#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 0.28 0.00 -0.52 6.06 -1.26 -5.08 118.95 118.44 1i4k s ARG 4 Ca 0.00 0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 1i4k s ARG 4 Cb 0.00 0.12 0.00 0.00 0.06 0.00 0.00 34.95 35.13 1i4k s ARG 4 CO 0.00 -0.53 0.00 -2.30 -2.50 0.00 0.00 175.30 169.97 1i4k n PRO 5 N 5.18 0.00 0.21 5.12 -0.02 -1.26 0.17 135.00 144.40 1i4k n PRO 5 Ca 0.08 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.62 1i4k n PRO 5 Cb 0.57 0.00 0.46 0.00 -0.02 0.00 0.00 33.50 34.50 1i4k n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i4k h LEU 6 N 0.00 0.00 -0.33 2.45 -0.00 -1.98 -2.02 115.31 113.43 1i4k h LEU 6 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 1i4k h LEU 6 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i4k h LEU 6 CO 0.00 0.29 -0.80 0.44 -0.00 0.00 0.00 178.44 178.37 1i4k h ASP 7 N 0.00 0.48 -0.49 -0.43 3.32 0.13 0.21 116.42 119.64 1i4k h ASP 7 Ca -0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1i4k h ASP 7 Cb 0.58 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1i4k h ASP 7 CO 0.04 1.10 0.20 0.58 -1.72 0.00 0.00 179.24 179.43 1i4k h VAL 8 N 0.25 1.21 -0.60 -1.35 2.07 -1.39 -2.05 116.25 114.40 1i4k h VAL 8 Ca -0.05 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1i4k h VAL 8 Cb 1.39 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1i4k h VAL 8 CO 0.14 0.24 0.40 0.25 0.02 0.00 0.00 177.57 178.62 1i4k h LEU 9 N 0.65 0.69 -0.25 2.57 5.85 -1.11 -2.48 115.31 121.23 1i4k h LEU 9 Ca 0.16 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1i4k h LEU 9 Cb 0.19 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1i4k h LEU 9 CO -0.01 0.50 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.26 1i4k h ASN 10 N 0.81 -0.63 0.00 1.25 -0.73 -0.06 -0.17 115.58 116.05 1i4k h ASN 10 Ca 0.22 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.51 1i4k h ASN 10 Cb -0.09 0.31 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1i4k h ASN 10 CO -0.05 -0.23 0.00 0.54 -0.37 0.00 0.00 177.43 177.32 1i4k n ARG 11 N -5.35 0.00 0.00 6.67 1.74 -0.82 -0.18 116.66 118.72 1i4k n ARG 11 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1i4k n ARG 11 Cb 0.26 -1.35 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i4k n SER 12 N -0.82 1.69 -4.59 0.55 7.64 -0.08 -5.03 113.62 112.98 1i4k n SER 12 Ca 0.00 -1.34 -0.36 0.00 1.01 0.00 0.00 58.87 58.18 1i4k n SER 12 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.46 3.05 -3.02 -3.43 4.77 0.74 -2.40 117.00 117.17 1i4k n LEU 13 Ca 0.05 0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 56.51 1i4k n LEU 13 Cb 0.21 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1i4k n LEU 13 CO 0.05 -2.21 -0.07 0.29 -1.33 0.00 0.00 177.39 174.12 1i4k n LYS 14 N -1.47 -3.22 -3.94 3.23 5.02 0.03 -4.93 118.16 112.88 1i4k n LYS 14 Ca 0.13 0.56 -0.10 0.00 -2.02 0.00 0.00 58.31 56.88 1i4k n LYS 14 Cb 0.49 -5.25 -0.07 0.00 -0.02 0.00 0.00 35.03 30.18 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 -2.50 0.01 0.27 4.39 0.01 -1.01 -4.95 113.70 109.94 1i4k s SER 15 Ca 0.26 