#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 4.08 0.23 -0.52 3.00 -1.26 -5.00 118.95 119.48 1i4k s ARG 4 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 55.73 55.38 1i4k s ARG 4 Cb 0.00 -3.37 0.39 0.00 0.00 0.00 0.00 34.95 31.97 1i4k s ARG 4 CO 0.00 0.23 1.69 -1.35 0.00 0.00 0.00 175.30 175.87 1i4k h PRO 5 N 6.90 0.24 0.00 3.54 0.11 -2.06 0.74 132.00 141.47 1i4k h PRO 5 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1i4k h PRO 5 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i4k h PRO 5 CO 0.72 0.16 0.00 -0.07 -0.21 0.00 0.00 178.00 178.60 1i4k h LEU 6 N 0.25 0.00 -0.19 2.35 3.38 -1.99 -2.11 115.31 117.00 1i4k h LEU 6 Ca 0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.18 1i4k h LEU 6 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1i4k h LEU 6 CO -0.48 0.00 -0.79 0.44 0.09 0.00 0.00 178.44 177.70 1i4k h ASP 7 N 0.00 0.00 -0.08 -0.43 3.32 -1.28 -1.71 116.42 116.25 1i4k h ASP 7 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1i4k h ASP 7 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1i4k h ASP 7 CO 0.00 0.79 -0.43 0.58 -1.72 0.00 0.00 179.24 178.46 1i4k h VAL 8 N 0.00 1.30 -0.63 -1.35 2.07 -0.95 -2.45 116.25 114.25 1i4k h VAL 8 Ca -0.01 -1.61 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 1i4k h VAL 8 Cb 1.51 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1i4k h VAL 8 CO 0.10 0.51 0.08 -0.07 0.02 0.00 0.00 177.57 178.21 1i4k h LEU 9 N 0.50 1.00 -0.15 2.57 3.38 -1.26 -2.91 115.31 118.44 1i4k h LEU 9 Ca 0.04 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1i4k h LEU 9 Cb 0.95 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1i4k h LEU 9 CO 0.09 1.01 0.07 -1.13 0.09 0.00 0.00 178.44 178.57 1i4k h ASN 10 N 0.98 0.10 0.13 -0.43 -0.73 -0.90 -1.74 115.58 112.99 1i4k h ASN 10 Ca 0.19 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1i4k h ASN 10 Cb 0.45 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1i4k h ASN 10 CO 0.02 0.08 0.00 -2.11 -0.37 0.00 0.00 177.43 175.05 1i4k n ARG 11 N -5.03 0.49 -0.11 6.67 1.85 -0.96 -1.93 116.66 117.64 1i4k n ARG 11 Ca -0.04 0.04 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1i4k n ARG 11 Cb 0.05 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.11 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1i4k n SER 12 N -1.11 3.06 -4.76 2.89 7.64 -0.67 -4.93 113.62 115.75 1i4k n SER 12 Ca 0.13 -1.90 -0.41 0.00 1.01 0.00 0.00 58.87 57.69 1i4k n SER 12 Cb 0.10 -0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.45 4.34 0.00 -3.43 1.43 -0.81 -1.70 118.68 117.05 1i4k s LEU 13 Ca 0.30 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.36 1i4k s LEU 13 Cb 0.19 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1i4k s LEU 13 CO 0.27 -0.88 0.00 0.29 0.23 0.00 0.00 176.35 176.26 1i4k n LYS 14 N 1.64 0.00 -3.82 1.70 4.01 0.43 -4.99 118.16 117.12 1i4k n LYS 14 Ca 0.06 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.60 1i4k n LYS 14 Cb 0.38 -2.87 -0.03 0.00 -0.51 0.00 0.00 35.03 32.01 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1i4k s SER 15 N -2.88 6.35 0.38 4.39 0.01 -0.69 -4.82 113.70 116.44 1i4k s SER 15 