#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 4.33 0.66 -0.52 1.81 -1.26 -4.88 118.95 119.10 1i4k s ARG 4 Ca 0.00 2.09 0.42 0.00 -1.72 0.00 0.00 55.73 56.51 1i4k s ARG 4 Cb 0.00 -3.22 2.28 0.00 -0.45 0.00 0.00 34.95 33.56 1i4k s ARG 4 CO 0.00 -0.39 2.30 -1.35 -0.68 0.00 0.00 175.30 175.19 1i4k h PRO 5 N 6.29 0.00 0.02 3.54 0.11 -2.06 -0.49 132.00 139.41 1i4k h PRO 5 Ca -0.43 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.47 1i4k h PRO 5 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1i4k h PRO 5 CO 0.83 0.00 -1.00 1.25 -0.21 0.00 0.00 178.00 178.88 1i4k h LEU 6 N 0.00 0.12 -0.30 2.35 5.85 -2.00 -2.95 115.31 118.38 1i4k h LEU 6 Ca 0.00 -0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.41 1i4k h LEU 6 Cb 0.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1i4k h LEU 6 CO -0.00 1.04 -0.72 0.44 -0.34 0.00 0.00 178.44 178.86 1i4k h ASP 7 N 0.03 0.74 0.13 1.25 3.32 -1.48 -2.61 116.42 117.81 1i4k h ASP 7 Ca -0.04 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1i4k h ASP 7 Cb 1.72 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1i4k h ASP 7 CO 0.14 1.24 -0.09 0.58 -1.72 0.00 0.00 179.24 179.39 1i4k h VAL 8 N 0.44 0.90 0.00 -1.35 2.07 -1.45 0.03 116.25 116.89 1i4k h VAL 8 Ca -0.03 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1i4k h VAL 8 Cb 1.32 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1i4k h VAL 8 CO 0.14 0.09 -0.70 0.25 0.02 0.00 0.00 177.57 177.37 1i4k h LEU 9 N 0.00 0.00 0.35 2.57 5.85 -1.32 -3.34 115.31 119.43 1i4k h LEU 9 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i4k h LEU 9 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1i4k h LEU 9 CO 0.01 0.70 -0.17 -1.13 -0.34 0.00 0.00 178.44 177.51 1i4k h ASN 10 N 0.00 -0.40 0.00 1.25 -0.00 -0.64 -3.14 115.58 112.66 1i4k h ASN 10 Ca -0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.14 1i4k h ASN 10 Cb 1.42 0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.85 1i4k h ASN 10 CO 0.09 -0.01 0.00 -2.11 -0.00 0.00 0.00 177.43 175.40 1i4k n ARG 11 N -5.14 0.23 -0.11 6.67 1.85 -0.92 -1.63 116.66 117.60 1i4k n ARG 11 Ca -0.09 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.80 1i4k n ARG 11 Cb 0.27 -1.14 0.07 0.00 -1.05 0.00 0.00 32.46 30.61 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 0.44 1.70 -4.76 2.89 7.64 -1.18 -5.03 113.62 115.31 1i4k n SER 12 Ca 0.00 -2.45 -0.40 0.00 1.01 0.00 0.00 58.87 57.03 1i4k n SER 12 Cb 0.06 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.69 4.52 -1.30 -3.43 1.43 -0.64 -3.00 118.68 114.57 1i4k s LEU 13 Ca 0.16 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1i4k s LEU 13 Cb 0.14 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1i4k s LEU 13 CO 0.01 -0.09 0.00 0.29 0.23 0.00 0.00 176.35 176.79 1i4k n LYS 14 N 1.08 -0.98 -4.45 1.70 5.02 0.12 -4.97 118.16 115.68 1i4k n LYS 14 Ca -0.00 0.84 -0.22 0.00 -2.02 0.00 0.00 58.31 56.90 1i4k n LYS 14 Cb 0.46 -4.97 -0.10 0.00 -0.02 0.00 0.00 35.03 30.40 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 -2.67 2.86 -0.29 4.39 0.01 -1.16 -4.94 113.70 111.90 1i4k s SER 15 Ca 0.00 -1.21 -0.28 0.00 1.31 