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 1i4k s SER 15 Cb -0.13 0.45 -0.09 0.00 0.21 0.00 0.00 66.02 66.45 1i4k s SER 15 CO 0.32 -0.91 0.99 -2.16 0.41 0.00 0.00 173.24 171.89 1i4k s PRO 16 N -3.96 4.71 0.06 12.44 0.04 -1.26 0.19 135.00 147.22 1i4k s PRO 16 Ca 0.17 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 1i4k s PRO 16 Cb 0.03 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1i4k s PRO 16 CO -0.00 0.35 0.03 0.14 0.04 0.00 0.00 177.00 177.56 1i4k s VAL 17 N -1.27 0.19 -0.19 -0.36 -7.23 -0.42 -3.10 120.40 108.03 1i4k s VAL 17 Ca 0.44 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 1i4k s VAL 17 Cb -0.26 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 1i4k s VAL 17 CO 0.33 -0.87 0.01 -0.63 -0.31 0.00 0.00 175.10 173.63 1i4k s ILE 18 N -3.70 4.15 -0.29 -0.62 1.01 0.23 -3.27 121.20 118.70 1i4k s ILE 18 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1i4k s ILE 18 Cb 0.06 -2.86 0.07 0.00 0.01 0.00 0.00 42.46 39.73 1i4k s ILE 18 CO -0.09 0.45 -0.03 -0.69 0.00 0.00 0.00 174.94 174.57 1i4k s VAL 19 N 0.72 2.51 -0.14 2.92 1.01 -0.12 -1.77 120.40 125.54 1i4k s VAL 19 Ca 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 1i4k s VAL 19 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1i4k s VAL 19 CO 0.02 -0.17 0.39 -0.60 0.00 0.00 0.00 175.10 174.74 1i4k s ARG 20 N 1.12 4.30 0.39 2.72 3.52 -0.58 -0.44 118.95 129.97 1i4k s ARG 20 Ca -0.04 0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.92 1i4k s ARG 20 Cb -0.20 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1i4k s ARG 20 CO -0.04 0.20 0.29 -0.51 -0.81 0.00 0.00 175.30 174.43 1i4k s LEU 21 N 0.53 3.36 0.57 -0.88 1.43 -0.61 -0.37 118.68 122.71 1i4k s LEU 21 Ca 0.22 -0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 52.36 1i4k s LEU 21 Cb -0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1i4k s LEU 21 CO 0.07 -0.51 1.22 -0.54 0.23 0.00 0.00 176.35 176.82 1i4k s LYS 22 N -4.01 3.09 0.00 1.70 1.02 -0.47 -3.05 119.74 118.02 1i4k s LYS 22 Ca 0.44 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.28 1i4k s LYS 22 Cb -0.02 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1i4k s LYS 22 CO 0.26 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.98 1i4k n GLY 23 N 0.51 0.96 0.00 -3.33 0.00 -1.26 -4.20 105.19 97.87 1i4k n GLY 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 3.09 2.56 -0.02 0.00 -1.17 -5.05 105.19 102.60 1i4k n GLY 24 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1i4k n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4k n ARG 25 N 0.00 0.00 -3.73 1.61 5.12 -1.26 -4.64 116.66 113.76 1i4k n ARG 25 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1i4k n ARG 25 Cb 0.00 -0.79 -0.08 0.00 -1.16 0.00 0.00 32.46 30.42 1i4k n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1i4k s GLU 26 N -0.84 0.69 -0.01 5.56 2.12 -0.61 -1.58 118.70 124.03 1i4k s GLU 26 Ca 0.44 -0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.82 1i4k s GLU 26 Cb -0.38 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.30 1i4k s GLU 26 CO 0.53 -0.18 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.76 