#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 3.82 0.16 -0.52 0.52 -1.26 -5.01 118.95 116.66 1i4k s ARG 4 Ca 0.00 -0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 54.59 1i4k s ARG 4 Cb 0.00 -3.23 0.07 0.00 0.52 0.00 0.00 34.95 32.31 1i4k s ARG 4 CO 0.00 0.08 1.63 -1.35 0.02 0.00 0.00 175.30 175.68 1i4k h PRO 5 N 7.32 -0.18 -0.05 3.54 0.11 -2.06 -0.40 132.00 140.27 1i4k h PRO 5 Ca -0.36 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1i4k h PRO 5 Cb 1.17 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i4k h PRO 5 CO 0.64 -0.12 0.32 -0.07 -0.21 0.00 0.00 178.00 178.56 1i4k h LEU 6 N -0.19 0.00 -0.18 2.35 3.38 -1.99 0.68 115.31 119.36 1i4k h LEU 6 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1i4k h LEU 6 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1i4k h LEU 6 CO -0.46 0.00 -0.36 0.44 0.09 0.00 0.00 178.44 178.15 1i4k h ASP 7 N 0.00 0.00 0.54 -0.43 3.32 -1.49 -2.09 116.42 116.27 1i4k h ASP 7 Ca 0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1i4k h ASP 7 Cb 0.67 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1i4k h ASP 7 CO -0.00 0.36 -0.64 0.58 -1.72 0.00 0.00 179.24 177.83 1i4k h VAL 8 N 0.00 1.43 0.11 -1.35 2.07 0.43 -2.85 116.25 116.09 1i4k h VAL 8 Ca -0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1i4k h VAL 8 Cb 1.21 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1i4k h VAL 8 CO 0.05 0.62 -0.05 -0.07 0.02 0.00 0.00 177.57 178.13 1i4k h LEU 9 N 0.07 -0.12 -2.10 2.57 3.38 -1.31 -3.07 115.31 114.72 1i4k h LEU 9 Ca -0.01 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1i4k h LEU 9 Cb 1.14 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1i4k h LEU 9 CO 0.09 0.24 0.32 -1.13 0.09 0.00 0.00 178.44 178.05 1i4k h ASN 10 N -0.50 0.00 1.12 -0.43 -0.73 -1.32 0.35 115.58 114.07 1i4k h ASN 10 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1i4k h ASN 10 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1i4k h ASN 10 CO 0.02 0.00 -0.23 0.54 -0.37 0.00 0.00 177.43 177.39 1i4k n ARG 11 N -3.71 0.20 0.00 6.67 1.74 -1.08 -3.35 116.66 117.13 1i4k n ARG 11 Ca 0.04 0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 1i4k n ARG 11 Cb 0.46 -1.69 0.34 0.00 -1.02 0.00 0.00 32.46 30.56 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 -2.02 1.36 -4.56 0.55 7.64 0.12 -4.92 113.62 111.79 1i4k n SER 12 Ca 0.05 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 1i4k n SER 12 Cb 0.41 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.29 1.74 -0.66 -3.43 4.77 -1.17 -1.07 117.00 116.90 1i4k n LEU 13 Ca 0.13 1.04 -0.08 0.00 -0.03 0.00 0.00 56.01 57.07 1i4k n LEU 13 Cb 0.38 -1.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 1i4k n LEU 13 CO 0.24 -1.83 -0.08 0.29 -1.33 0.00 0.00 177.39 174.68 1i4k n LYS 14 N 0.38 -1.77 -4.37 3.23 4.76 0.12 -4.95 118.16 115.55 1i4k n LYS 14 Ca 0.10 0.78 -0.26 0.00 -2.87 0.00 0.00 58.31 56.06 1i4k n LYS 14 Cb 0.37 -5.19 -0.12 0.00 -1.84 0.00 0.00 35.03 28.25 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1i4k s SER 15 N -2.26 3.11 0.26 4.39 0.01 -0.23 -4.87 113.70 114.11 1i4k s SER 15 Ca 0.00 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 1i4k s SER 15 Cb 0.00 -0.21 -0.10 0.00 0.21 0.00 0.00 66.02 65.93 1i4k s SER 15 CO 0.00 0.10 1.35 -2.16 0.41 0.00 0.00 173.24 172.94 1i4k s PRO 16 N -2.35 4.34 0.16 12.44 0.04 -1.26 -0.73 135.00 147.65 1i4k s PRO 16 Ca 0.15 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1i4k