Ca 0.00 0.25 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 1i4k s SER 15 Cb 0.00 -1.94 -0.09 0.00 0.21 0.00 0.00 66.02 64.20 1i4k s SER 15 CO 0.00 -0.03 1.04 -2.16 0.41 0.00 0.00 173.24 172.50 1i4k s PRO 16 N -3.48 4.26 0.15 12.44 0.04 -1.26 -2.07 135.00 145.08 1i4k s PRO 16 Ca 0.36 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 1i4k s PRO 16 Cb -0.11 -2.64 -0.00 0.00 0.04 0.00 0.00 34.50 31.80 1i4k s PRO 16 CO 0.29 -0.05 0.30 0.14 0.04 0.00 0.00 177.00 177.72 1i4k s VAL 17 N -1.61 0.08 -0.13 -0.36 -7.23 0.02 -3.47 120.40 107.70 1i4k s VAL 17 Ca 0.56 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1i4k s VAL 17 Cb -0.23 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1i4k s VAL 17 CO 0.28 -0.34 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.97 1i4k s ILE 18 N -3.93 3.07 -0.23 -0.62 1.01 0.93 -2.66 121.20 118.78 1i4k s ILE 18 Ca 0.13 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1i4k s ILE 18 Cb 0.03 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.26 1i4k s ILE 18 CO -0.03 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.61 1i4k s VAL 19 N 0.32 2.06 -0.06 2.92 1.01 0.00 -1.07 120.40 125.57 1i4k s VAL 19 Ca -0.10 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 1i4k s VAL 19 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1i4k s VAL 19 CO 0.06 0.17 0.50 -0.60 0.00 0.00 0.00 175.10 175.23 1i4k s ARG 20 N 1.20 4.26 0.44 2.72 3.52 -0.48 -0.71 118.95 129.90 1i4k s ARG 20 Ca -0.04 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.17 1i4k s ARG 20 Cb -0.17 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1i4k s ARG 20 CO -0.08 0.32 0.26 -0.51 -0.81 0.00 0.00 175.30 174.48 1i4k s LEU 21 N 0.06 3.07 0.38 -0.88 1.43 0.16 -0.35 118.68 122.55 1i4k s LEU 21 Ca 0.27 -1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 1i4k s LEU 21 Cb -0.16 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 1i4k s LEU 21 CO 0.13 -0.68 1.11 -0.54 0.23 0.00 0.00 176.35 176.60 1i4k s LYS 22 N -4.02 4.21 0.00 1.70 1.02 -0.33 -3.27 119.74 119.05 1i4k s LYS 22 Ca 0.40 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1i4k s LYS 22 Cb 0.01 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1i4k s LYS 22 CO 0.23 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1i4k n GLY 23 N 0.64 0.89 2.23 -3.33 0.00 -1.26 -4.21 105.19 100.15 1i4k n GLY 23 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.09 0.42 3.83 -0.02 0.00 -1.20 -5.01 105.19 101.11 1i4k n GLY 24 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.72 4.15 0.14 1.61 3.52 -1.23 -4.58 118.95 121.85 1i4k s ARG 25 Ca 0.00 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 1i4k s ARG 25 Cb 0.00 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1i4k s ARG 25 CO 0.00 0.25 -0.05 -1.21 -0.81 0.00 0.00 175.30 173.48 1i4k s GLU 26 N -2.52 1.01 -0.03 5.12 2.02 -0.76 0.38 118.70 123.91 1i4k s GLU 26 Ca 0.50 -1.45 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1i4k s GLU 26 Cb -0.13 -0.36 0.02 0.00 0.10 0.00 0.00 34.13 33.76 1i4k s GLU 26 CO 0.19 -0.03 -0.05 -0.06 0.02 0.00 0.00 175.26 175.33 1i4k s PHE 27 N -3.54 0.70 -0.24 1.61 