#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 3.68 0.18 -0.52 3.00 -1.26 -5.02 118.95 119.01 1i4k s ARG 4 Ca 0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 55.73 54.51 1i4k s ARG 4 Cb 0.00 -3.25 0.14 0.00 0.00 0.00 0.00 34.95 31.85 1i4k s ARG 4 CO 0.00 0.65 1.64 -1.35 0.00 0.00 0.00 175.30 176.24 1i4k h PRO 5 N 5.33 -0.04 -0.73 5.12 0.11 -2.06 -2.22 132.00 137.50 1i4k h PRO 5 Ca -0.51 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1i4k h PRO 5 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1i4k h PRO 5 CO 0.63 -0.03 0.48 -0.07 -0.21 0.00 0.00 178.00 178.79 1i4k h LEU 6 N -0.05 0.62 -0.81 2.35 3.38 -1.99 -2.11 115.31 116.70 1i4k h LEU 6 Ca 0.23 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1i4k h LEU 6 Cb 0.40 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1i4k h LEU 6 CO -0.52 0.39 0.49 0.44 0.09 0.00 0.00 178.44 179.32 1i4k h ASP 7 N 0.70 0.74 0.84 -0.43 3.32 -1.82 0.18 116.42 119.94 1i4k h ASP 7 Ca 0.32 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1i4k h ASP 7 Cb 0.36 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1i4k h ASP 7 CO -0.11 0.46 0.00 0.58 -1.72 0.00 0.00 179.24 178.45 1i4k h VAL 8 N 0.87 0.00 0.06 -1.35 2.07 -1.42 -1.60 116.25 114.89 1i4k h VAL 8 Ca 0.37 -0.34 -0.27 0.00 0.82 0.00 0.00 66.70 67.27 1i4k h VAL 8 Cb 0.22 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1i4k h VAL 8 CO -0.19 0.00 -1.37 0.25 0.02 0.00 0.00 177.57 176.27 1i4k h LEU 9 N 0.00 0.20 -0.76 2.57 5.85 -0.59 -3.27 115.31 119.32 1i4k h LEU 9 Ca 0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1i4k h LEU 9 Cb 0.42 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1i4k h LEU 9 CO 0.00 1.22 0.26 -1.13 -0.34 0.00 0.00 178.44 178.45 1i4k h ASN 10 N 0.04 1.08 -0.26 1.25 -1.24 -0.07 -2.04 115.58 114.34 1i4k h ASN 10 Ca -0.17 -0.20 0.08 0.00 0.71 0.00 0.00 56.30 56.72 1i4k h ASN 10 Cb 1.94 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.69 1i4k h ASN 10 CO 0.14 0.99 0.46 0.03 -1.29 0.00 0.00 177.43 177.76 1i4k h ARG 11 N 1.11 0.00 -0.02 6.67 -0.00 -1.50 -1.42 114.38 119.22 1i4k h ARG 11 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 1i4k h ARG 11 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.25 1i4k h ARG 11 CO -0.01 0.00 -0.05 0.43 0.00 0.00 0.00 179.97 180.34 1i4k n SER 12 N -3.32 2.15 -4.65 7.04 7.64 -0.77 -4.95 113.62 116.77 1i4k n SER 12 Ca 0.04 -1.68 -0.52 0.00 1.01 0.00 0.00 58.87 57.72 1i4k n SER 12 Cb 0.58 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.62 2.34 0.00 -3.43 4.77 -0.54 -0.62 117.00 120.14 1i4k n LEU 13 Ca 0.16 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1i4k n LEU 13 Cb 0.47 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1i4k n LEU 13 CO 0.17 -0.62 0.00 0.29 -1.33 0.00 0.00 177.39 175.90 1i4k n LYS 14 N 3.94 -0.12 -4.58 3.23 5.02 0.21 -5.00 118.16 120.86 1i4k n LYS 14 Ca 0.21 0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 1i4k n LYS 14 Cb 0.21 -3.00 -0.12 0.00 -0.02 0.00 0.00 35.03 32.10 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 -2.37 3.86 0.43 4.39 0.01 0.21 -4.84 113.70 115.40 1i4k