1i4k s PHE 27 N -1.10 2.37 -0.26 5.30 0.40 0.42 0.36 117.98 125.48 1i4k s PHE 27 Ca -0.11 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1i4k s PHE 27 Cb -0.04 -1.50 0.08 0.00 0.51 0.00 0.00 43.02 42.06 1i4k s PHE 27 CO 0.04 0.01 0.03 1.03 0.70 0.00 0.00 175.22 177.04 1i4k s ARG 28 N -0.71 0.99 0.00 0.44 0.52 0.08 -0.94 118.95 119.33 1i4k s ARG 28 Ca 0.10 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1i4k s ARG 28 Cb -0.10 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1i4k s ARG 28 CO -0.00 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 174.96 1i4k n GLY 29 N 4.83 1.97 3.80 -3.53 0.00 -1.20 0.91 105.19 111.97 1i4k n GLY 29 Ca -0.07 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.81 5.25 0.00 2.61 2.01 0.38 -1.30 115.64 121.78 1i4k s THR 30 Ca 0.00 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1i4k s THR 30 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1i4k s THR 30 CO 0.00 0.50 1.09 -0.22 -0.69 0.00 0.00 174.62 175.30 1i4k s LEU 31 N -0.40 4.34 0.00 4.42 2.96 0.13 -0.73 118.68 129.40 1i4k s LEU 31 Ca 0.19 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1i4k s LEU 31 Cb -0.14 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1i4k s LEU 31 CO 0.07 -0.40 0.00 -0.67 -1.32 0.00 0.00 176.35 174.03 1i4k n ASP 32 N 4.23 3.13 -3.65 3.68 2.03 0.14 -0.79 116.55 125.32 1i4k n ASP 32 Ca 0.08 -0.12 -0.01 0.00 0.52 0.00 0.00 54.79 55.26 1i4k n ASP 32 Cb 0.48 0.87 -0.00 0.00 -0.72 0.00 0.00 41.12 41.75 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 -1.50 -0.24 -0.14 0.27 0.00 -1.16 -4.88 107.32 99.68 1i4k s GLY 33 Ca 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 44.72 44.64 1i4k s GLY 33 CO 0.00 0.82 1.30 -2.52 0.00 0.00 0.00 173.10 172.70 1i4k s TYR 34 N -2.70 -0.06 0.24 1.90 -0.85 -1.26 -2.28 117.35 112.34 1i4k s TYR 34 Ca 0.16 0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 56.71 1i4k s TYR 34 Cb 0.01 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1i4k s TYR 34 CO 0.00 -0.17 0.22 0.16 -1.52 0.00 0.00 175.55 174.24 1i4k s ASP 35 N -2.52 0.54 0.43 -0.18 1.47 -1.11 -4.94 116.67 110.37 1i4k s ASP 35 Ca 0.12 -1.44 0.27 0.00 1.18 0.00 0.00 52.55 52.68 1i4k s ASP 35 Cb 0.02 0.46 1.34 0.00 -0.34 0.00 0.00 42.92 44.40 1i4k s ASP 35 CO -0.04 -0.95 1.67 0.16 0.68 0.00 0.00 175.17 176.69 1i4k h ILE 36 N 2.44 0.25 0.00 2.11 3.07 -2.03 1.06 117.51 124.40 1i4k h ILE 36 Ca -0.32 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1i4k h ILE 36 Cb 1.24 0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 1i4k h ILE 36 CO 0.46 0.03 0.00 1.41 -1.05 0.00 0.00 178.15 179.01 1i4k n HIS 37 N -4.64 0.00 -1.83 0.16 8.25 -1.26 -4.88 115.22 111.02 1i4k n HIS 37 Ca 0.33 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.74 1i4k n HIS 37 Cb 1.28 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 32.23 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 -1.15 -0.43 -2.22 -0.41 1.56 0.37 -4.31 117.12 110.53 1i4k n MET 38 Ca 0.18 0.39 -0.35 0.00 -0.27 0.00 0.00 57.70 57.65 1i4k n MET 38 Cb 0.17 -4.18 0.00 0.00 2.15 0.00 0.00 33.22 