#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 4.02 0.23 -0.52 1.81 -1.26 -4.93 118.95 118.29 1i4k s ARG 4 Ca 0.00 2.42 -0.07 0.00 -1.72 0.00 0.00 55.73 56.36 1i4k s ARG 4 Cb 0.00 -2.87 0.36 0.00 -0.45 0.00 0.00 34.95 31.98 1i4k s ARG 4 CO 0.00 -0.55 1.77 -1.35 -0.68 0.00 0.00 175.30 174.49 1i4k h PRO 5 N 2.83 0.54 -0.92 3.54 0.11 -2.05 -2.40 132.00 133.64 1i4k h PRO 5 Ca -0.50 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1i4k h PRO 5 Cb 1.25 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1i4k h PRO 5 CO 0.63 0.36 0.60 -0.07 -0.21 0.00 0.00 178.00 179.31 1i4k h LEU 6 N 0.56 0.92 -0.77 2.35 -0.00 -1.99 -2.02 115.31 114.37 1i4k h LEU 6 Ca 0.36 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 58.33 1i4k h LEU 6 Cb 0.42 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 40.82 1i4k h LEU 6 CO -0.30 0.58 0.43 0.44 -0.00 0.00 0.00 178.44 179.59 1i4k h ASP 7 N 1.04 0.61 -0.06 -0.43 3.32 -1.81 0.28 116.42 119.37 1i4k h ASP 7 Ca 0.40 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1i4k h ASP 7 Cb 0.22 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1i4k h ASP 7 CO -0.16 0.36 -0.02 0.58 -1.72 0.00 0.00 179.24 178.28 1i4k h VAL 8 N 0.73 1.12 -0.39 -1.35 2.07 -1.40 0.17 116.25 117.20 1i4k h VAL 8 Ca 0.36 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1i4k h VAL 8 Cb 0.32 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1i4k h VAL 8 CO -0.24 0.16 -0.26 -0.07 0.02 0.00 0.00 177.57 177.18 1i4k h LEU 9 N 0.23 0.90 -0.38 2.57 3.38 -0.37 -2.70 115.31 118.94 1i4k h LEU 9 Ca 0.05 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1i4k h LEU 9 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1i4k h LEU 9 CO 0.01 1.13 0.13 -1.13 0.09 0.00 0.00 178.44 178.67 1i4k h ASN 10 N 0.67 0.54 0.00 -0.43 -0.73 -0.11 -1.21 115.58 114.31 1i4k h ASN 10 Ca 0.08 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1i4k h ASN 10 Cb 0.83 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1i4k h ASN 10 CO 0.07 0.58 0.24 -0.09 -0.37 0.00 0.00 177.43 177.87 1i4k h ARG 11 N 0.46 0.00 -0.01 6.67 2.43 -0.58 -0.20 114.38 123.15 1i4k h ARG 11 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1i4k h ARG 11 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1i4k h ARG 11 CO -0.01 0.00 -0.51 0.43 -1.51 0.00 0.00 179.97 178.37 1i4k n SER 12 N -2.87 1.66 -4.58 -3.80 7.64 -0.47 -4.99 113.62 106.21 1i4k n SER 12 Ca -0.02 -1.29 -0.50 0.00 1.01 0.00 0.00 58.87 58.07 1i4k n SER 12 Cb 0.29 0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1i4k n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i4k n LEU 13 N -0.39 1.45 -3.27 -3.43 4.77 -0.09 -2.73 117.00 113.32 1i4k n LEU 13 Ca 0.09 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.07 1i4k n LEU 13 Cb 0.42 -1.19 0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1i4k n LEU 13 CO 0.30 -1.29 0.10 0.29 -1.33 0.00 0.00 177.39 175.46 1i4k n LYS 14 N 1.91 -1.85 -3.57 3.23 5.02 0.19 -5.02 118.16 118.07 1i4k n LYS 14 Ca 0.16 0.99 -0.11 0.00 -2.02 0.00 0.00 58.31 57.33 1i4k n LYS 14 Cb 0.23 -5.51 -0.05 0.00 -0.02 0.00 0.00 35.03 29.67 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 -3.28 -0.38 0.75 4.39 0.01 -1.11 -5.00 113.70 109.08 1i4k s SER 15 Ca 0.32 0.42 -0.13 0.00 1.31 0.00 0.00 55.95 57.88 1i4k s SER 15 Cb -0.06 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.53 1i4k s SER 15 CO 0.76 -0.35 1.12 -2.16 0.41 0.00 0.00 173.24 173.02 1i4k s PRO 16 N -1.11 2.27 0.14 12.44 0.04 -1.26 -1.49 135.00 146.03 1i4k s PRO 16 Ca -0.02 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1i4k s PRO 16 Cb -0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1i4k s PRO 16 CO 0.02 -1.66 0.31 0.14 0.04 0.00 0.00 177.00 175.85 1i4k s VAL 17 N -2.55 0.08 -0.19 -0.36 -7.23 0.35 -3.72 120.40 106.79 1i4k s VAL 17 Ca 0.66 -1.10 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1i4k s VAL 17 Cb -0.21 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1i4k s VAL 17 CO 0.50 -0.39 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.20 1i4k s ILE 18 N -3.89 3.33 -0.20 -0.62 1.01 0.48 -3.17 121.20 118.14 1i4k s ILE 18 Ca 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1i4k s ILE 18 Cb 0.03 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 40.06 1i4k s ILE 18 CO -0.06 0.46 -0.14 -0.69 0.00 0.00 0.00 174.94 174.51 1i4k s VAL 19 N 1.01 1.92 -0.21 2.92 1.01 -0.73 -0.30 120.40 126.02 1i4k s VAL 19 Ca -0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1i4k s VAL 19 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1i4k s VAL 19 CO -0.00 0.29 0.09 -0.60 0.00 0.00 0.00 175.10 174.88 1i4k s ARG 20 N 1.29 3.97 0.28 2.72 3.52 -0.91 -0.85 118.95 128.98 1i4k s ARG 20 Ca -0.00 -0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 1i4k s ARG 20 Cb -0.16 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1i4k s ARG 20 CO -0.09 0.15 0.40 -0.51 -0.81 0.00 0.00 175.30 174.44 1i4k s LEU 21 N 0.75 4.15 0.23 -0.88 1.43 0.07 -0.44 118.68 123.99 1i4k s LEU 21 Ca 0.05 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1i4k s LEU 21 Cb -0.13 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.18 1i4k s LEU 21 CO 0.02 -0.23 1.68 -0.54 0.23 0.00 0.00 176.35 177.51 1i4k s LYS 22 N -4.06 4.13 0.00 1.70 1.02 -0.05 -1.67 119.74 120.81 1i4k s LYS 22 Ca 0.39 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.96 1i4k s LYS 22 Cb -0.09 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1i4k s LYS 22 CO 0.30 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1i4k n GLY 23 N 3.46 2.09 0.00 -3.33 0.00 -1.26 -4.57 105.19 101.58 1i4k n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.77 0.20 3.74 -0.02 0.00 -0.67 -5.08 105.19 102.59 1i4k n GLY 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.89 2.07 0.03 1.61 3.52 -1.24 -4.73 118.95 119.32 1i4k s ARG 25 Ca 0.00 1.38 -0.01 0.00 -0.13 0.00 0.00 55.73 56.96 1i4k s ARG 25 Cb 0.00 -1.86 -0.03 0.00 -1.56 0.00 0.00 34.95 31.50 1i4k s ARG 25 CO 0.00 -1.81 -0.01 -1.21 -0.81 0.00 0.00 175.30 171.46 1i4k s GLU 26 N -4.56 0.48 -0.05 5.12 2.02 -1.13 -0.75 118.70 119.83 1i4k s GLU 26 Ca 0.65 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1i4k s GLU 26 Cb -0.21 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.21 1i4k s GLU 26 CO 0.52 -0.09 -0.05 -0.06 0.02 0.00 0.00 175.26 175.60 1i4k s PHE 27 N -2.64 0.83 -0.21 1.61 0.40 -0.03 -0.64 117.98 117.30 