0.04 0.00 2.15 0.00 0.00 33.22 31.22 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 -2.85 7.15 0.20 6.12 0.01 -1.26 -3.79 114.94 120.52 1i4k s ASN 39 Ca 0.00 2.22 0.06 0.00 -0.71 0.00 0.00 52.86 54.44 1i4k s ASN 39 Cb 0.00 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1i4k s ASN 39 CO 0.00 -0.22 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.49 1i4k s LEU 40 N -1.71 2.52 -0.12 0.60 1.43 -0.69 -2.02 118.68 118.68 1i4k s LEU 40 Ca 0.47 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1i4k s LEU 40 Cb -0.30 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.39 1i4k s LEU 40 CO 0.38 -0.25 -0.13 -0.69 0.23 0.00 0.00 176.35 175.89 1i4k s VAL 41 N -3.10 1.39 0.03 -1.59 1.01 -0.79 -0.91 120.40 116.44 1i4k s VAL 41 Ca 0.22 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1i4k s VAL 41 Cb 0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1i4k s VAL 41 CO 0.06 0.42 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 1i4k s LEU 42 N 1.34 2.68 -0.07 3.92 1.43 -0.54 -1.07 118.68 126.38 1i4k s LEU 42 Ca 0.00 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1i4k s LEU 42 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1i4k s LEU 42 CO -0.07 0.26 -0.20 -0.76 0.23 0.00 0.00 176.35 175.81 1i4k s LEU 43 N -1.40 2.35 -0.91 1.79 1.43 -0.29 -2.32 118.68 119.33 1i4k s LEU 43 Ca 0.15 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1i4k s LEU 43 Cb -0.11 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1i4k s LEU 43 CO 0.05 0.26 0.79 0.47 0.23 0.00 0.00 176.35 178.16 1i4k n ASP 44 N 2.85 -4.29 -4.67 2.29 9.92 0.24 0.26 116.55 123.15 1i4k n ASP 44 Ca -0.17 -0.39 -0.42 0.00 -0.53 0.00 0.00 54.79 53.27 1i4k n ASP 44 Cb 0.52 -3.66 -0.03 0.00 -0.64 0.00 0.00 41.12 37.32 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i4k s ALA 45 N -3.23 3.62 -0.41 2.24 0.00 -0.39 -4.42 121.76 119.16 1i4k s ALA 45 Ca 0.31 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 1i4k s ALA 45 Cb -0.13 -3.66 0.07 0.00 0.00 0.00 0.00 23.12 19.40 1i4k s ALA 45 CO 0.51 -1.16 0.25 -1.21 0.00 0.00 0.00 175.76 174.14 1i4k s GLU 46 N 3.27 2.62 0.26 0.00 2.02 0.21 -0.92 118.70 126.15 1i4k s GLU 46 Ca 0.66 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 1i4k s GLU 46 Cb -0.30 -3.76 -0.10 0.00 0.10 0.00 0.00 34.13 30.07 1i4k s GLU 46 CO 0.25 -0.92 1.30 -2.00 0.02 0.00 0.00 175.26 173.91 1i4k s GLU 47 N 1.43 4.39 -0.03 1.61 2.12 -0.82 -2.05 118.70 125.35 1i4k s GLU 47 Ca 0.03 2.11 0.02 0.00 0.36 0.00 0.00 54.97 57.50 1i4k s GLU 47 Cb -0.23 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1i4k s GLU 47 CO 0.02 -0.20 -0.09 0.42 -0.54 0.00 0.00 175.26 174.87 1i4k s ILE 48 N -0.46 0.77 -0.07 -3.70 1.01 -0.44 -0.75 121.20 117.57 1i4k s ILE 48 Ca 0.53 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1i4k s ILE 48 Cb -0.38 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.44 1i4k s ILE 48 CO 0.44 0.24 0.15 -1.58 0.00 0.00 0.00 174.94 174.20 1i4k s GLN 49 N 0.23 0.10 -1.40 2.79 2.00 -0.64 -0.55 119.66 122.19 1i4k s GLN 49 Ca -0.04 0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 1i4k s GLN 