31.37 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 -2.80 5.69 0.24 6.12 0.01 -1.25 -3.80 114.94 119.14 1i4k s ASN 39 Ca 0.00 2.15 0.09 0.00 -0.71 0.00 0.00 52.86 54.39 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 -1.24 -0.14 -0.76 -1.51 0.00 0.00 177.10 173.45 1i4k s LEU 40 N -3.88 2.56 -0.12 0.60 1.43 0.34 -2.76 118.68 116.84 1i4k s LEU 40 Ca 0.72 -1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1i4k s LEU 40 Cb -0.23 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1i4k s LEU 40 CO 0.28 -0.15 -0.05 -0.69 0.23 0.00 0.00 176.35 175.97 1i4k s VAL 41 N -2.86 0.88 0.13 -1.59 1.01 -0.97 -0.94 120.40 116.06 1i4k s VAL 41 Ca 0.26 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1i4k s VAL 41 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1i4k s VAL 41 CO 0.10 0.25 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 1i4k s LEU 42 N 1.75 2.47 0.05 3.92 1.43 -0.21 -0.68 118.68 127.41 1i4k s LEU 42 Ca 0.04 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1i4k s LEU 42 Cb -0.13 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1i4k s LEU 42 CO -0.07 0.17 -0.26 -0.76 0.23 0.00 0.00 176.35 175.66 1i4k s LEU 43 N -2.15 2.18 -1.26 1.79 1.43 0.09 -1.83 118.68 118.94 1i4k s LEU 43 Ca 0.16 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 1i4k s LEU 43 Cb -0.10 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1i4k s LEU 43 CO 0.08 0.24 0.60 0.47 0.23 0.00 0.00 176.35 177.97 1i4k n ASP 44 N 1.71 -3.47 -4.64 2.29 9.92 -0.90 -0.47 116.55 121.00 1i4k n ASP 44 Ca -0.17 -1.24 -0.27 0.00 -0.53 0.00 0.00 54.79 52.58 1i4k n ASP 44 Cb 0.52 -2.01 -0.08 0.00 -0.64 0.00 0.00 41.12 38.91 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 -3.65 3.13 -0.06 2.24 0.00 -0.86 -4.36 121.76 118.20 1i4k s ALA 45 Ca 0.40 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1i4k s ALA 45 Cb -0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1i4k s ALA 45 CO 0.95 0.53 -0.16 -1.21 0.00 0.00 0.00 175.76 175.87 1i4k s GLU 46 N -2.74 2.60 -0.09 0.00 2.02 0.26 -2.31 118.70 118.44 1i4k s GLU 46 Ca 0.26 -0.74 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 1i4k s GLU 46 Cb -0.10 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1i4k s GLU 46 CO 0.17 0.53 0.53 -2.00 0.02 0.00 0.00 175.26 174.51 1i4k s GLU 47 N -0.51 4.35 -0.03 1.61 2.12 -0.59 -0.74 118.70 124.91 1i4k s GLU 47 Ca 0.07 0.56 0.06 0.00 0.36 0.00 0.00 54.97 56.01 1i4k s GLU 47 Cb -0.12 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1i4k s GLU 47 CO 0.01 0.17 -0.22 0.42 -0.54 0.00 0.00 175.26 175.11 1i4k s ILE 48 N 0.54 1.74 -0.16 -3.70 1.09 0.16 0.31 121.20 121.18 1i4k s ILE 48 Ca 0.29 -0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 58.90 1i4k s ILE 48 Cb -0.16 -1.47 0.04 0.00 -1.06 0.00 0.00 42.46 39.82 1i4k s ILE 48 CO 0.12 0.49 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.85 1i4k s GLN 49 N -0.30 1.15 -1.39 2.79 2.00 -0.90 -1.58 119.66 121.43 1i4k s GLN 49 Ca 0.03 -0.43 0.00 0.00 -2.00 0.00 0.00 55.36 52.96 1i4k s GLN 49 Cb -0.10 -1.91 0.00 0.00 0.80 0.00 0.00 33.01 31.79 1i4k s GLN 