1i4k s PHE 27 Ca -0.05 -0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1i4k s PHE 27 Cb -0.01 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 1i4k s PHE 27 CO -0.05 -0.20 -0.03 1.03 0.70 0.00 0.00 175.22 176.67 1i4k s ARG 28 N 0.89 3.47 0.09 0.44 1.81 -1.12 -1.77 118.95 122.76 1i4k s ARG 28 Ca -0.11 -0.58 -0.26 0.00 -1.72 0.00 0.00 55.73 53.05 1i4k s ARG 28 Cb -0.14 -3.03 0.09 0.00 -0.45 0.00 0.00 34.95 31.41 1i4k s ARG 28 CO 0.01 -0.11 1.13 0.20 -0.68 0.00 0.00 175.30 175.85 1i4k s GLY 29 N 1.27 -0.13 -0.42 -3.53 0.00 -1.19 -0.89 107.32 102.43 1i4k s GLY 29 Ca 0.03 0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 1i4k s GLY 29 CO -0.01 1.98 0.56 -1.59 0.00 0.00 0.00 173.10 174.04 1i4k s THR 30 N -2.44 4.93 -0.30 0.90 2.01 -0.66 -0.50 115.64 119.58 1i4k s THR 30 Ca 0.19 0.01 -0.33 0.00 0.31 0.00 0.00 61.69 61.87 1i4k s THR 30 Cb -0.00 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 1i4k s THR 30 CO 0.01 -0.49 2.18 -0.11 -0.69 0.00 0.00 174.62 175.53 1i4k n LEU 31 N 5.98 2.47 -0.01 4.42 7.94 -0.56 -1.76 117.00 135.48 1i4k n LEU 31 Ca -0.04 0.39 0.07 0.00 -1.11 0.00 0.00 56.01 55.32 1i4k n LEU 31 Cb 0.48 -1.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.01 1i4k n LEU 31 CO 0.50 -0.69 -0.02 -0.67 -1.11 0.00 0.00 177.39 175.40 1i4k n ASP 32 N 10.13 0.67 -3.65 1.96 2.03 0.61 -0.63 116.55 127.66 1i4k n ASP 32 Ca 0.37 -0.84 0.02 0.00 0.52 0.00 0.00 54.79 54.87 1i4k n ASP 32 Cb 0.29 0.99 -0.00 0.00 -0.72 0.00 0.00 41.12 41.67 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 -2.29 -0.36 0.04 0.27 0.00 -1.12 -4.85 107.32 99.01 1i4k s GLY 33 Ca 0.05 0.56 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 1i4k s GLY 33 CO 0.56 1.35 1.19 -2.52 0.00 0.00 0.00 173.10 173.68 1i4k s TYR 34 N -2.30 -0.05 0.01 1.90 -0.85 -1.26 -1.90 117.35 112.90 1i4k s TYR 34 Ca 0.18 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 1i4k s TYR 34 Cb 0.04 0.58 -0.00 0.00 0.38 0.00 0.00 41.96 42.96 1i4k s TYR 34 CO -0.03 -0.45 0.01 -0.40 -1.52 0.00 0.00 175.55 173.16 1i4k n ASP 35 N -0.56 -0.02 -0.13 -0.18 5.68 -1.07 -4.95 116.55 115.32 1i4k n ASP 35 Ca -0.07 -1.04 -0.06 0.00 -0.50 0.00 0.00 54.79 53.12 1i4k n ASP 35 Cb 0.62 0.04 0.02 0.00 -1.14 0.00 0.00 41.12 40.66 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 1.02 0.99 0.00 2.12 5.03 -2.04 -1.47 117.51 123.17 1i4k h ILE 36 Ca -0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.58 1i4k h ILE 36 Cb 0.02 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 1i4k h ILE 36 CO 0.01 0.08 0.00 1.41 -0.68 0.00 0.00 178.15 178.97 1i4k n HIS 37 N -4.90 0.00 -2.07 1.37 8.25 -1.26 -4.84 115.22 111.77 1i4k n HIS 37 Ca 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1i4k n HIS 37 Cb 0.09 -0.20 -0.00 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 -1.20 -0.34 -2.34 -0.41 1.56 -0.55 -4.18 117.12 109.65 1i4k n MET 38 Ca 0.10 0.21 -0.37 0.00 -0.27 0.00 0.00 57.70 57.38 1i4k n MET 38 Cb 0.12 -3.95 -0.02 0.00 2.15 0.00 0.00 33.22 31.52 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 -2.81 6.34 0.16 6.12 0.01 -1.26 -3.65 114.94 119.85 1i4k s ASN 39 Ca 0.00 2.23 0.09 0.00 -0.71 0.00 0.00 52.86 54.46 1i4k s ASN 