49 Cb -0.09 -0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.54 1i4k s GLN 49 CO 0.01 -0.17 0.00 -1.71 -0.50 0.00 0.00 175.29 172.92 1i4k n ASN 50 N 4.24 -4.59 0.00 6.67 5.15 -1.26 -2.46 115.26 123.01 1i4k n ASN 50 Ca -0.26 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1i4k n ASN 50 Cb 0.52 -3.54 0.00 0.00 -0.53 0.00 0.00 39.78 36.22 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i4k n GLY 51 N -1.11 0.53 3.12 8.20 0.00 -1.26 -5.04 105.19 109.63 1i4k n GLY 51 Ca -0.16 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.28 0.93 -0.65 1.61 -1.05 -1.03 -5.08 118.70 113.15 1i4k s GLU 52 Ca 0.00 -0.67 -0.26 0.00 -0.15 0.00 0.00 54.97 53.89 1i4k s GLU 52 Cb 0.00 -0.92 -0.03 0.00 -0.44 0.00 0.00 34.13 32.74 1i4k s GLU 52 CO 0.00 0.23 1.92 0.08 0.95 0.00 0.00 175.26 178.45 1i4k s VAL 53 N -0.71 3.34 0.10 1.83 1.01 -1.26 -1.62 120.40 123.09 1i4k s VAL 53 Ca 0.02 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 1i4k s VAL 53 Cb -0.07 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1i4k s VAL 53 CO 0.01 -0.84 1.38 0.58 0.00 0.00 0.00 175.10 176.23 1i4k h VAL 54 N 7.01 1.30 -4.45 2.92 2.07 -1.25 -3.48 116.25 120.37 1i4k h VAL 54 Ca -0.20 -1.65 -0.40 0.00 0.82 0.00 0.00 66.70 65.27 1i4k h VAL 54 Cb 1.15 1.70 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 1i4k h VAL 54 CO 1.21 0.53 -0.36 0.54 0.02 0.00 0.00 177.57 179.50 1i4k n ARG 55 N -4.13 0.44 -3.28 1.57 1.74 -1.15 -5.01 116.66 106.83 1i4k n ARG 55 Ca -0.05 -2.96 -0.05 0.00 -0.77 0.00 0.00 57.85 54.02 1i4k n ARG 55 Cb 0.57 2.51 -0.05 0.00 -1.02 0.00 0.00 32.46 34.47 1i4k n ARG 55 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1i4k s LYS 56 N -3.13 0.43 0.37 5.56 2.47 -1.26 -1.94 119.74 122.23 1i4k s LYS 56 Ca 0.35 0.57 0.08 0.00 -1.56 0.00 0.00 55.97 55.41 1i4k s LYS 56 Cb 0.01 -0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.18 1i4k s LYS 56 CO 0.24 -0.74 0.13 0.14 0.16 0.00 0.00 175.35 175.29 1i4k s VAL 57 N 2.64 2.63 -0.13 4.02 -7.23 -0.10 -5.02 120.40 117.21 1i4k s VAL 57 Ca 0.14 -1.75 0.17 0.00 -1.81 0.00 0.00 61.98 58.73 1i4k s VAL 57 Cb -0.14 -2.95 -0.23 0.00 0.56 0.00 0.00 36.38 33.62 1i4k s VAL 57 CO -0.20 -0.11 0.40 0.61 -0.31 0.00 0.00 175.10 175.48 1i4k n GLY 58 N -1.15 -1.03 3.30 2.32 0.00 -1.26 -1.27 105.19 106.09 1i4k n GLY 58 Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1i4k n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i4k s SER 59 N -5.62 -0.55 -0.01 1.61 0.15 -1.26 0.80 113.70 108.83 1i4k s SER 59 Ca -0.07 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.53 1i4k s SER 59 Cb 0.08 0.82 -0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1i4k s SER 59 CO 0.83 -0.20 -0.05 0.68 1.20 0.00 0.00 173.24 175.71 1i4k s VAL 60 N 1.42 0.40 -0.43 4.45 -7.23 -0.98 -4.99 120.40 113.06 1i4k s VAL 60 Ca -0.10 -0.