#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 1.26 0.16 -0.52 1.70 -1.26 -5.07 118.95 115.22 1i4k s ARG 4 Ca 0.00 -1.27 -0.27 0.00 -0.47 0.00 0.00 55.73 53.73 1i4k s ARG 4 Cb 0.00 -1.60 0.01 0.00 -0.57 0.00 0.00 34.95 32.79 1i4k s ARG 4 CO 0.00 0.37 1.56 -1.35 -1.08 0.00 0.00 175.30 174.80 1i4k h PRO 5 N 3.91 -0.23 -0.91 3.89 0.11 -2.06 -1.87 132.00 134.84 1i4k h PRO 5 Ca -0.48 0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.83 1i4k h PRO 5 Cb 1.18 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1i4k h PRO 5 CO 0.40 -0.15 0.59 -0.07 -0.21 0.00 0.00 178.00 178.56 1i4k h LEU 6 N -0.24 0.54 -0.27 2.35 -0.00 -1.99 0.54 115.31 116.24 1i4k h LEU 6 Ca 0.17 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.07 1i4k h LEU 6 Cb 0.56 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1i4k h LEU 6 CO -0.69 0.23 0.06 0.44 -0.00 0.00 0.00 178.44 178.48 1i4k h ASP 7 N 0.55 0.41 -0.78 -0.43 3.32 -1.77 -2.09 116.42 115.63 1i4k h ASP 7 Ca 0.48 -0.23 0.15 0.00 0.02 0.00 0.00 57.03 57.45 1i4k h ASP 7 Cb 0.98 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 1i4k h ASP 7 CO -0.22 0.54 0.52 0.58 -1.72 0.00 0.00 179.24 178.94 1i4k h VAL 8 N 0.26 0.79 -0.36 -1.35 2.07 -0.63 0.95 116.25 117.99 1i4k h VAL 8 Ca 0.08 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1i4k h VAL 8 Cb 0.29 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1i4k h VAL 8 CO 0.00 0.08 -0.40 -0.07 0.02 0.00 0.00 177.57 177.20 1i4k h LEU 9 N 0.43 0.95 -0.67 2.57 3.38 -0.88 -3.22 115.31 117.88 1i4k h LEU 9 Ca 0.38 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1i4k h LEU 9 Cb 0.87 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1i4k h LEU 9 CO -0.13 1.23 0.35 -1.13 0.09 0.00 0.00 178.44 178.85 1i4k h ASN 10 N 0.72 0.50 -0.99 -0.43 -0.73 -0.16 -2.11 115.58 112.38 1i4k h ASN 10 Ca 0.06 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.32 1i4k h ASN 10 Cb 0.99 -0.05 -0.06 0.00 0.27 0.00 0.00 38.32 39.46 1i4k h ASN 10 CO 0.10 0.32 0.64 0.03 -0.37 0.00 0.00 177.43 178.14 1i4k h ARG 11 N 0.64 1.16 -0.02 6.67 3.08 -1.46 -1.74 114.38 122.70 1i4k h ARG 11 Ca 0.31 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1i4k h ARG 11 Cb 0.24 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1i4k h ARG 11 CO -0.21 0.76 0.00 0.43 -1.07 0.00 0.00 179.97 179.89 1i4k n SER 12 N -4.47 0.16 -4.73 7.04 7.64 -0.81 -4.83 113.62 113.62 1i4k n SER 12 Ca 0.14 -1.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.08 1i4k n SER 12 Cb 0.15 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.50 4.37 -0.73 -3.43 1.43 -0.66 -1.94 118.68 116.23 1i4k s LEU 13 Ca 0.25 2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1i4k s LEU 13 Cb 0.11 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1i4k s LEU 13 CO 0.19 -0.77 0.45 0.29 0.23 0.00 0.00 176.35 176.74 1i4k n LYS 14 N 3.51 -3.22 -3.81 1.70 5.02 0.42 -5.00 118.16 116.78 1i4k n LYS 14 Ca 0.12 0.44 -0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1i4k n LYS 14 Cb 0.39 -4.29 -0.12 0.00 -0.02 0.00 0.00 35.03 30.99 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 -3.00 -0.18 0.20 4.39 0.01 -0.82 -4.97 113.70 109.33 1i4k s SER 15 Ca 0.22 0.35 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 1i4k s SER 15 Cb -0.10 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.38 1i4k s SER 15 CO 0.28 -0.07 1.47 -2.16 0.41 0.00 0.00 173.24 173.17 1i4k s PRO 16 N 0.16 4.26 0.21 12.44 0.04 -1.26 -2.31 135.00 148.53 1i4k s PRO 16 Ca -0.01 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.38 1i4k s PRO 16 Cb -0.02 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1i4k s PRO 16 CO -0.00 -0.48 -0.08 0.14 0.04 0.00 0.00 177.00 176.62 1i4k s VAL 17 N 0.51 1.39 -0.18 -0.36 -7.23 0.85 -0.56 120.40 114.83 1i4k s VAL 17 Ca 0.63 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1i4k s VAL 17 Cb -0.42 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1i4k s VAL 17 CO 0.38 -0.51 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.99 1i4k s ILE 18 N -3.19 3.66 -0.19 -0.62 1.01 0.29 -2.59 121.20 119.57 1i4k s ILE 18 Ca 0.24 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1i4k s ILE 18 Cb 0.03 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.89 1i4k s ILE 18 CO 0.07 0.46 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1i4k s VAL 19 N 0.83 2.12 -0.22 2.92 1.01 0.47 -1.19 120.40 126.34 1i4k s VAL 19 Ca -0.01 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 1i4k s VAL 19 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1i4k s VAL 19 CO 0.02 0.45 0.12 -0.60 0.00 0.00 0.00 175.10 175.08 1i4k s ARG 20 N 1.27 4.00 0.46 2.72 3.52 -0.49 -0.41 118.95 130.02 1i4k s ARG 20 Ca 0.03 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 1i4k s ARG 20 Cb -0.14 -3.43 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1i4k s ARG 20 CO -0.11 0.10 0.53 1.28 -0.81 0.00 0.00 175.30 176.29 1i4k n LEU 21 N 4.13 0.00 -4.83 -0.88 4.77 -0.58 -0.32 117.00 119.30 1i4k n LEU 21 Ca -0.16 -2.14 -0.32 0.00 -0.03 0.00 0.00 56.01 53.36 1i4k n LEU 21 Cb 0.52 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1i4k n LEU 21 CO 0.35 -0.62 0.69 -0.54 -1.33 0.00 0.00 177.39 175.94 1i4k s LYS 22 N -4.02 3.84 0.00 3.23 1.02 -0.26 -3.64 119.74 119.91 1i4k s LYS 22 Ca 0.40 1.05 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1i4k s LYS 22 Cb -0.03 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1i4k s LYS 22 CO 0.26 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1i4k n GLY 23 N -1.26 0.74 3.02 -3.33 0.00 -1.26 -3.98 105.19 99.12 1i4k n GLY 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.38 2.94 3.44 -0.02 0.00 -1.24 -5.01 105.19 102.92 1i4k n GLY 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.27 0.23 -3.79 1.61 0.63 -1.26 -4.76 116.66 108.05 1i4k n ARG 25 Ca 0.00 0.12 -0.10 0.00 -0.92 0.00 0.00 57.85 56.95 1i4k n ARG 25 Cb 0.00 -1.79 -0.07 0.00 0.45 0.00 0.00 32.46 31.06 1i4k n ARG 25 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1i4k s GLU 26 N -2.77 0.88 0.01 -0.14 2.02 -0.55 -1.52 118.70 116.62 1i4k s GLU 26 Ca 0.64 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1i4k s GLU 26 Cb -0.34 0.37 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 