39 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1i4k s ASN 39 CO 0.00 -0.79 -0.20 -0.76 -1.51 0.00 0.00 177.10 173.84 1i4k s LEU 40 N -2.92 2.41 -0.15 0.60 1.43 0.20 -2.58 118.68 117.66 1i4k s LEU 40 Ca 0.62 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1i4k s LEU 40 Cb -0.27 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1i4k s LEU 40 CO 0.32 0.01 -0.17 -0.69 0.23 0.00 0.00 176.35 176.05 1i4k s VAL 41 N -1.80 1.78 -0.11 -1.59 1.01 -0.80 -0.29 120.40 118.61 1i4k s VAL 41 Ca 0.15 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1i4k s VAL 41 Cb -0.07 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1i4k s VAL 41 CO 0.07 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.69 1i4k s LEU 42 N 1.28 2.24 -0.05 3.92 1.43 0.04 -0.29 118.68 127.25 1i4k s LEU 42 Ca 0.02 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1i4k s LEU 42 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1i4k s LEU 42 CO -0.09 0.16 0.10 -0.76 0.23 0.00 0.00 176.35 175.99 1i4k s LEU 43 N 0.37 4.08 -1.08 1.79 1.43 -0.73 -0.91 118.68 123.64 1i4k s LEU 43 Ca -0.17 0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 1i4k s LEU 43 Cb -0.17 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1i4k s LEU 43 CO 0.08 0.33 0.73 0.47 0.23 0.00 0.00 176.35 178.19 1i4k n ASP 44 N 1.54 -5.19 -4.90 2.29 8.00 0.22 -1.66 116.55 116.85 1i4k n ASP 44 Ca -0.16 -1.00 -0.22 0.00 0.71 0.00 0.00 54.79 54.12 1i4k n ASP 44 Cb 0.53 -2.86 -0.01 0.00 -0.02 0.00 0.00 41.12 38.76 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 -3.37 4.24 -0.15 2.24 0.00 -0.18 -4.40 121.76 120.14 1i4k s ALA 45 Ca 0.37 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 1i4k s ALA 45 Cb -0.16 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.08 1i4k s ALA 45 CO 0.88 -0.37 0.34 -1.83 0.00 0.00 0.00 175.76 174.78 1i4k s GLU 46 N -4.23 0.25 -0.47 0.00 -1.05 -0.07 -1.75 118.70 111.39 1i4k s GLU 46 Ca 0.45 0.81 -0.27 0.00 -0.15 0.00 0.00 54.97 55.81 1i4k s GLU 46 Cb -0.03 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 1i4k s GLU 46 CO 0.27 -0.23 1.86 -2.00 0.95 0.00 0.00 175.26 176.10 1i4k s GLU 47 N 2.12 2.93 -0.81 -4.83 2.12 0.97 -2.81 118.70 118.40 1i4k s GLU 47 Ca -0.03 1.04 -0.22 0.00 0.36 0.00 0.00 54.97 56.12 1i4k s GLU 47 Cb -0.11 -4.31 0.08 0.00 0.26 0.00 0.00 34.13 30.06 1i4k s GLU 47 CO -0.11 -2.35 1.12 0.42 -0.54 0.00 0.00 175.26 173.81 1i4k s ILE 48 N 8.21 4.34 -0.18 -3.70 1.01 0.19 -0.69 121.20 130.37 1i4k s ILE 48 Ca 0.75 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 1i4k s ILE 48 Cb -0.17 -4.79 -0.05 0.00 0.01 0.00 0.00 42.46 37.46 1i4k s ILE 48 CO 0.27 -1.58 0.16 -1.58 0.00 0.00 0.00 174.94 172.20 1i4k s GLN 49 N 3.91 4.07 -1.54 2.79 2.00 -0.42 -2.83 119.66 127.65 1i4k s GLN 49 Ca 0.30 -0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.50 1i4k s GLN 49 Cb -0.10 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1i4k s GLN 49 CO 0.01 0.37 0.00 0.09 -0.50 0.00 0.00 175.29 175.27 1i4k n ASN 50 N 3.26 -5.23 -2.68 6.67 3.02 -1.26 -2.91 115.26 116.12 1i4k n ASN 50 Ca -0.16 -0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.21 1i4k n ASN 50 Cb 0.52 -4.31 0.06 0.00 -0.61 0.00 0.00 