s SER 15 Ca 0.00 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 1i4k s SER 15 Cb 0.00 -0.62 -0.08 0.00 0.21 0.00 0.00 66.02 65.53 1i4k s SER 15 CO 0.00 0.24 1.29 -2.16 0.41 0.00 0.00 173.24 173.02 1i4k s PRO 16 N -1.58 3.82 0.33 12.44 0.04 -1.26 -2.31 135.00 146.47 1i4k s PRO 16 Ca 0.15 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.35 1i4k s PRO 16 Cb -0.11 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1i4k s PRO 16 CO 0.06 -0.60 0.18 0.14 0.04 0.00 0.00 177.00 176.83 1i4k s VAL 17 N -1.31 0.28 -0.09 -0.36 -7.23 0.37 -2.48 120.40 109.58 1i4k s VAL 17 Ca 0.60 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1i4k s VAL 17 Cb -0.37 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1i4k s VAL 17 CO 0.47 0.00 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.44 1i4k s ILE 18 N -3.51 1.63 -0.22 -0.62 1.01 0.50 -2.58 121.20 117.41 1i4k s ILE 18 Ca 0.35 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1i4k s ILE 18 Cb 0.04 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 41.11 1i4k s ILE 18 CO 0.19 0.47 -0.13 -0.69 0.00 0.00 0.00 174.94 174.78 1i4k s VAL 19 N 0.55 1.99 -0.18 2.92 1.01 0.41 -0.40 120.40 126.68 1i4k s VAL 19 Ca -0.16 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 1i4k s VAL 19 Cb -0.17 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1i4k s VAL 19 CO 0.06 0.17 0.57 -0.60 0.00 0.00 0.00 175.10 175.29 1i4k s ARG 20 N 1.24 4.23 0.34 2.72 6.06 -0.33 -0.98 118.95 132.22 1i4k s ARG 20 Ca -0.03 0.52 0.05 0.00 -2.50 0.00 0.00 55.73 53.77 1i4k s ARG 20 Cb -0.17 -3.55 -0.01 0.00 0.06 0.00 0.00 34.95 31.28 1i4k s ARG 20 CO -0.08 -0.14 0.49 -0.51 -2.50 0.00 0.00 175.30 172.55 1i4k s LEU 21 N 1.60 3.97 0.16 -0.88 1.43 0.62 -0.23 118.68 125.34 1i4k s LEU 21 Ca 0.27 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1i4k s LEU 21 Cb -0.16 -2.83 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1i4k s LEU 21 CO 0.10 -0.43 1.23 -0.54 0.23 0.00 0.00 176.35 176.95 1i4k s LYS 22 N -4.21 4.45 0.00 1.70 1.02 0.92 -2.66 119.74 120.96 1i4k s LYS 22 Ca 0.44 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1i4k s LYS 22 Cb -0.10 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1i4k s LYS 22 CO 0.32 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1i4k n GLY 23 N 2.54 2.03 0.00 -3.33 0.00 -1.26 -4.59 105.19 100.57 1i4k n GLY 23 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.29 1.48 3.81 -0.02 0.00 -1.09 -5.10 105.19 103.98 1i4k n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1i4k n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4k s ARG 25 N -0.48 2.43 0.12 1.61 0.52 -1.26 -4.81 118.95 117.09 1i4k s ARG 25 Ca 0.00 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.03 1i4k s ARG 25 Cb 0.00 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1i4k s ARG 25 CO 0.00 -1.41 -0.09 -1.21 0.02 0.00 0.00 175.30 172.61 1i4k s GLU 26 N -5.10 0.94 -0.04 3.54 2.02 -0.83 -0.28 118.70 118.94 1i4k s GLU 26 Ca 0.60 -1.35 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1i4k s GLU 26 Cb -0.14 -0.45 0.01 0.00 0.10 0.00 0.00 34.13 33.65 1i4k s GLU 26 CO 