0.40 0.12 -1.57 117.98 115.46 1i4k s PHE 27 Ca 0.18 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1i4k s PHE 27 Cb 0.05 -0.59 0.04 0.00 0.51 0.00 0.00 43.02 43.03 1i4k s PHE 27 CO 0.00 -0.14 -0.12 1.03 0.70 0.00 0.00 175.22 176.69 1i4k s ARG 28 N 0.65 2.60 0.00 0.44 0.52 -0.31 -0.82 118.95 122.02 1i4k s ARG 28 Ca -0.09 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1i4k s ARG 28 Cb -0.12 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1i4k s ARG 28 CO 0.00 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.30 1i4k n GLY 29 N 4.55 1.35 3.66 -3.53 0.00 -1.09 0.18 105.19 110.31 1i4k n GLY 29 Ca -0.17 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.54 5.25 -0.10 2.61 2.01 -0.71 -0.80 115.64 121.35 1i4k s THR 30 Ca 0.00 0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1i4k s THR 30 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1i4k s THR 30 CO 0.00 0.27 1.61 -0.22 -0.69 0.00 0.00 174.62 175.59 1i4k s LEU 31 N 1.34 4.21 -0.01 4.42 2.96 -0.88 -1.14 118.68 129.57 1i4k s LEU 31 Ca 0.15 2.05 0.07 0.00 -0.22 0.00 0.00 54.13 56.18 1i4k s LEU 31 Cb -0.14 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 1i4k s LEU 31 CO 0.07 -0.99 0.15 -0.67 -1.32 0.00 0.00 176.35 173.59 1i4k n ASP 32 N 7.42 3.35 -3.67 3.68 2.03 0.47 -0.43 116.55 129.40 1i4k n ASP 32 Ca 0.17 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.45 1i4k n ASP 32 Cb 0.43 1.31 -0.01 0.00 -0.72 0.00 0.00 41.12 42.13 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 -2.86 -0.31 0.04 0.27 0.00 -1.16 -4.93 107.32 98.37 1i4k s GLY 33 Ca -0.03 0.48 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 1i4k s GLY 33 CO 0.30 0.11 1.17 -2.52 0.00 0.00 0.00 173.10 172.17 1i4k s TYR 34 N -3.03 -0.07 0.03 1.90 -0.85 -1.25 -1.34 117.35 112.75 1i4k s TYR 34 Ca 0.11 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1i4k s TYR 34 Cb 0.00 0.58 -0.00 0.00 0.38 0.00 0.00 41.96 42.92 1i4k s TYR 34 CO -0.01 -0.47 0.03 -0.40 -1.52 0.00 0.00 175.55 173.18 1i4k n ASP 35 N -0.51 -0.08 -0.14 -0.18 5.68 -1.12 -4.93 116.55 115.27 1i4k n ASP 35 Ca -0.07 -1.20 -0.04 0.00 -0.50 0.00 0.00 54.79 52.98 1i4k n ASP 35 Cb 0.62 0.18 0.04 0.00 -1.14 0.00 0.00 41.12 40.82 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 1.10 0.68 0.00 2.12 3.07 -2.03 -0.70 117.51 121.75 1i4k h ILE 36 Ca -0.02 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1i4k h ILE 36 Cb 0.12 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.20 1i4k h ILE 36 CO 0.03 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 178.57 1i4k n HIS 37 N -5.19 0.00 -2.38 0.16 8.25 -1.26 -4.85 115.22 109.95 1i4k n HIS 37 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1i4k n HIS 37 Cb 0.23 -0.35 0.01 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.35 -1.15 -2.54 -0.41 1.56 -0.27 -4.43 117.12 108.53 1i4k n MET 38 Ca 0.05 0.26 -0.37 0.00 -0.27 0.00 0.00 57.70 57.37 1i4k n MET 38 Cb 0.11 -3.83 -0.04 0.00 2.15 0.00 0.00 33.22 31.61 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 -2.88 6.89 0.26 6.12 0.01 -1.26 -3.56 114.94 120.52 1i4k s ASN 39 Ca 0.06 2.08 0.08 0.00 -0.71 0.00 0.00 52.86 54.37 