0.00 0.00 55.95 55.77 1i4k s SER 15 Cb 0.00 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1i4k s SER 15 CO 0.00 -0.35 1.00 -2.16 0.41 0.00 0.00 173.24 172.14 1i4k s PRO 16 N -3.73 4.10 0.19 12.44 0.04 -1.26 -2.44 135.00 144.34 1i4k s PRO 16 Ca 0.30 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.49 1i4k s PRO 16 Cb 0.04 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1i4k s PRO 16 CO 0.13 -0.77 -0.21 0.14 0.04 0.00 0.00 177.00 176.33 1i4k s VAL 17 N 3.37 2.12 -0.16 -0.36 -7.23 0.45 -0.47 120.40 118.13 1i4k s VAL 17 Ca 0.42 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1i4k s VAL 17 Cb -0.13 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1i4k s VAL 17 CO 0.12 -0.24 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.90 1i4k s ILE 18 N -1.94 2.82 -0.29 -0.62 1.01 0.55 -1.92 121.20 120.81 1i4k s ILE 18 Ca 0.20 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1i4k s ILE 18 Cb -0.07 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.27 1i4k s ILE 18 CO 0.09 0.51 -0.03 -0.69 0.00 0.00 0.00 174.94 174.82 1i4k s VAL 19 N 0.79 2.54 -0.31 2.92 1.01 0.13 -1.22 120.40 126.25 1i4k s VAL 19 Ca -0.05 -1.68 -0.22 0.00 0.00 0.00 0.00 61.98 60.04 1i4k s VAL 19 Cb -0.15 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1i4k s VAL 19 CO 0.01 -0.18 0.70 -0.60 0.00 0.00 0.00 175.10 175.03 1i4k s ARG 20 N 1.13 3.91 -0.08 2.72 6.06 -0.69 -0.41 118.95 131.59 1i4k s ARG 20 Ca -0.04 0.41 -0.14 0.00 -2.50 0.00 0.00 55.73 53.46 1i4k s ARG 20 Cb -0.20 -3.73 -0.05 0.00 0.06 0.00 0.00 34.95 31.03 1i4k s ARG 20 CO -0.04 -0.63 0.36 -0.51 -2.50 0.00 0.00 175.30 171.98 1i4k s LEU 21 N 2.78 4.37 -0.02 -0.88 1.43 -0.72 -0.17 118.68 125.46 1i4k s LEU 21 Ca 0.28 0.76 -0.35 0.00 -1.03 0.00 0.00 54.13 53.79 1i4k s LEU 21 Cb -0.14 -2.49 -0.13 0.00 0.03 0.00 0.00 46.19 43.45 1i4k s LEU 21 CO 0.12 0.21 1.73 2.29 0.23 0.00 0.00 176.35 180.94 1i4k n LYS 22 N 2.66 1.97 0.00 1.70 2.85 0.73 -2.88 118.16 125.20 1i4k n LYS 22 Ca -0.13 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 1i4k n LYS 22 Cb 0.52 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1i4k n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i4k n GLY 23 N 3.93 1.90 4.29 2.58 0.00 -1.26 -4.81 105.19 111.82 1i4k n GLY 23 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.27 2.02 1.98 -0.02 0.00 -1.14 -4.97 105.19 102.79 1i4k n GLY 24 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1i4k n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i4k n ARG 25 N 0.00 0.00 -4.33 1.61 0.63 -1.26 -4.57 116.66 108.74 1i4k n ARG 25 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1i4k n ARG 25 Cb 0.00 -0.67 -0.10 0.00 0.45 0.00 0.00 32.46 32.14 1i4k n ARG 25 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1i4k s GLU 26 N -0.38 1.30 0.02 -0.14 2.12 0.58 -1.76 118.70 120.44 1i4k s GLU 26 Ca 0.42 -1.60 0.02 0.00 0.36 0.00 0.00 54.97 54.18 1i4k s GLU 26 Cb -0.60 -0.