49 CO 0.01 -0.47 0.00 0.09 -0.50 0.00 0.00 175.29 174.42 1i4k n ASN 50 N 4.94 -5.24 0.00 6.67 4.13 -1.26 -1.59 115.26 122.91 1i4k n ASN 50 Ca -0.11 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1i4k n ASN 50 Cb 0.48 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.59 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 0.06 0.53 3.55 7.41 0.00 -1.26 -5.08 105.19 110.40 1i4k n GLY 51 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.71 3.84 -0.55 1.61 -1.05 -0.62 -5.03 118.70 116.18 1i4k s GLU 52 Ca 0.00 -0.40 -0.26 0.00 -0.15 0.00 0.00 54.97 54.15 1i4k s GLU 52 Cb 0.00 -3.25 -0.04 0.00 -0.44 0.00 0.00 34.13 30.39 1i4k s GLU 52 CO 0.00 0.08 2.12 0.08 0.95 0.00 0.00 175.26 178.49 1i4k s VAL 53 N 0.89 3.19 0.02 1.83 1.01 -1.26 -2.11 120.40 123.96 1i4k s VAL 53 Ca 0.04 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1i4k s VAL 53 Cb -0.14 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.57 1i4k s VAL 53 CO 0.03 -0.49 1.34 0.58 0.00 0.00 0.00 175.10 176.56 1i4k h VAL 54 N 7.27 0.85 -3.79 2.92 2.07 -0.50 -3.47 116.25 121.60 1i4k h VAL 54 Ca -0.25 -0.57 -0.18 0.00 0.82 0.00 0.00 66.70 66.51 1i4k h VAL 54 Cb 1.21 1.18 -0.23 0.00 -1.52 0.00 0.00 31.29 31.93 1i4k h VAL 54 CO 1.19 0.13 -0.66 -0.60 0.02 0.00 0.00 177.57 177.65 1i4k s ARG 55 N -4.91 0.24 -0.19 1.57 3.52 -1.24 -4.99 118.95 112.96 1i4k s ARG 55 Ca -0.15 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 1i4k s ARG 55 Cb 0.03 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1i4k s ARG 55 CO 0.59 -0.04 -0.08 0.21 -0.81 0.00 0.00 175.30 175.17 1i4k s LYS 56 N -0.92 3.35 0.05 5.12 2.36 -1.26 -1.54 119.74 126.90 1i4k s LYS 56 Ca -0.10 -0.65 0.05 0.00 -2.55 0.00 0.00 55.97 52.71 1i4k s LYS 56 Cb -0.06 -2.88 -0.02 0.00 -1.05 0.00 0.00 37.83 33.81 1i4k s LYS 56 CO -0.00 -0.09 -0.14 0.14 1.55 0.00 0.00 175.35 176.81 1i4k s VAL 57 N 1.17 1.08 -0.66 4.02 -7.23 -0.98 -5.03 120.40 112.77 1i4k s VAL 57 Ca 0.02 -1.12 0.25 0.00 -1.81 0.00 0.00 61.98 59.32 1i4k s VAL 57 Cb -0.14 -1.01 0.14 0.00 0.56 0.00 0.00 36.38 35.92 1i4k s VAL 57 CO -0.02 -0.10 1.48 1.23 -0.31 0.00 0.00 175.10 177.38 1i4k h GLY 58 N 4.66 0.00 -4.76 2.32 0.00 -1.93 -2.29 103.07 101.07 1i4k h GLY 58 Ca -0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1i4k h GLY 58 CO 0.42 0.00 0.04 -0.45 0.00 0.00 0.00 176.54 176.55 1i4k s SER 59 N -4.40 -0.62 -0.17 0.19 0.15 -1.26 -2.13 113.70 105.47 1i4k s SER 59 Ca 0.08 1.03 -0.17 0.00 0.70 0.00 0.00 55.95 57.59 1i4k s SER 59 Cb 0.13 1.02 0.05 0.00 -1.71 0.00 0.00 66.02 65.50 1i4k s SER 59 CO 0.68 -0.33 0.47 0.68 1.20 0.00 0.00 173.24 175.93 1i4k s VAL 60 N -0.18 0.00 -0.21 4.45 -7.23 -0.76 -4.99 120.40 111.48 1i4k s VAL 60 Ca -0.04 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.08 1i4k s VAL 60 Cb -0.03 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 1i4k s VAL 60 CO 0.03 -0.01 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.11 1i4k s VAL 61 N 0.20 3.65 -0.15 1.32 1.01 -1.26 -1.05 120.40 124.13 1i4k s VAL 61 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1i4k s VAL 61 Cb -0.03 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1i4k s VAL 61 CO 0.01 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 1i4k s ILE 62 N 1.22 3.80 0.14 2.22 1.01 -0.12 -4.94 121.20 124.54 1i4k s ILE 62 Ca 0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1i4k s ILE 62 Cb -0.14 -2.