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1i4k s VAL 60 Cb -0.08 -0.36 0.08 0.00 0.56 0.00 0.00 36.38 36.58 1i4k s VAL 60 CO -0.13 0.12 0.27 -0.69 -0.31 0.00 0.00 175.10 174.36 1i4k s VAL 61 N 0.01 4.28 -0.08 1.32 1.01 -1.26 -1.47 120.40 124.22 1i4k s VAL 61 Ca 0.00 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1i4k s VAL 61 Cb -0.04 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1i4k s VAL 61 CO -0.00 -0.53 0.53 -0.63 0.00 0.00 0.00 175.10 174.46 1i4k s ILE 62 N 1.43 5.10 0.14 2.22 1.01 -0.09 -4.96 121.20 126.04 1i4k s ILE 62 Ca 0.03 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 1i4k s ILE 62 Cb -0.23 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 1i4k s ILE 62 CO 0.02 0.36 1.10 -0.13 0.00 0.00 0.00 174.94 176.29 1i4k s ARG 63 N 0.33 4.57 0.42 2.79 1.81 -1.26 -1.70 118.95 125.90 1i4k s ARG 63 Ca 0.28 1.69 0.10 0.00 -1.72 0.00 0.00 55.73 56.07 1i4k s ARG 63 Cb -0.16 -3.31 0.89 0.00 -0.45 0.00 0.00 34.95 31.92 1i4k s ARG 63 CO 0.13 0.01 2.01 0.78 -0.68 0.00 0.00 175.30 177.55 1i4k h GLY 64 N 5.59 0.34 0.19 -3.53 0.00 -1.74 -2.70 103.07 101.23 1i4k h GLY 64 Ca -0.43 -0.16 0.25 0.00 0.00 0.00 0.00 47.33 46.98 1i4k h GLY 64 CO 0.74 0.15 0.66 -1.80 0.00 0.00 0.00 176.54 176.30 1i4k h ASP 65 N 0.32 0.00 -0.58 0.19 -0.00 -1.89 0.13 116.42 114.58 1i4k h ASP 65 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1i4k h ASP 65 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.47 1i4k h ASP 65 CO -0.00 0.00 0.00 0.35 -0.00 0.00 0.00 179.24 179.59 1i4k n THR 66 N -4.13 1.33 -3.31 2.25 -2.24 -1.02 -4.96 114.28 102.21 1i4k n THR 66 Ca 0.18 -1.12 -0.38 0.00 -2.27 0.00 0.00 64.05 60.46 1i4k n THR 66 Cb 0.97 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.37 5.02 -0.26 2.28 1.01 0.44 -0.10 120.40 127.42 1i4k s VAL 67 Ca 0.43 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 1i4k s VAL 67 Cb 0.25 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.64 1i4k s VAL 67 CO 0.25 0.43 -0.28 0.52 0.00 0.00 0.00 175.10 176.02 1i4k n VAL 68 N 2.79 1.47 -3.67 2.92 0.31 0.10 -4.85 118.33 117.40 1i4k n VAL 68 Ca -0.09 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.73 1i4k n VAL 68 Cb 0.51 -1.61 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.16 -0.01 3.52 -0.12 -1.15 -5.02 117.98 112.54 1i4k s PHE 69 Ca -0.36 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.47 1i4k s PHE 69 Cb 0.11 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 43.11 1i4k s PHE 69 CO 0.54 -0.62 0.01 0.08 -0.05 0.00 0.00 175.22 175.17 1i4k s VAL 70 N -3.03 0.04 -0.07 -2.49 1.01 -1.26 -1.99 120.40 112.61 1i4k s VAL 70 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1i4k s VAL 70 Cb -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.30 1i4k s VAL 70 CO -0.02 0.08 0.13 -0.94 0.00 0.00 0.00 175.10 174.35 1i4k s SER 71 N 0.66 0.34 0.42 3.32 1.04 -0.82 -4.97 113.70 113.68 1i4k s SER 71 Ca -0.06 0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.37 1i4k s SER 71 Cb -0.09 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.11 1i4k s SER 71 CO -0.02 -0.19 1.47 -2.16 0.98 0.00 0.00 173.24 173.32 1i4k s PRO 72 N 1.67 3.87 0.00 4.02 0.04 -1.26 -0.95 135.00 142.39 1i4k s PRO 72 Ca -0.03 2.51 0.27 0.00 0.04 0.00 0.00 61.00 63.79 1i4k s PRO 72 Cb -0.12 -2.80 0.89 0.00 0.04 0.00 0.00 34.50 32.51 1i4k s PRO 72 CO -0.05 -0.70 1.65 0.00 0.04 0.00 0.00 177.00 177.94