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.83 1i4k s GLU 26 CO 0.32 0.10 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.01 1i4k s PHE 27 N -3.12 0.67 -0.06 5.30 0.40 0.45 -0.93 117.98 120.70 1i4k s PHE 27 Ca 0.23 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1i4k s PHE 27 Cb 0.01 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.16 1i4k s PHE 27 CO 0.06 -0.03 0.01 0.50 0.70 0.00 0.00 175.22 176.46 1i4k s ARG 28 N -0.82 0.46 0.00 0.44 3.52 -1.00 0.18 118.95 121.73 1i4k s ARG 28 Ca -0.02 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1i4k s ARG 28 Cb -0.06 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 1i4k s ARG 28 CO 0.00 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1i4k n GLY 29 N 5.05 1.42 3.66 8.12 0.00 -0.81 -0.71 105.19 121.92 1i4k n GLY 29 Ca -0.09 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.35 5.12 -0.36 2.61 2.01 -0.82 -0.41 115.64 121.44 1i4k s THR 30 Ca 0.00 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1i4k s THR 30 Cb 0.00 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1i4k s THR 30 CO 0.00 0.42 1.22 -0.22 -0.69 0.00 0.00 174.62 175.35 1i4k s LEU 31 N 0.61 3.79 -0.18 4.42 2.96 -1.02 -1.15 118.68 128.11 1i4k s LEU 31 Ca 0.06 0.94 0.13 0.00 -0.22 0.00 0.00 54.13 55.04 1i4k s LEU 31 Cb -0.12 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1i4k s LEU 31 CO 0.01 -1.12 0.15 -0.67 -1.32 0.00 0.00 176.35 173.39 1i4k n ASP 32 N 7.66 0.59 -3.45 3.68 2.03 0.18 0.10 116.55 127.34 1i4k n ASP 32 Ca 0.14 0.07 -0.02 0.00 0.52 0.00 0.00 54.79 55.49 1i4k n ASP 32 Cb 0.47 0.48 0.02 0.00 -0.72 0.00 0.00 41.12 41.37 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 -5.59 0.08 0.01 0.27 0.00 -1.22 -4.86 107.32 96.01 1i4k s GLY 33 Ca -0.14 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.01 1i4k s GLY 33 CO 0.79 3.27 1.22 -2.52 0.00 0.00 0.00 173.10 175.86 1i4k s TYR 34 N -2.10 -0.06 0.40 1.90 -0.85 -1.26 -2.56 117.35 112.83 1i4k s TYR 34 Ca 0.24 -0.08 0.04 0.00 -0.52 0.00 0.00 57.07 56.75 1i4k s TYR 34 Cb -0.02 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 1i4k s TYR 34 CO 0.04 -0.38 0.13 -0.40 -1.52 0.00 0.00 175.55 173.42 1i4k n ASP 35 N -0.48 1.41 0.13 -0.18 5.68 -1.07 -4.96 116.55 117.08 1i4k n ASP 35 Ca -0.08 -3.11 0.06 0.00 -0.50 0.00 0.00 54.79 51.16 1i4k n ASP 35 Cb 0.62 0.94 0.52 0.00 -1.14 0.00 0.00 41.12 42.06 1i4k n ASP 35 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1i4k h ILE 36 N 1.62 1.07 -0.18 2.12 5.03 -2.01 -0.69 117.51 124.46 1i4k h ILE 36 Ca -0.32 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1i4k h ILE 36 Cb 1.18 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1i4k h ILE 36 CO 0.50 0.07 0.00 1.41 -0.68 0.00 0.00 178.15 179.45 1i4k n HIS 37 N -4.48 0.24 -1.56 1.37 8.25 -1.26 -4.91 115.22 112.87 1i4k n HIS 37 Ca -0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 1i4k n HIS 37 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1i4k n HIS 37 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1i4k n MET 38 N 0.10 -0.78 -1.68 -0.41 2.81 -0.26 -4.27 117.12 112.63 1i4k n MET 38 Ca 0.12 0.78 -0.34 0.00 -1.81 0.00 0.00 57.70 56.45 1i4k n MET 38 Cb 0.23 -4.77 0.06 0.00 -0.71 0.00 0.00 33.22 28.03 1i4k n MET 38 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1i4k