1i4k s GLU 26 CO 0.60 -0.29 -0.10 -0.06 0.02 0.00 0.00 175.26 175.43 1i4k s PHE 27 N -3.58 0.87 -0.15 1.61 0.40 0.46 -0.02 117.98 117.58 1i4k s PHE 27 Ca 0.02 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1i4k s PHE 27 Cb 0.03 -0.55 0.05 0.00 0.51 0.00 0.00 43.02 43.06 1i4k s PHE 27 CO -0.10 -0.01 0.01 1.03 0.70 0.00 0.00 175.22 176.85 1i4k s ARG 28 N -0.49 0.76 0.00 0.44 0.52 -0.71 -0.39 118.95 119.07 1i4k s ARG 28 Ca 0.02 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1i4k s ARG 28 Cb -0.05 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1i4k s ARG 28 CO -0.00 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.23 1i4k n GLY 29 N 5.06 1.50 3.66 -3.53 0.00 -1.07 -0.88 105.19 109.92 1i4k n GLY 29 Ca -0.09 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.64 5.24 -0.07 2.61 2.01 0.05 -0.10 115.64 122.74 1i4k s THR 30 Ca 0.00 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 1i4k s THR 30 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1i4k s THR 30 CO 0.00 0.27 1.68 -0.22 -0.69 0.00 0.00 174.62 175.66 1i4k s LEU 31 N 1.31 4.26 -0.02 4.42 2.96 -0.98 -0.54 118.68 130.09 1i4k s LEU 31 Ca 0.15 2.19 0.10 0.00 -0.22 0.00 0.00 54.13 56.35 1i4k s LEU 31 Cb -0.14 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 1i4k s LEU 31 CO 0.07 -0.99 0.20 -0.67 -1.32 0.00 0.00 176.35 173.64 1i4k n ASP 32 N 7.40 2.78 -3.65 3.68 2.03 0.13 -0.44 116.55 128.47 1i4k n ASP 32 Ca 0.18 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.44 1i4k n ASP 32 Cb 0.43 1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 42.22 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 -3.18 -0.33 -0.11 0.27 0.00 -0.98 -4.92 107.32 98.07 1i4k s GLY 33 Ca -0.04 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 1i4k s GLY 33 CO 0.40 0.14 1.00 -2.52 0.00 0.00 0.00 173.10 172.13 1i4k s TYR 34 N -3.15 -0.31 0.34 1.90 -0.85 -1.26 -0.75 117.35 113.27 1i4k s TYR 34 Ca 0.10 0.37 0.03 0.00 -0.52 0.00 0.00 57.07 57.05 1i4k s TYR 34 Cb -0.01 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1i4k s TYR 34 CO -0.02 -0.38 0.11 0.16 -1.52 0.00 0.00 175.55 173.89 1i4k s ASP 35 N -1.76 2.16 0.53 -0.18 1.47 -1.04 -4.97 116.67 112.87 1i4k s ASP 35 Ca 0.03 -1.52 0.24 0.00 1.18 0.00 0.00 52.55 52.48 1i4k s ASP 35 Cb -0.01 0.25 1.39 0.00 -0.34 0.00 0.00 42.92 44.21 1i4k s ASP 35 CO -0.04 -0.79 2.02 0.16 0.68 0.00 0.00 175.17 177.20 1i4k h ILE 36 N 2.07 0.76 0.00 2.11 3.07 -2.02 0.23 117.51 123.72 1i4k h ILE 36 Ca -0.37 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1i4k h ILE 36 Cb 1.26 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1i4k h ILE 36 CO 0.60 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.11 1i4k n HIS 37 N -4.36 0.00 -1.71 0.16 8.25 -1.26 -4.84 115.22 111.45 1i4k n HIS 37 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1i4k n HIS 37 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.96 -0.90 -2.30 -0.41 1.56 0.81 -4.24 117.12 110.68 1i4k n MET 38 Ca 0.16 0.80 -0.40 0.00 -0.27 0.00 0.00 57.70 57.98 1i4k n MET 38 Cb 0.07 -4.88 -0.03 0.00 2.15 0.00 0.00 33.22 30.53 