0.55 0.04 -0.09 -0.06 0.02 0.00 0.00 175.26 175.72 1i4k s PHE 27 N -3.26 1.06 -0.11 1.61 0.40 -0.15 0.20 117.98 117.73 1i4k s PHE 27 Ca 0.13 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1i4k s PHE 27 Cb 0.02 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.76 1i4k s PHE 27 CO -0.01 -0.18 -0.21 1.03 0.70 0.00 0.00 175.22 176.55 1i4k s ARG 28 N 0.53 2.79 -0.02 0.44 0.52 -0.48 -0.45 118.95 122.29 1i4k s ARG 28 Ca -0.09 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.22 1i4k s ARG 28 Cb -0.12 -2.20 0.04 0.00 0.52 0.00 0.00 34.95 33.19 1i4k s ARG 28 CO 0.01 0.07 0.55 0.41 0.02 0.00 0.00 175.30 176.36 1i4k n GLY 29 N 3.81 0.39 3.66 -3.53 0.00 -1.06 -0.96 105.19 107.50 1i4k n GLY 29 Ca -0.20 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.06 5.00 -0.47 2.61 2.01 -0.58 -0.48 115.64 121.66 1i4k s THR 30 Ca 0.13 1.24 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 1i4k s THR 30 Cb -0.00 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.55 1i4k s THR 30 CO -0.01 0.09 1.36 -0.22 -0.69 0.00 0.00 174.62 175.15 1i4k s LEU 31 N 1.99 3.54 -0.03 4.42 2.96 -0.98 -0.55 118.68 130.03 1i4k s LEU 31 Ca 0.30 0.59 0.20 0.00 -0.22 0.00 0.00 54.13 55.00 1i4k s LEU 31 Cb -0.16 -3.40 -0.32 0.00 0.50 0.00 0.00 46.19 42.82 1i4k s LEU 31 CO 0.10 -1.48 0.44 -0.67 -1.32 0.00 0.00 176.35 173.43 1i4k n ASP 32 N 8.85 0.35 -3.64 3.68 2.03 0.17 0.68 116.55 128.67 1i4k n ASP 32 Ca 0.14 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.45 1i4k n ASP 32 Cb 0.49 1.92 -0.00 0.00 -0.72 0.00 0.00 41.12 42.81 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 -4.35 -0.23 -0.06 0.27 0.00 -1.18 -4.82 107.32 96.96 1i4k s GLY 33 Ca -0.07 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.59 1i4k s GLY 33 CO 0.85 1.24 1.21 -2.52 0.00 0.00 0.00 173.10 173.88 1i4k s TYR 34 N -2.57 -0.10 0.01 1.90 -0.85 -1.26 -1.49 117.35 113.00 1i4k s TYR 34 Ca 0.17 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 1i4k s TYR 34 Cb 0.01 0.54 -0.00 0.00 0.38 0.00 0.00 41.96 42.89 1i4k s TYR 34 CO -0.00 -0.32 0.01 -0.40 -1.52 0.00 0.00 175.55 173.32 1i4k n ASP 35 N -0.34 0.46 0.08 -0.18 5.68 -1.03 -4.98 116.55 116.23 1i4k n ASP 35 Ca -0.05 -1.07 -0.01 0.00 -0.50 0.00 0.00 54.79 53.15 1i4k n ASP 35 Cb 0.61 0.05 0.27 0.00 -1.14 0.00 0.00 41.12 40.91 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 1.03 1.25 0.00 2.12 2.04 -2.04 -1.70 117.51 120.22 1i4k h ILE 36 Ca -0.01 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1i4k h ILE 36 Cb 0.04 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1i4k h ILE 36 CO 0.01 0.37 0.00 1.41 0.00 0.00 0.00 178.15 179.94 1i4k n HIS 37 N -4.14 0.00 -1.83 1.37 8.25 -1.26 -4.84 115.22 112.77 1i4k n HIS 37 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1i4k n HIS 37 Cb 0.38 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.58 -2.37 -0.41 1.56 -0.64 -4.10 117.12 109.24 1i4k n MET 38 Ca 0.07 0.50 -0.35 0.00 -0.27 0.00 0.00 57.70 57.65 1i4k n MET 38 Cb 0.16 -4.39 -0.02 0.00 2.15 0.00 0.00 33.22 31.12 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 -2.75 6.12 0.13 6.12 0.01 -1.26 -3.56 114.94 119.75 1i4k s ASN 39 Ca 0.00 2.13 0.07 0.00 -0.71 0.00 0.00 52.86 54.35 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 -0.94 -0.17 -0.76 -1.51 0.00 0.00 177.10 173.72 1i4k s LEU 40 N -3.38 2.38 -0.17 0.60 1.43 0.01 -2.47 118.68 117.08 1i4k s LEU 40 Ca 0.67 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1i4k s LEU 40 Cb -0.23 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1i4k s LEU 40 CO 0.27 -0.05 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1i4k s VAL 41 N -1.76 1.91 -0.00 -1.59 1.01 -0.56 0.18 120.40 119.59 1i4k s VAL 41 Ca 0.09 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1i4k s VAL 41 Cb -0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1i4k s VAL 41 CO 0.04 0.52 -0.22 -0.76 0.00 0.00 0.00 175.10 174.68 1i4k s LEU 42 N 1.30 2.07 0.15 3.92 1.43 -0.07 -0.65 118.68 126.83 1i4k s LEU 42 Ca 0.04 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1i4k s LEU 42 Cb -0.13 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1i4k s LEU 42 CO -0.11 0.25 0.04 -0.76 0.23 0.00 0.00 176.35 175.99 1i4k s LEU 43 N -0.64 3.48 -0.70 1.79 1.43 0.29 -0.50 118.68 123.82 1i4k s LEU 43 Ca 0.08 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1i4k s LEU 43 Cb -0.08 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1i4k s LEU 43 CO -0.00 0.10 0.50 0.47 0.23 0.00 0.00 176.35 177.65 1i4k n ASP 44 N -0.04 -3.99 -4.56 2.29 8.00 -0.32 -1.53 116.55 116.41 1i4k n ASP 44 Ca -0.09 -0.83 -0.24 0.00 0.71 0.00 0.00 54.79 54.33 1i4k n ASP 44 Cb 0.54 -1.33 -0.09 0.00 -0.02 0.00 0.00 41.12 40.22 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 -2.85 2.98 -0.03 2.24 0.00 -0.80 -4.34 121.76 118.96 1i4k s ALA 45 Ca 0.01 -1.89 0.05 0.00 0.00 0.00 0.00 51.96 50.12 1i4k s ALA 45 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1i4k s ALA 45 CO 0.76 0.19 -0.17 -1.21 0.00 0.00 0.00 175.76 175.33 1i4k s GLU 46 N -3.61 1.53 -0.11 0.00 2.02 -0.13 -1.86 118.70 116.54 1i4k s GLU 46 Ca 0.32 -0.59 -0.14 0.00 0.02 0.00 0.00 54.97 54.58 1i4k s GLU 46 Cb -0.03 -1.41 -0.05 0.00 0.10 0.00 0.00 34.13 32.75 1i4k s GLU 46 CO 0.17 0.30 0.34 -2.00 0.02 0.00 0.00 175.26 174.09 1i4k s GLU 47 N -0.17 4.10 -0.05 1.61 2.12 0.61 -1.38 118.70 125.54 1i4k s GLU 47 Ca 0.01 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.62 1i4k s GLU 47 Cb -0.09 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1i4k s GLU 47 CO 0.01 0.40 -0.25 0.42 -0.54 0.00 0.00 175.26 175.30 1i4k s ILE 48 N -0.07 2.01 -0.17 -3.70 1.01 0.13 -0.92 121.20 119.49 1i4k s ILE 48 Ca 0.20 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1i4k s ILE 48 Cb -0.14 -1.69 0.05 0.00 0.01 0.00 0.00 42.46 40.69 1i4k s ILE 48 CO 0.07 0.56 0.03 -1.58 0.00 0.00 0.00 174.94 174.03 1i4k s GLN 49 N -0.23 0.64 -1.12 2.79 2.00 -0.48 -1.97 119.66 121.29 1i4k s GLN 49 Ca -0.01 -0.33 -0.22 0.00 -2.00 0.00 0.00 55.36 52.80 1i4k s GLN 49 Cb -0.13 -1.92 0.01 0.00 0.80 0.00 0.00 33.01 31.76 1i4k s GLN 49 CO 0.03 -0.59 0.75 0.09 -0.50 0.00 0.00 175.29 175.08 1i4k n ASN 50 N 5.07 -5.13 0.00 6.67 4.13 -1.26 -2.42 115.26 122.32 1i4k n ASN 50 Ca -0.09 