39.78 35.44 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i4k n GLY 51 N -1.02 -0.10 3.64 7.41 0.00 -1.26 -5.01 105.19 108.85 1i4k n GLY 51 Ca -0.21 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.86 0.66 0.01 1.61 2.12 -1.15 -5.12 118.70 110.97 1i4k s GLU 52 Ca 0.39 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.41 1i4k s GLU 52 Cb -0.17 0.21 -0.08 0.00 0.26 0.00 0.00 34.13 34.36 1i4k s GLU 52 CO 0.51 -0.11 1.82 0.08 -0.54 0.00 0.00 175.26 177.02 1i4k s VAL 53 N 1.08 3.23 -0.31 3.70 1.01 -1.26 -1.30 120.40 126.55 1i4k s VAL 53 Ca -0.06 0.32 0.11 0.00 0.00 0.00 0.00 61.98 62.36 1i4k s VAL 53 Cb -0.05 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 1i4k s VAL 53 CO -0.12 -0.03 0.37 1.33 0.00 0.00 0.00 175.10 176.66 1i4k n VAL 54 N 5.45 0.00 -3.61 2.92 0.24 0.13 -4.90 118.33 118.56 1i4k n VAL 54 Ca 0.19 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1i4k n VAL 54 Cb 0.42 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.41 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 -2.32 0.70 -0.13 7.34 3.52 -1.21 -4.98 118.95 121.86 1i4k s ARG 55 Ca 0.01 0.62 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 1i4k s ARG 55 Cb 0.08 0.34 -0.00 0.00 -1.56 0.00 0.00 34.95 33.80 1i4k s ARG 55 CO 0.45 -0.13 -0.18 0.15 -0.81 0.00 0.00 175.30 174.79 1i4k s LYS 56 N -0.10 3.20 -0.05 5.12 1.02 -1.26 -0.02 119.74 127.64 1i4k s LYS 56 Ca -0.00 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.23 1i4k s LYS 56 Cb -0.04 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1i4k s LYS 56 CO -0.01 0.11 -0.09 0.14 -0.92 0.00 0.00 175.35 174.59 1i4k s VAL 57 N 0.55 0.89 0.50 3.17 -7.23 -0.72 -5.01 120.40 112.55 1i4k s VAL 57 Ca -0.11 -0.34 0.38 0.00 -1.81 0.00 0.00 61.98 60.10 1i4k s VAL 57 Cb -0.16 -0.84 0.41 0.00 0.56 0.00 0.00 36.38 36.34 1i4k s VAL 57 CO 0.04 0.30 2.23 1.23 -0.31 0.00 0.00 175.10 178.59 1i4k h GLY 58 N 6.99 0.00 -4.29 2.32 0.00 -1.92 -0.45 103.07 105.72 1i4k h GLY 58 Ca -0.34 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1i4k h GLY 58 CO 0.48 0.00 0.43 -1.35 0.00 0.00 0.00 176.54 176.09 1i4k s SER 59 N -5.51 -0.47 -0.18 0.19 1.04 -1.26 0.72 113.70 108.24 1i4k s SER 59 Ca -0.03 0.51 -0.22 0.00 0.48 0.00 0.00 55.95 56.69 1i4k s SER 59 Cb 0.12 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1i4k s SER 59 CO 0.48 -0.43 0.58 0.54 0.98 0.00 0.00 173.24 175.39 1i4k s VAL 60 N -1.15 0.00 -0.17 5.02 0.11 -0.09 -4.97 120.40 119.15 1i4k s VAL 60 Ca -0.05 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1i4k s VAL 60 Cb -0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1i4k s VAL 60 CO 0.04 -0.02 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.09 1i4k s VAL 61 N -0.04 4.05 -0.08 2.04 1.01 -1.26 -0.78 120.40 125.35 1i4k s VAL 61 Ca -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1i4k s VAL 61 Cb -0.04 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1i4k s VAL 61 CO 0.02 0.47 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 1i4k s ILE 62 N 0.57 2.83 -0.01 2.22 1.01 0.61 -4.95 121.20 123.48 1i4k s ILE 62 Ca -0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 1i4k s ILE 62 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1i4k