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 -2.70 7.00 0.23 6.12 0.01 -1.25 -3.91 114.94 120.44 1i4k s ASN 39 Ca 0.00 2.47 0.11 0.00 -0.71 0.00 0.00 52.86 54.73 1i4k s ASN 39 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1i4k s ASN 39 CO 0.00 -0.35 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.28 1i4k s LEU 40 N -1.66 2.52 -0.12 0.60 1.43 -0.31 -2.50 118.68 118.65 1i4k s LEU 40 Ca 0.47 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1i4k s LEU 40 Cb -0.36 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1i4k s LEU 40 CO 0.46 0.03 -0.11 -0.69 0.23 0.00 0.00 176.35 176.28 1i4k s VAL 41 N -2.25 1.23 0.03 -1.59 1.01 0.07 -0.59 120.40 118.32 1i4k s VAL 41 Ca 0.25 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1i4k s VAL 41 Cb -0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1i4k s VAL 41 CO 0.11 0.40 -0.26 -0.76 0.00 0.00 0.00 175.10 174.59 1i4k s LEU 42 N 1.46 2.16 0.13 3.92 1.43 -0.36 0.19 118.68 127.62 1i4k s LEU 42 Ca 0.02 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1i4k s LEU 42 Cb -0.13 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1i4k s LEU 42 CO -0.07 0.28 -0.15 -0.76 0.23 0.00 0.00 176.35 175.88 1i4k s LEU 43 N -1.07 2.83 -1.21 1.79 1.43 0.30 -0.65 118.68 122.09 1i4k s LEU 43 Ca 0.11 -0.53 -0.36 0.00 -1.03 0.00 0.00 54.13 52.32 1i4k s LEU 43 Cb -0.10 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.55 1i4k s LEU 43 CO 0.01 0.16 0.68 0.47 0.23 0.00 0.00 176.35 177.90 1i4k n ASP 44 N 0.60 -4.08 -4.68 2.29 9.92 0.75 -0.77 116.55 120.58 1i4k n ASP 44 Ca -0.14 -1.31 -0.23 0.00 -0.53 0.00 0.00 54.79 52.57 1i4k n ASP 44 Cb 0.53 -1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 39.37 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 -3.53 3.32 -0.02 2.24 0.00 -1.00 -4.36 121.76 118.40 1i4k s ALA 45 Ca 0.49 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1i4k s ALA 45 Cb -0.28 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1i4k s ALA 45 CO 0.98 0.13 -0.18 -1.21 0.00 0.00 0.00 175.76 175.47 1i4k s GLU 46 N -3.76 1.63 -0.14 0.00 2.02 -0.06 -2.27 118.70 116.13 1i4k s GLU 46 Ca 0.35 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 1i4k s GLU 46 Cb -0.03 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 1i4k s GLU 46 CO 0.21 0.35 0.38 -2.00 0.02 0.00 0.00 175.26 174.23 1i4k s GLU 47 N -0.28 4.29 0.12 1.61 2.12 -1.16 -1.74 118.70 123.66 1i4k s GLU 47 Ca 0.03 0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.72 1i4k s GLU 47 Cb -0.09 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1i4k s GLU 47 CO 0.00 0.20 -0.18 0.42 -0.54 0.00 0.00 175.26 175.17 1i4k s ILE 48 N 0.53 2.85 -0.30 -3.70 1.09 0.98 -0.41 121.20 122.24 1i4k s ILE 48 Ca 0.21 -1.51 -0.03 0.00 -1.10 0.00 0.00 60.65 58.22 1i4k s ILE 48 Cb -0.14 -2.31 0.19 0.00 -1.06 0.00 0.00 42.46 39.14 1i4k s ILE 48 CO 0.07 0.10 0.80 -1.58 -0.10 0.00 0.00 174.94 174.23 1i4k s GLN 49 N -2.16 0.37 -0.13 2.79 0.74 -1.16 -1.48 119.66 118.65 1i4k s GLN 49 Ca 0.18 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 56.03 1i4k s GLN 49 Cb -0.11 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1i4k