s ASN 39 N -2.78 4.73 0.18 7.83 0.01 -1.26 -3.90 114.94 119.75 1i4k s ASN 39 Ca 0.00 2.25 0.04 0.00 -0.71 0.00 0.00 52.86 54.44 1i4k s ASN 39 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1i4k s ASN 39 CO 0.00 -1.90 -0.06 -0.76 -1.51 0.00 0.00 177.10 172.87 1i4k s LEU 40 N -4.80 2.39 -0.20 0.60 1.43 0.57 -2.61 118.68 116.05 1i4k s LEU 40 Ca 0.73 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1i4k s LEU 40 Cb -0.26 -0.32 0.07 0.00 0.03 0.00 0.00 46.19 45.70 1i4k s LEU 40 CO 0.41 -0.40 0.07 -0.69 0.23 0.00 0.00 176.35 175.97 1i4k s VAL 41 N -3.36 0.23 0.09 -1.59 1.01 -1.06 0.10 120.40 115.82 1i4k s VAL 41 Ca 0.22 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1i4k s VAL 41 Cb 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1i4k s VAL 41 CO 0.04 -0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 173.99 1i4k s LEU 42 N 1.99 3.20 0.15 3.92 1.43 -0.63 -0.65 118.68 128.09 1i4k s LEU 42 Ca 0.02 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1i4k s LEU 42 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1i4k s LEU 42 CO -0.13 0.19 -0.21 -0.76 0.23 0.00 0.00 176.35 175.67 1i4k s LEU 43 N -2.18 2.39 -1.51 1.79 1.43 -0.30 -1.14 118.68 119.17 1i4k s LEU 43 Ca 0.23 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1i4k s LEU 43 Cb -0.11 -0.95 0.07 0.00 0.03 0.00 0.00 46.19 45.22 1i4k s LEU 43 CO 0.15 0.04 0.69 0.47 0.23 0.00 0.00 176.35 177.93 1i4k n ASP 44 N 0.55 -2.30 -4.91 2.29 9.92 -0.62 -1.94 116.55 119.54 1i4k n ASP 44 Ca -0.15 -0.94 -0.29 0.00 -0.53 0.00 0.00 54.79 52.88 1i4k n ASP 44 Cb 0.55 -3.27 -0.04 0.00 -0.64 0.00 0.00 41.12 37.73 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 -3.58 3.72 -0.11 2.24 0.00 -0.91 -4.62 121.76 118.50 1i4k s ALA 45 Ca 0.37 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1i4k s ALA 45 Cb -0.19 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1i4k s ALA 45 CO 0.88 0.45 -0.21 -1.21 0.00 0.00 0.00 175.76 175.67 1i4k s GLU 46 N -3.14 2.76 0.48 0.00 2.02 0.11 -1.21 118.70 119.73 1i4k s GLU 46 Ca 0.42 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 1i4k s GLU 46 Cb -0.11 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 1i4k s GLU 46 CO 0.27 0.08 1.03 -2.00 0.02 0.00 0.00 175.26 174.66 1i4k s GLU 47 N 0.57 3.84 -0.16 1.61 2.12 0.09 -2.39 118.70 124.38 1i4k s GLU 47 Ca -0.14 1.32 -0.04 0.00 0.36 0.00 0.00 54.97 56.47 1i4k s GLU 47 Cb -0.17 -2.10 0.08 0.00 0.26 0.00 0.00 34.13 32.20 1i4k s GLU 47 CO 0.04 -0.39 0.25 0.42 -0.54 0.00 0.00 175.26 175.04 1i4k s ILE 48 N -2.03 -0.39 0.01 -3.70 1.01 -0.10 -2.34 121.20 113.66 1i4k s ILE 48 Ca 0.66 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.50 1i4k s ILE 48 Cb -0.15 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1i4k s ILE 48 CO 0.20 -0.02 -0.25 -1.10 0.00 0.00 0.00 174.94 173.76 1i4k s GLN 49 N 2.39 1.86 0.00 2.79 -0.21 -0.17 -0.30 119.66 126.02 1i4k s GLN 49 Ca 0.05 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1i4k s GLN 49 Cb -0.14 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1i4k s GLN 49 CO -0.10 0.51 0.00 0.09 -2.12 0.00 0.00 175.29 173.67 1i4k