s PRO 16 Cb -0.09 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1i4k s PRO 16 CO 0.07 -0.28 0.03 0.14 0.04 0.00 0.00 177.00 177.00 1i4k s VAL 17 N -0.31 0.45 -0.12 -0.36 -7.23 0.13 -0.36 120.40 112.60 1i4k s VAL 17 Ca 0.55 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1i4k s VAL 17 Cb -0.39 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1i4k s VAL 17 CO 0.44 -0.43 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.98 1i4k s ILE 18 N -3.81 2.44 -0.13 -0.62 1.01 0.25 -2.22 121.20 118.12 1i4k s ILE 18 Ca 0.25 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1i4k s ILE 18 Cb 0.07 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1i4k s ILE 18 CO 0.04 0.54 -0.22 -0.69 0.00 0.00 0.00 174.94 174.61 1i4k s VAL 19 N 0.43 2.05 -0.17 2.92 1.01 0.76 -0.59 120.40 126.81 1i4k s VAL 19 Ca -0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 1i4k s VAL 19 Cb -0.17 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1i4k s VAL 19 CO 0.06 0.55 0.01 -0.60 0.00 0.00 0.00 175.10 175.12 1i4k s ARG 20 N 0.72 3.81 0.42 2.72 3.52 -0.45 -0.92 118.95 128.77 1i4k s ARG 20 Ca -0.09 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.15 1i4k s ARG 20 Cb -0.16 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1i4k s ARG 20 CO 0.00 0.27 0.32 -0.51 -0.81 0.00 0.00 175.30 174.57 1i4k s LEU 21 N 0.33 3.29 0.53 -0.88 1.43 -0.27 0.11 118.68 123.22 1i4k s LEU 21 Ca -0.00 -0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1i4k s LEU 21 Cb -0.13 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1i4k s LEU 21 CO 0.02 -0.63 1.17 -0.54 0.23 0.00 0.00 176.35 176.60 1i4k s LYS 22 N -4.06 3.39 0.00 1.70 1.02 -0.30 -3.06 119.74 118.43 1i4k s LYS 22 Ca 0.46 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1i4k s LYS 22 Cb -0.01 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1i4k s LYS 22 CO 0.26 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1i4k n GLY 23 N 0.34 0.82 1.17 -3.33 0.00 -1.26 -4.09 105.19 98.84 1i4k n GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 3.31 3.66 -0.02 0.00 -1.17 -4.99 105.19 103.97 1i4k n GLY 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.84 1.38 -4.03 1.61 0.63 -1.26 -4.77 116.66 108.38 1i4k n ARG 25 Ca 0.00 0.50 -0.12 0.00 -0.92 0.00 0.00 57.85 57.32 1i4k n ARG 25 Cb 0.00 -2.26 -0.11 0.00 0.45 0.00 0.00 32.46 30.54 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 -2.47 0.44 -0.02 -0.14 2.12 0.16 -1.11 118.70 117.66 1i4k s GLU 26 Ca 0.69 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 55.38 1i4k s GLU 26 Cb -0.47 -0.15 -0.01 0.00 0.26 0.00 0.00 34.13 33.76 1i4k s GLU 26 CO 0.52 0.02 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.03 1i4k s PHE 27 N -1.36 1.60 -0.09 5.30 0.40 -0.09 0.68 117.98 124.41 1i4k s PHE 27 Ca -0.12 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1i4k s PHE 27 Cb -0.10 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1i4k s PHE 27 CO -0.00 -0.08 -0.20 1.03 0.70 0.00 0.00 175.22 176.67 1i4k s ARG 28 N -0.23 2.62 0.00 0.44 0.52 -0.63 -0.17 118.95 121.49 1i4k s ARG 28 Ca 0.03 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1i4k s ARG 28 Cb -0.08 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1i4k s ARG 28 CO 0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1i4k n GLY 29 N 3.70 -1.12 3.65 -3.53 0.00 -0.94 -0.35 105.19 106.60 1i4k n GLY 29 Ca -0.20 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.12 