1i4k s ASN 39 Cb -0.03 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1i4k s ASN 39 CO 0.08 -0.40 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.40 1i4k s LEU 40 N -2.36 2.55 -0.08 0.60 1.43 0.03 -2.78 118.68 118.07 1i4k s LEU 40 Ca 0.55 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1i4k s LEU 40 Cb -0.24 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1i4k s LEU 40 CO 0.30 -0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 175.91 1i4k s VAL 41 N -2.88 0.91 0.04 -1.59 1.01 -0.45 -1.12 120.40 116.33 1i4k s VAL 41 Ca 0.27 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1i4k s VAL 41 Cb 0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1i4k s VAL 41 CO 0.11 0.33 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 1i4k s LEU 42 N 1.26 2.16 0.23 3.92 1.43 -0.85 -0.39 118.68 126.43 1i4k s LEU 42 Ca -0.04 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1i4k s LEU 42 Cb -0.14 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1i4k s LEU 42 CO -0.03 0.18 -0.00 -0.76 0.23 0.00 0.00 176.35 175.97 1i4k s LEU 43 N -1.15 3.24 -0.67 1.79 1.43 -0.29 -1.18 118.68 121.84 1i4k s LEU 43 Ca 0.08 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1i4k s LEU 43 Cb -0.09 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1i4k s LEU 43 CO 0.02 0.04 0.40 0.47 0.23 0.00 0.00 176.35 177.51 1i4k n ASP 44 N -0.55 -2.64 -4.78 2.29 8.00 0.12 -1.74 116.55 117.25 1i4k n ASP 44 Ca -0.08 -0.74 -0.32 0.00 0.71 0.00 0.00 54.79 54.35 1i4k n ASP 44 Cb 0.57 -0.97 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4k s ALA 45 N -3.62 3.58 -0.22 2.24 0.00 -0.87 -4.34 121.76 118.53 1i4k s ALA 45 Ca 0.21 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1i4k s ALA 45 Cb -0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1i4k s ALA 45 CO 0.58 0.70 -0.00 -1.21 0.00 0.00 0.00 175.76 175.83 1i4k s GLU 46 N -1.88 3.52 -0.37 0.00 2.02 0.48 -1.97 118.70 120.51 1i4k s GLU 46 Ca 0.24 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.43 1i4k s GLU 46 Cb -0.12 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 31.03 1i4k s GLU 46 CO 0.16 -0.11 0.89 -2.00 0.02 0.00 0.00 175.26 174.21 1i4k s GLU 47 N 1.31 3.80 -0.09 1.61 2.12 -0.64 -1.17 118.70 125.65 1i4k s GLU 47 Ca 0.04 0.49 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 1i4k s GLU 47 Cb -0.15 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 1i4k s GLU 47 CO 0.00 -0.93 -0.03 0.42 -0.54 0.00 0.00 175.26 174.18 1i4k s ILE 48 N 3.38 4.03 -0.27 -3.70 1.09 -0.61 -0.74 121.20 124.39 1i4k s ILE 48 Ca 0.36 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 1i4k s ILE 48 Cb -0.12 -2.69 0.10 0.00 -1.06 0.00 0.00 42.46 38.69 1i4k s ILE 48 CO 0.18 0.59 0.14 -1.58 -0.10 0.00 0.00 174.94 174.17 1i4k s GLN 49 N -0.67 0.18 -1.34 2.79 2.00 -0.91 -1.83 119.66 119.88 1i4k s GLN 49 Ca 0.10 -0.40 -0.06 0.00 -2.00 0.00 0.00 55.36 53.00 1i4k s GLN 49 Cb -0.12 -1.22 0.02 0.00 0.80 0.00 0.00 33.01 32.49 1i4k s GLN 49 CO 0.02 -0.95 1.04 -1.71 -0.50 0.00 0.00 175.29 173.18 1i4k n ASN 50 N 5.26 -4.22 0.00 6.67 5.15 -1.26 -3.17 115.26 123.69 1i4k n ASN 50 Ca -0.06 