s GLN 49 CO 0.10 -0.62 0.11 0.09 -0.55 0.00 0.00 175.29 174.42 1i4k n ASN 50 N 5.32 -2.16 0.00 6.67 4.13 -1.26 -4.10 115.26 123.86 1i4k n ASN 50 Ca 0.04 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1i4k n ASN 50 Cb 0.55 -0.96 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 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 -0.88 0.61 2.84 7.41 0.00 -1.26 -5.02 105.19 108.89 1i4k n GLY 51 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.31 0.00 -0.27 1.61 -1.05 -1.26 -5.10 118.70 112.32 1i4k s GLU 52 Ca 0.00 0.06 -0.28 0.00 -0.15 0.00 0.00 54.97 54.59 1i4k s GLU 52 Cb 0.00 -0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.56 1i4k s GLU 52 CO 0.00 -0.05 1.90 0.08 0.95 0.00 0.00 175.26 178.13 1i4k s VAL 53 N 0.36 3.36 -2.57 1.83 1.01 -1.26 -2.96 120.40 120.17 1i4k s VAL 53 Ca -0.03 0.37 0.27 0.00 0.00 0.00 0.00 61.98 62.59 1i4k s VAL 53 Cb -0.04 -3.45 0.42 0.00 0.00 0.00 0.00 36.38 33.30 1i4k s VAL 53 CO -0.01 -0.27 1.58 1.33 0.00 0.00 0.00 175.10 177.74 1i4k n VAL 54 N 7.32 0.00 -3.61 2.92 0.24 0.45 -4.97 118.33 120.67 1i4k n VAL 54 Ca 0.24 -0.31 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 1i4k n VAL 54 Cb 0.46 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 1i4k n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1i4k s ARG 55 N -2.05 0.72 -0.04 7.34 1.81 -1.25 -5.00 118.95 120.49 1i4k s ARG 55 Ca 0.34 -0.34 -0.00 0.00 -1.72 0.00 0.00 55.73 54.01 1i4k s ARG 55 Cb 0.21 0.28 0.03 0.00 -0.45 0.00 0.00 34.95 35.02 1i4k s ARG 55 CO 0.35 -0.32 0.02 0.15 -0.68 0.00 0.00 175.30 174.81 1i4k s LYS 56 N -2.87 0.22 0.00 3.54 1.02 -1.26 -2.99 119.74 117.39 1i4k s LYS 56 Ca 0.10 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.27 1i4k s LYS 56 Cb 0.00 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1i4k s LYS 56 CO -0.04 -0.20 -0.11 0.14 -0.92 0.00 0.00 175.35 174.23 1i4k s VAL 57 N 1.36 0.84 0.33 3.17 -7.23 -0.96 -5.02 120.40 112.89 1i4k s VAL 57 Ca -0.05 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1i4k s VAL 57 Cb -0.13 -0.72 0.17 0.00 0.56 0.00 0.00 36.38 36.26 1i4k s VAL 57 CO -0.03 0.17 1.88 1.23 -0.31 0.00 0.00 175.10 178.05 1i4k h GLY 58 N 5.69 0.62 -3.71 2.32 0.00 -1.94 -2.64 103.07 103.41 1i4k h GLY 58 Ca -0.33 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1i4k h GLY 58 CO 0.48 0.33 0.31 -1.35 0.00 0.00 0.00 176.54 176.31 1i4k s SER 59 N -6.71 -0.53 0.02 0.19 1.04 -1.26 -0.17 113.70 106.27 1i4k s SER 59 Ca -0.08 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1i4k s SER 59 Cb 0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1i4k s SER 59 CO 0.77 -0.66 -0.03 -0.69 0.98 0.00 0.00 173.24 173.61 1i4k s VAL 60 N -2.18 0.13 -0.26 5.02 1.01 0.18 -4.98 120.40 119.33 1i4k s VAL 60 Ca -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1i4k s VAL 60 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.16 1i4k s VAL 60 CO -0.01 -0.32 -0.02 -0.69 0.00 0.00 0.00 175.10 174.06 1i4k s VAL 61 N -0.99 3.25 -0.15 2.92 1.01 -1.26 -1.22 120.40 123.96 1i4k s VAL 61 Ca -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1i4k