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.13 1i4k n ASN 50 Cb 0.48 -2.92 0.00 0.00 -1.54 0.00 0.00 39.78 35.80 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 -1.78 0.78 3.23 7.41 0.00 -1.26 -5.01 105.19 108.55 1i4k n GLY 51 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1i4k n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4k s GLU 52 N -0.21 1.30 -0.39 1.61 0.41 -1.01 -5.10 118.70 115.31 1i4k s GLU 52 Ca 0.00 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.38 1i4k s GLU 52 Cb 0.00 -1.39 0.02 0.00 -1.78 0.00 0.00 34.13 30.99 1i4k s GLU 52 CO 0.00 0.35 1.09 0.08 -0.49 0.00 0.00 175.26 176.30 1i4k s VAL 53 N -0.79 4.38 -0.80 2.63 1.01 -1.26 -1.39 120.40 124.18 1i4k s VAL 53 Ca 0.06 1.47 0.22 0.00 0.00 0.00 0.00 61.98 63.73 1i4k s VAL 53 Cb -0.08 -4.49 -0.22 0.00 0.00 0.00 0.00 36.38 31.58 1i4k s VAL 53 CO 0.02 -0.72 0.87 1.33 0.00 0.00 0.00 175.10 176.60 1i4k n VAL 54 N 6.31 0.01 -3.58 2.92 0.24 -0.10 -4.98 118.33 119.15 1i4k n VAL 54 Ca 0.12 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 1i4k n VAL 54 Cb 0.48 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.11 0.78 -0.04 7.34 3.52 -1.19 -4.96 118.95 121.29 1i4k s ARG 55 Ca 0.05 0.41 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 1i4k s ARG 55 Cb 0.16 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.91 1i4k s ARG 55 CO 0.86 -0.20 -0.20 0.15 -0.81 0.00 0.00 175.30 175.11 1i4k s LYS 56 N -0.64 1.90 -0.03 5.12 1.02 -1.26 -0.28 119.74 125.56 1i4k s LYS 56 Ca -0.04 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1i4k s LYS 56 Cb -0.02 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1i4k s LYS 56 CO 0.03 0.33 0.08 0.14 -0.92 0.00 0.00 175.35 175.01 1i4k s VAL 57 N -0.16 -0.00 0.26 3.17 -7.23 -0.78 -5.03 120.40 110.63 1i4k s VAL 57 Ca -0.00 0.01 0.34 0.00 -1.81 0.00 0.00 61.98 60.53 1i4k s VAL 57 Cb -0.11 -0.13 0.38 0.00 0.56 0.00 0.00 36.38 37.09 1i4k s VAL 57 CO 0.02 0.01 2.06 1.23 -0.31 0.00 0.00 175.10 178.10 1i4k h GLY 58 N 6.11 0.00 -4.65 2.32 0.00 -1.94 -2.13 103.07 102.78 1i4k h GLY 58 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.20 1i4k h GLY 58 CO 0.46 0.00 0.67 -1.35 0.00 0.00 0.00 176.54 176.32 1i4k s SER 59 N -5.68 -0.26 -0.12 0.19 1.04 -1.26 -1.17 113.70 106.44 1i4k s SER 59 Ca -0.01 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.57 1i4k s SER 59 Cb 0.10 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1i4k s SER 59 CO 0.53 -0.24 0.42 0.54 0.98 0.00 0.00 173.24 175.47 1i4k s VAL 60 N -1.02 0.01 -0.28 5.02 0.11 0.35 -4.98 120.40 119.61 1i4k s VAL 60 Ca 0.02 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1i4k s VAL 60 Cb -0.01 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1i4k s VAL 60 CO -0.02 -0.06 0.07 -0.69 -3.33 0.00 0.00 175.10 171.07 1i4k s VAL 61 N -0.21 3.92 -0.17 2.04 1.01 -1.26 -0.89 120.40 124.85 1i4k s VAL 61 Ca -0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1i4k s VAL 61 Cb -0.03 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1i4k s VAL 61 CO 0.02 0.13 0.11 -0.63 0.00 0.00 0.00 175.10 174.73 1i4k s ILE 62 N 1.50 5.21 0.06 2.22 1.01 0.13 -4.92 121.20 126.42 1i4k s ILE 62 Ca 0.03 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1i4k s ILE 62 Cb -0.17 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1i4k s ILE 62 CO 0.02 0.50 1.40 -0.13 0.00 0.00 0.00 174.94 176.74 1i4k s ARG 63 N -0.08 4.30 0.28 2.79 1.81 -1.26 -0.81 118.95 125.98 1i4k s ARG 63 Ca 0.09 2.03 0.02 0.00 -1.72 0.00 0.00 55.73 56.15 1i4k s ARG 63 Cb -0.12 -3.41 0.62 0.00 -0.45 0.00 0.00 34.95 31.60 1i4k s ARG 63 CO 0.00 -0.50 1.77 0.78 -0.68 0.00 0.00 175.30 176.67 1i4k h GLY 64 N 7.54 1.57 -0.23 -3.53 0.00 -1.71 -1.88 103.07 104.84 1i4k h GLY 64 Ca -0.40 -0.30 0.24 0.00 0.00 0.00 0.00 47.33 46.86 1i4k h GLY 64 CO 0.88 -0.04 0.49 -1.80 0.00 0.00 0.00 176.54 176.07 1i4k h ASP 65 N 0.70 0.48 0.19 0.19 1.82 -1.87 -0.05 116.42 117.88 1i4k h ASP 65 Ca 0.51 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1i4k h ASP 65 Cb 0.75 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1i4k h ASP 65 CO -0.37 0.02 -0.03 0.35 -1.61 0.00 0.00 179.24 177.60 1i4k n THR 66 N -4.99 0.00 -3.17 2.25 -2.24 -0.70 -4.87 114.28 100.55 1i4k n THR 66 Ca 0.25 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.60 1i4k n THR 66 Cb 0.73 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.22 4.65 -0.27 2.28 1.01 -0.03 -0.06 120.40 125.75 1i4k s VAL 67 Ca 0.39 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 1i4k s VAL 67 Cb 0.21 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1i4k s VAL 67 CO 0.41 0.53 -0.34 0.52 0.00 0.00 0.00 175.10 176.21 1i4k n VAL 68 N 1.83 1.50 -3.55 2.92 0.31 0.68 -4.85 118.33 117.17 1i4k n VAL 68 Ca -0.08 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 1i4k n VAL 68 Cb 0.50 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.39 -0.05 3.52 -0.12 -1.19 -5.01 117.98 112.22 1i4k s PHE 69 Ca -0.38 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 1i4k s PHE 69 Cb 0.14 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 43.07 1i4k s PHE 69 CO 0.50 -0.89 -0.06 0.08 -0.05 0.00 0.00 175.22 174.79 1i4k s VAL 70 N -3.80 0.71 0.04 -2.49 1.01 -1.26 -1.19 120.40 113.43 1i4k s VAL 70 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1i4k s VAL 70 Cb -0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1i4k s VAL 70 CO -0.09 0.27 -0.01 -0.94 0.00 0.00 0.00 175.10 174.32 1i4k s SER 71 N 0.92 0.38 1.05 3.32 1.04 0.46 -4.93 113.70 115.94 1i4k s SER 71 Ca -0.11 -0.79 -0.13 0.00 0.48 0.00 0.00 55.95 55.40 1i4k s SER 71 Cb -0.15 0.17 0.22 0.00 0.10 0.00 0.00 66.02 66.37 1i4k s SER 71 CO 0.01 -0.50 1.08 -2.84 0.98 0.00 0.00 173.24 171.97 1i4k s PRO 72 N -3.02 -0.02 0.35 4.02 0.02 -1.26 0.19 135.00 135.28 1i4k s PRO 72 Ca -0.01 0.50 -0.27 0.00 0.02 0.00 0.00 61.00 61.24 1i4k s PRO 72 Cb 0.01 -1.69 -0.12 0.00 0.02 0.00 0.00 34.50 32.73 1i4k s PRO 72 CO -0.07 -3.03 1.16 0.00 -0.33 0.00 0.00 177.00 174.73 1i4k n ALA 73 N -4.38 0.69 0.00 -1.55 0.00 -1.03 -4.45 120.51 109.78 1i4k n ALA 73 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1i4k n ALA 73 Cb 0.57 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1i4k n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20