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 1i4k n ASN 50 Cb 0.44 -4.73 0.00 0.00 -0.53 0.00 0.00 39.78 34.96 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 -1.66 2.42 3.77 8.20 0.00 -1.26 -5.02 105.19 111.64 1i4k n GLY 51 Ca -0.11 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 4.56 -0.17 1.61 -1.05 -1.19 -4.98 118.70 117.49 1i4k s GLU 52 Ca 0.00 1.55 -0.29 0.00 -0.15 0.00 0.00 54.97 56.08 1i4k s GLU 52 Cb 0.00 -2.97 -0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1i4k s GLU 52 CO 0.00 0.21 1.02 0.08 0.95 0.00 0.00 175.26 177.52 1i4k s VAL 53 N -1.39 4.74 0.03 1.83 1.01 -1.26 -2.15 120.40 123.20 1i4k s VAL 53 Ca 0.48 2.02 -0.18 0.00 0.00 0.00 0.00 61.98 64.30 1i4k s VAL 53 Cb -0.25 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.58 1i4k s VAL 53 CO 0.32 -0.08 1.12 0.58 0.00 0.00 0.00 175.10 177.04 1i4k h VAL 54 N 5.27 1.38 -1.81 2.92 2.07 -1.31 -3.49 116.25 121.28 1i4k h VAL 54 Ca -0.25 -2.16 0.27 0.00 0.82 0.00 0.00 66.70 65.38 1i4k h VAL 54 Cb 1.10 2.55 -0.10 0.00 -1.52 0.00 0.00 31.29 33.33 1i4k h VAL 54 CO 0.91 0.64 0.71 0.00 0.02 0.00 0.00 177.57 179.85 1i4k s ARG 55 N -3.21 0.70 0.01 1.57 1.70 -1.25 -5.04 118.95 113.43 1i4k s ARG 55 Ca -0.12 -0.39 0.04 0.00 -0.47 0.00 0.00 55.73 54.79 1i4k s ARG 55 Cb 0.05 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1i4k s ARG 55 CO 0.86 -0.32 -0.14 0.15 -1.08 0.00 0.00 175.30 174.77 1i4k s LYS 56 N -2.69 1.01 0.07 3.89 1.02 -1.26 -1.62 119.74 120.16 1i4k s LYS 56 Ca 0.14 -0.60 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1i4k s LYS 56 Cb 0.02 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.31 1i4k s LYS 56 CO -0.01 0.26 -0.12 0.14 -0.92 0.00 0.00 175.35 174.70 1i4k s VAL 57 N -0.56 0.97 0.16 3.17 -7.23 -0.83 -5.01 120.40 111.06 1i4k s VAL 57 Ca 0.03 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1i4k s VAL 57 Cb -0.06 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.85 1i4k s VAL 57 CO 0.00 -0.33 1.60 1.23 -0.31 0.00 0.00 175.10 177.29 1i4k h GLY 58 N 4.15 1.01 -2.97 2.32 0.00 -1.93 -2.30 103.07 103.36 1i4k h GLY 58 Ca -0.39 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.11 1i4k h GLY 58 CO 0.43 0.70 -0.17 -1.35 0.00 0.00 0.00 176.54 176.16 1i4k s SER 59 N -6.46 -0.11 -0.21 0.19 1.04 -1.26 0.12 113.70 107.02 1i4k s SER 59 Ca -0.12 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 55.63 1i4k s SER 59 Cb 0.12 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.75 1i4k s SER 59 CO 0.84 -0.86 0.54 0.54 0.98 0.00 0.00 173.24 175.27 1i4k s VAL 60 N -3.86 -0.00 -0.23 5.02 0.11 -0.33 -4.98 120.40 116.13 1i4k s VAL 60 Ca 0.07 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1i4k s VAL 60 Cb 0.02 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1i4k s VAL 60 CO -0.08 0.01 0.07 -0.69 -3.33 0.00 0.00 175.10 171.07 1i4k s VAL 61 N 0.63 4.44 -0.14 2.04 1.01 -1.26 -2.01 120.40 125.11 1i4k s VAL 61 Ca -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1i4k s VAL 61 Cb -0.05 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1i4k s VAL 61 CO -0.04 0.37 -0.09 -0.63 0.00 0.00 0.00 175.10 174.71 1i4k s ILE 62 N 1.30 3.42 -0.03 2.22 