s VAL 61 Cb -0.07 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1i4k s VAL 61 CO -0.01 0.20 -0.00 -0.63 0.00 0.00 0.00 175.10 174.66 1i4k s ILE 62 N 1.40 4.21 0.03 2.22 1.01 0.25 -4.97 121.20 125.34 1i4k s ILE 62 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1i4k s ILE 62 Cb -0.16 -2.85 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 1i4k s ILE 62 CO -0.02 0.50 1.69 -0.13 0.00 0.00 0.00 174.94 176.98 1i4k s ARG 63 N 0.16 4.19 0.31 2.79 1.81 -1.26 -1.16 118.95 125.79 1i4k s ARG 63 Ca 0.01 2.32 0.08 0.00 -1.72 0.00 0.00 55.73 56.42 1i4k s ARG 63 Cb -0.13 -3.77 0.87 0.00 -0.45 0.00 0.00 34.95 31.47 1i4k s ARG 63 CO 0.02 -0.79 1.71 0.78 -0.68 0.00 0.00 175.30 176.34 1i4k h GLY 64 N 9.25 1.82 1.99 -3.53 0.00 -1.74 -1.15 103.07 109.71 1i4k h GLY 64 Ca -0.42 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1i4k h GLY 64 CO 0.94 -0.29 0.01 -1.80 0.00 0.00 0.00 176.54 175.39 1i4k h ASP 65 N 0.48 0.00 0.62 0.19 1.82 -1.88 -2.13 116.42 115.52 1i4k h ASP 65 Ca 0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1i4k h ASP 65 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1i4k h ASP 65 CO -0.52 0.00 -0.40 0.35 -1.61 0.00 0.00 179.24 177.07 1i4k n THR 66 N -3.98 0.01 -2.48 2.25 -2.24 -0.44 -4.91 114.28 102.50 1i4k n THR 66 Ca -0.03 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1i4k n THR 66 Cb 0.09 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.00 4.26 -0.22 2.28 1.01 -0.80 -1.10 120.40 122.83 1i4k s VAL 67 Ca 0.12 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 63.53 1i4k s VAL 67 Cb 0.18 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1i4k s VAL 67 CO 0.66 0.06 -0.12 0.52 0.00 0.00 0.00 175.10 176.22 1i4k n VAL 68 N 4.30 1.51 -3.51 2.92 0.31 0.56 -4.93 118.33 119.50 1i4k n VAL 68 Ca 0.10 -0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1i4k n VAL 68 Cb 0.47 -2.07 -0.03 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.47 -0.40 -0.02 3.52 -0.12 -1.14 -5.02 117.98 112.33 1i4k s PHE 69 Ca -0.31 0.15 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1i4k s PHE 69 Cb 0.09 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1i4k s PHE 69 CO 0.48 -0.80 -0.05 0.08 -0.05 0.00 0.00 175.22 174.89 1i4k s VAL 70 N -3.77 0.46 -0.07 -2.49 1.01 -1.26 -1.40 120.40 112.88 1i4k s VAL 70 Ca 0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1i4k s VAL 70 Cb 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1i4k s VAL 70 CO -0.12 0.16 0.34 -0.94 0.00 0.00 0.00 175.10 174.54 1i4k s SER 71 N 0.28 -0.29 0.54 3.32 1.04 -0.33 -4.97 113.70 113.29 1i4k s SER 71 Ca -0.03 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 56.58 1i4k s SER 71 Cb -0.07 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1i4k s SER 71 CO -0.00 -0.30 1.34 -2.84 0.98 0.00 0.00 173.24 172.43 1i4k s PRO 72 N -0.59 3.21 0.00 4.02 0.02 -1.26 0.10 135.00 140.49 1i4k s PRO 72 Ca -0.07 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1i4k s PRO 72 Cb -0.04 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1i4k s PRO 72 CO 0.03 -1.13 0.35 0.00 -0.33 0.00 0.00 177.00 175.92