s ILE 62 CO 0.02 0.56 1.20 -0.13 0.00 0.00 0.00 174.94 176.60 1i4k s ARG 63 N -0.18 4.38 0.26 2.79 1.81 -1.26 -0.63 118.95 126.12 1i4k s ARG 63 Ca -0.01 1.71 -0.02 0.00 -1.72 0.00 0.00 55.73 55.70 1i4k s ARG 63 Cb -0.13 -3.49 0.51 0.00 -0.45 0.00 0.00 34.95 31.39 1i4k s ARG 63 CO 0.03 -0.38 1.75 0.78 -0.68 0.00 0.00 175.30 176.80 1i4k h GLY 64 N 7.70 1.30 -0.38 -3.53 0.00 -1.72 -0.41 103.07 106.03 1i4k h GLY 64 Ca -0.37 -0.21 0.32 0.00 0.00 0.00 0.00 47.33 47.07 1i4k h GLY 64 CO 0.85 -0.07 0.79 -1.80 0.00 0.00 0.00 176.54 176.31 1i4k h ASP 65 N 0.55 0.22 1.35 0.19 1.82 -1.89 -0.38 116.42 118.28 1i4k h ASP 65 Ca 0.45 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.13 1i4k h ASP 65 Cb 0.66 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1i4k h ASP 65 CO -0.38 0.02 -0.66 0.74 -1.61 0.00 0.00 179.24 177.35 1i4k h THR 66 N 0.18 0.05 -3.32 2.25 2.02 -1.47 -3.48 112.91 109.15 1i4k h THR 66 Ca 0.61 -1.09 -0.53 0.00 0.77 0.00 0.00 66.41 66.17 1i4k h THR 66 Cb 2.00 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 70.15 1i4k h THR 66 CO -0.17 0.03 0.57 -0.69 0.37 0.00 0.00 175.52 175.63 1i4k s VAL 67 N -3.28 3.72 -0.21 3.16 1.01 -0.15 -0.87 120.40 123.78 1i4k s VAL 67 Ca 0.02 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.20 1i4k s VAL 67 Cb 0.08 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 1i4k s VAL 67 CO 0.75 0.16 0.07 0.52 0.00 0.00 0.00 175.10 176.60 1i4k n VAL 68 N 3.18 1.58 -3.51 2.92 0.31 0.41 -4.87 118.33 118.36 1i4k n VAL 68 Ca 0.07 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.97 1i4k n VAL 68 Cb 0.45 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.47 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 -2.46 -0.48 -0.06 3.52 -0.12 -1.21 -5.02 117.98 112.14 1i4k s PHE 69 Ca -0.30 0.62 0.04 0.00 -0.05 0.00 0.00 56.93 57.23 1i4k s PHE 69 Cb 0.08 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1i4k s PHE 69 CO 0.61 -0.57 -0.18 0.08 -0.05 0.00 0.00 175.22 175.10 1i4k s VAL 70 N -2.16 1.55 -0.05 -2.49 1.01 -1.26 -2.14 120.40 114.86 1i4k s VAL 70 Ca -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1i4k s VAL 70 Cb -0.01 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1i4k s VAL 70 CO -0.01 0.44 0.14 -0.55 0.00 0.00 0.00 175.10 175.12 1i4k s SER 71 N 0.22 -0.14 0.42 3.32 0.15 0.58 -4.92 113.70 113.34 1i4k s SER 71 Ca -0.09 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 1i4k s SER 71 Cb -0.14 0.26 -0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1i4k s SER 71 CO 0.04 -0.07 1.36 -2.84 1.20 0.00 0.00 173.24 172.94 1i4k s PRO 72 N 0.27 3.90 0.32 5.44 0.02 -1.26 0.18 135.00 143.87 1i4k s PRO 72 Ca -0.02 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.39 1i4k s PRO 72 Cb -0.03 -2.75 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 1i4k s PRO 72 CO -0.01 -0.60 -0.13 0.00 -0.33 0.00 0.00 177.00 175.94 1i4k s ALA 73 N -1.22 2.84 -1.89 -1.55 0.00 -1.24 -4.76 121.76 113.93 1i4k s ALA 73 Ca 0.58 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1i4k s ALA 73 Cb -0.41 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1i4k s ALA 73 CO 0.53 0.13 0.47 -2.30 0.00 0.00 0.00 175.76 174.59