1.01 -0.28 -4.98 121.20 123.85 1i4k s ILE 62 Ca 0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1i4k s ILE 62 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1i4k s ILE 62 CO 0.04 0.52 1.29 -0.13 0.00 0.00 0.00 174.94 176.65 1i4k s ARG 63 N 0.30 4.32 0.36 2.79 1.81 -1.26 -0.79 118.95 126.48 1i4k s ARG 63 Ca -0.07 1.80 0.16 0.00 -1.72 0.00 0.00 55.73 55.90 1i4k s ARG 63 Cb -0.15 -3.57 1.10 0.00 -0.45 0.00 0.00 34.95 31.88 1i4k s ARG 63 CO 0.04 -0.51 1.69 0.78 -0.68 0.00 0.00 175.30 176.63 1i4k h GLY 64 N 8.30 1.79 0.34 -3.53 0.00 -1.77 -0.96 103.07 107.22 1i4k h GLY 64 Ca -0.36 -0.23 0.13 0.00 0.00 0.00 0.00 47.33 46.88 1i4k h GLY 64 CO 0.89 -0.37 0.50 -1.80 0.00 0.00 0.00 176.54 175.77 1i4k h ASP 65 N 0.36 0.67 0.36 0.19 1.82 -1.87 -1.61 116.42 116.34 1i4k h ASP 65 Ca 0.70 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.42 1i4k h ASP 65 Cb 1.67 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1i4k h ASP 65 CO -0.50 0.32 -0.06 0.35 -1.61 0.00 0.00 179.24 177.74 1i4k n THR 66 N -4.78 0.00 -2.68 2.25 -2.24 -0.37 -4.87 114.28 101.59 1i4k n THR 66 Ca 0.17 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1i4k n THR 66 Cb 0.40 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.42 4.77 -0.21 2.28 1.01 -0.61 -1.19 120.40 124.03 1i4k s VAL 67 Ca 0.32 2.04 -0.19 0.00 0.00 0.00 0.00 61.98 64.15 1i4k s VAL 67 Cb 0.20 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 32.08 1i4k s VAL 67 CO 0.45 -0.02 0.14 0.52 0.00 0.00 0.00 175.10 176.19 1i4k n VAL 68 N 4.67 1.56 -3.77 2.92 0.31 0.53 -4.92 118.33 119.63 1i4k n VAL 68 Ca 0.09 -0.15 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1i4k n VAL 68 Cb 0.48 -1.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.41 -0.12 -0.02 3.52 -0.12 -1.10 -5.01 117.98 112.72 1i4k s PHE 69 Ca -0.30 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1i4k s PHE 69 Cb 0.07 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 43.13 1i4k s PHE 69 CO 0.59 -0.89 -0.04 0.08 -0.05 0.00 0.00 175.22 174.91 1i4k s VAL 70 N -3.29 0.44 -0.05 -2.49 1.01 -1.26 -1.39 120.40 113.38 1i4k s VAL 70 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1i4k s VAL 70 Cb -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1i4k s VAL 70 CO 0.03 0.17 0.20 -0.94 0.00 0.00 0.00 175.10 174.56 1i4k s SER 71 N 0.46 -0.15 0.28 3.32 1.04 -0.24 -4.98 113.70 113.43 1i4k s SER 71 Ca -0.05 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1i4k s SER 71 Cb -0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1i4k s SER 71 CO -0.00 -0.18 0.00 -2.65 0.98 0.00 0.00 173.24 171.39 1i4k n PRO 72 N 2.44 0.83 -1.32 4.02 -0.02 -1.26 -0.05 135.00 139.63 1i4k n PRO 72 Ca -0.16 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.31 1i4k n PRO 72 Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.07 1i4k n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i4k n ALA 73 N -2.37 -0.85 0.00 3.55 0.00 -1.23 -3.92 120.51 115.70 1i4k n ALA 73 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1i4k n ALA 73 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1i4k n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20