n ASN 50 N 2.11 0.00 0.00 5.90 4.13 -1.26 -1.75 115.26 124.39 1i4k n ASN 50 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1i4k n ASN 50 Cb 0.52 -1.04 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 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 -1.65 0.35 3.16 7.41 0.00 -1.26 -5.14 105.19 108.06 1i4k n GLY 51 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1i4k n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i4k s GLU 52 N 0.00 0.93 0.45 1.61 2.12 -0.72 -5.10 118.70 117.99 1i4k s GLU 52 Ca 0.00 -1.43 -0.25 0.00 0.36 0.00 0.00 54.97 53.65 1i4k s GLU 52 Cb 0.00 0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 1i4k s GLU 52 CO 0.00 -0.21 1.37 0.08 -0.54 0.00 0.00 175.26 175.96 1i4k s VAL 53 N -3.94 2.29 -0.17 3.70 1.01 -1.25 -1.00 120.40 121.05 1i4k s VAL 53 Ca 0.22 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1i4k s VAL 53 Cb 0.07 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.20 1i4k s VAL 53 CO 0.01 0.03 -0.15 0.52 0.00 0.00 0.00 175.10 175.51 1i4k n VAL 54 N -0.21 0.95 -3.58 2.92 0.31 -0.99 -4.83 118.33 112.89 1i4k n VAL 54 Ca 0.05 -0.36 -0.05 0.00 -0.01 0.00 0.00 64.34 63.97 1i4k n VAL 54 Cb 0.43 -1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 32.24 1i4k n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i4k s ARG 55 N -2.33 0.38 0.21 5.55 1.70 -1.26 -5.03 118.95 118.17 1i4k s ARG 55 Ca -0.22 -0.10 0.08 0.00 -0.47 0.00 0.00 55.73 55.02 1i4k s ARG 55 Cb 0.06 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1i4k s ARG 55 CO 0.38 -0.16 -0.01 0.21 -1.08 0.00 0.00 175.30 174.64 1i4k s LYS 56 N -2.25 2.33 0.03 3.89 2.20 -1.26 -0.74 119.74 123.95 1i4k s LYS 56 Ca 0.08 -1.23 -0.03 0.00 -0.36 0.00 0.00 55.97 54.42 1i4k s LYS 56 Cb -0.01 -2.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.03 1i4k s LYS 56 CO -0.05 0.42 0.04 0.14 -0.36 0.00 0.00 175.35 175.54 1i4k s VAL 57 N -1.94 0.13 0.26 4.02 -7.23 -0.35 -4.98 120.40 110.32 1i4k s VAL 57 Ca 0.28 -1.11 0.13 0.00 -1.81 0.00 0.00 61.98 59.47 1i4k s VAL 57 Cb -0.08 -0.73 0.02 0.00 0.56 0.00 0.00 36.38 36.15 1i4k s VAL 57 CO 0.19 -0.61 1.66 1.23 -0.31 0.00 0.00 175.10 177.26 1i4k h GLY 58 N 3.98 0.00 -3.40 2.32 0.00 -1.94 -2.42 103.07 101.61 1i4k h GLY 58 Ca -0.32 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.05 1i4k h GLY 58 CO 0.49 0.00 0.37 -1.35 0.00 0.00 0.00 176.54 176.05 1i4k s SER 59 N -6.76 -0.47 -0.18 0.19 1.04 -1.26 -1.59 113.70 104.67 1i4k s SER 59 Ca -0.01 0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 1i4k s SER 59 Cb 0.12 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1i4k s SER 59 CO 0.74 -0.71 0.45 0.68 0.98 0.00 0.00 173.24 175.38 1i4k s VAL 60 N -2.95 -0.02 -0.26 5.02 -7.23 -0.29 -4.99 120.40 109.69 1i4k s VAL 60 Ca 0.01 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 1i4k s VAL 60 Cb -0.01 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 1i4k s VAL 60 CO -0.07 0.02 0.25 -0.69 -0.31 0.00 0.00 175.10 174.30 1i4k s VAL 61 N 1.12 5.28 -0.10 1.32 1.01 -1.26 -1.61 120.40 126.16 1i4k s VAL 61 Ca -0.07 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1i4k