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 1i4k s ILE 62 CO -0.00 0.50 1.25 -0.13 0.00 0.00 0.00 174.94 176.56 1i4k s ARG 63 N 0.30 4.43 0.22 2.79 1.81 -1.26 -0.51 118.95 126.73 1i4k s ARG 63 Ca -0.04 1.92 -0.08 0.00 -1.72 0.00 0.00 55.73 55.81 1i4k s ARG 63 Cb -0.14 -3.26 0.28 0.00 -0.45 0.00 0.00 34.95 31.38 1i4k s ARG 63 CO 0.03 -0.22 1.83 0.78 -0.68 0.00 0.00 175.30 177.04 1i4k h GLY 64 N 5.93 1.11 0.45 -3.53 0.00 -1.75 -1.88 103.07 103.39 1i4k h GLY 64 Ca -0.43 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 46.59 1i4k h GLY 64 CO 0.79 0.21 0.77 -1.80 0.00 0.00 0.00 176.54 176.50 1i4k h ASP 65 N 0.81 0.00 -0.01 0.19 1.82 -1.89 0.41 116.42 117.75 1i4k h ASP 65 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1i4k h ASP 65 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1i4k h ASP 65 CO -0.18 0.00 -0.20 0.35 -1.61 0.00 0.00 179.24 177.60 1i4k n THR 66 N -2.66 0.00 -2.88 2.25 -2.24 -0.71 -4.99 114.28 103.04 1i4k n THR 66 Ca -0.00 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1i4k n THR 66 Cb 0.79 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 70.14 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 -1.41 4.95 -0.20 2.28 1.01 0.14 -1.37 120.40 125.80 1i4k s VAL 67 Ca 0.10 1.73 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1i4k s VAL 67 Cb 0.09 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 1i4k s VAL 67 CO 0.27 0.18 0.10 0.52 0.00 0.00 0.00 175.10 176.17 1i4k n VAL 68 N 3.97 1.51 -3.63 2.92 0.31 0.50 -4.91 118.33 119.00 1i4k n VAL 68 Ca 0.03 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1i4k n VAL 68 Cb 0.51 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.35 -0.35 -0.02 3.52 -0.12 -1.14 -5.02 117.98 112.50 1i4k s PHE 69 Ca -0.27 0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 1i4k s PHE 69 Cb 0.06 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 1i4k s PHE 69 CO 0.51 -0.98 0.02 0.08 -0.05 0.00 0.00 175.22 174.80 1i4k s VAL 70 N -3.73 -0.02 -0.09 -2.49 1.01 -1.26 -1.53 120.40 112.29 1i4k s VAL 70 Ca 0.06 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1i4k s VAL 70 Cb -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.28 1i4k s VAL 70 CO -0.03 0.09 0.35 -0.94 0.00 0.00 0.00 175.10 174.56 1i4k s SER 71 N 0.95 -0.31 1.07 3.32 1.04 -0.73 -4.96 113.70 114.08 1i4k s SER 71 Ca -0.08 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1i4k s SER 71 Cb -0.12 0.58 0.23 0.00 0.10 0.00 0.00 66.02 66.82 1i4k s SER 71 CO -0.02 -0.25 1.06 -2.16 0.98 0.00 0.00 173.24 172.85 1i4k s PRO 72 N -0.36 -0.17 0.00 4.02 0.04 -1.26 0.77 135.00 138.04 1i4k s PRO 72 Ca -0.05 0.74 0.31 0.00 0.04 0.00 0.00 61.00 62.04 1i4k s PRO 72 Cb -0.03 -1.65 1.78 0.00 0.04 0.00 0.00 34.50 34.64 1i4k s PRO 72 CO 0.02 -3.19 2.16 0.00 0.04 0.00 0.00 177.00 176.03