s VAL 61 Cb -0.07 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1i4k s VAL 61 CO -0.10 0.25 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 1i4k s ILE 62 N 1.61 3.62 0.01 2.22 1.01 0.11 -4.93 121.20 124.85 1i4k s ILE 62 Ca 0.10 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1i4k s ILE 62 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1i4k s ILE 62 CO 0.09 0.56 1.17 -0.13 0.00 0.00 0.00 174.94 176.62 1i4k s ARG 63 N -0.28 4.42 0.58 2.79 1.81 -1.26 -0.32 118.95 126.69 1i4k s ARG 63 Ca 0.04 1.68 0.32 0.00 -1.72 0.00 0.00 55.73 56.04 1i4k s ARG 63 Cb -0.13 -3.45 1.78 0.00 -0.45 0.00 0.00 34.95 32.71 1i4k s ARG 63 CO 0.03 -0.30 2.20 0.78 -0.68 0.00 0.00 175.30 177.33 1i4k h GLY 64 N 7.35 0.00 0.29 -3.53 0.00 -1.74 -2.53 103.07 102.90 1i4k h GLY 64 Ca -0.39 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.11 1i4k h GLY 64 CO 0.83 0.00 0.62 -1.80 0.00 0.00 0.00 176.54 176.19 1i4k h ASP 65 N 0.00 0.80 -0.54 0.19 1.82 -1.90 -0.56 116.42 116.23 1i4k h ASP 65 Ca -0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1i4k h ASP 65 Cb 0.14 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1i4k h ASP 65 CO 0.01 0.35 0.00 0.35 -1.61 0.00 0.00 179.24 178.33 1i4k n THR 66 N -4.68 0.95 -3.39 2.25 -2.24 -0.95 -4.92 114.28 101.30 1i4k n THR 66 Ca 0.21 -0.79 -0.38 0.00 -2.27 0.00 0.00 64.05 60.82 1i4k n THR 66 Cb 0.50 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.42 5.22 -0.20 2.28 1.01 -0.22 -0.19 120.40 126.87 1i4k s VAL 67 Ca 0.38 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 1i4k s VAL 67 Cb 0.21 -3.75 -0.20 0.00 0.00 0.00 0.00 36.38 32.64 1i4k s VAL 67 CO 0.23 0.31 0.02 0.52 0.00 0.00 0.00 175.10 176.19 1i4k n VAL 68 N 3.89 1.61 -3.52 2.92 0.31 0.76 -4.79 118.33 119.52 1i4k n VAL 68 Ca -0.08 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1i4k n VAL 68 Cb 0.51 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.80 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 -2.52 -0.36 -0.01 3.52 -0.12 -1.16 -5.02 117.98 112.30 1i4k s PHE 69 Ca -0.30 0.19 0.02 0.00 -0.05 0.00 0.00 56.93 56.79 1i4k s PHE 69 Cb 0.08 0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 43.03 1i4k s PHE 69 CO 0.66 -0.65 -0.07 0.08 -0.05 0.00 0.00 175.22 175.19 1i4k s VAL 70 N -3.29 0.52 0.04 -2.49 1.01 -1.26 -1.70 120.40 113.23 1i4k s VAL 70 Ca 0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1i4k s VAL 70 Cb -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1i4k s VAL 70 CO -0.08 0.15 0.41 -0.94 0.00 0.00 0.00 175.10 174.63 1i4k s SER 71 N -0.14 -0.28 0.35 3.32 1.04 -0.36 -4.95 113.70 112.68 1i4k s SER 71 Ca 0.02 0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 1i4k s SER 71 Cb -0.03 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 1i4k s SER 71 CO -0.00 -0.65 1.14 -2.16 0.98 0.00 0.00 173.24 172.54 1i4k s PRO 72 N -2.40 4.31 0.00 4.02 0.04 -1.26 0.21 135.00 139.92 1i4k s PRO 72 Ca -0.06 1.81 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1i4k s PRO 72 Cb -0.01 -2.87 0.13 0.00 0.04 0.00 0.00 34.50 31.79 1i4k s PRO 72 CO -0.02 -0.09 0.62 0.00 0.04 0.00 0.00 177.00 177.55