4.99 -0.05 2.61 2.01 -0.19 0.22 115.64 123.12 1i4k s THR 30 Ca 0.00 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 1i4k s THR 30 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1i4k s THR 30 CO 0.00 0.07 1.75 -0.22 -0.69 0.00 0.00 174.62 175.53 1i4k s LEU 31 N 2.18 4.28 0.00 4.42 2.96 0.10 -0.87 118.68 131.74 1i4k s LEU 31 Ca 0.28 2.28 0.06 0.00 -0.22 0.00 0.00 54.13 56.53 1i4k s LEU 31 Cb -0.16 -3.53 0.15 0.00 0.50 0.00 0.00 46.19 43.16 1i4k s LEU 31 CO 0.10 -1.02 1.09 -0.67 -1.32 0.00 0.00 176.35 174.53 1i4k n ASP 32 N 7.51 2.40 0.00 3.68 2.03 0.13 0.15 116.55 132.45 1i4k n ASP 32 Ca 0.18 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1i4k n ASP 32 Cb 0.43 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1i4k n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i4k n GLY 33 N 0.08 3.48 3.83 0.27 0.00 -1.16 -4.88 105.19 106.81 1i4k n GLY 33 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1i4k n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i4k s TYR 34 N -2.00 -0.17 0.29 1.61 -0.85 -1.26 -1.22 117.35 113.75 1i4k s TYR 34 Ca 0.00 -0.25 0.05 0.00 -0.52 0.00 0.00 57.07 56.35 1i4k s TYR 34 Cb 0.00 0.69 -0.02 0.00 0.38 0.00 0.00 41.96 43.01 1i4k s TYR 34 CO 0.00 -1.12 0.18 -0.40 -1.52 0.00 0.00 175.55 172.70 1i4k n ASP 35 N -0.48 0.12 -0.35 -0.18 5.68 -1.03 -4.95 116.55 115.37 1i4k n ASP 35 Ca -0.05 -2.75 0.13 0.00 -0.50 0.00 0.00 54.79 51.62 1i4k n ASP 35 Cb 0.60 1.14 0.33 0.00 -1.14 0.00 0.00 41.12 42.04 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 1.73 0.70 0.00 2.12 5.03 -2.02 0.53 117.51 125.60 1i4k h ILE 36 Ca -0.21 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1i4k h ILE 36 Cb 0.97 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1i4k h ILE 36 CO 0.33 0.14 0.00 1.41 -0.68 0.00 0.00 178.15 179.34 1i4k n HIS 37 N -4.76 0.00 -2.09 1.37 8.25 -1.26 -4.89 115.22 111.84 1i4k n HIS 37 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1i4k n HIS 37 Cb 0.58 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.41 0.00 -2.48 -0.41 2.81 0.18 -4.44 117.12 111.36 1i4k n MET 38 Ca 0.09 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.59 1i4k n MET 38 Cb 0.28 -3.17 -0.04 0.00 -0.71 0.00 0.00 33.22 29.58 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 -2.98 7.13 0.16 7.83 0.01 -1.26 -3.29 114.94 122.55 1i4k s ASN 39 Ca 0.00 2.22 0.08 0.00 -0.71 0.00 0.00 52.86 54.45 1i4k s ASN 39 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1i4k s ASN 39 CO 0.00 -0.24 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.43 1i4k s LEU 40 N -1.74 2.45 -0.10 0.60 1.43 0.27 -2.45 118.68 119.15 1i4k s LEU 40 Ca 0.48 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1i4k s LEU 40 Cb -0.30 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1i4k s LEU 40 CO 0.38 -0.09 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 1i4k s VAL 41 N -2.23 1.28 0.03 -1.59 1.01 -0.36 0.19 120.40 118.73 1i4k s VAL 41 Ca 0.15 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1i4k s VAL 41 Cb -0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1i4k s VAL 41 CO 0.06 0.40 -0.23 -0.76 0.00 0.00 0.00 175.10 174.56 1i4k s LEU 42 N 1.04 2.13 0.24 3.92 1.43 -0.53 0.17 118.68 127.07 1i4k s LEU 42 Ca -0.07 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1i4k s LEU 42 Cb -0.15 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1i4k s LEU 42 CO -0.01 0.23 0.06 -0.76 0.23 0.00 0.00 176.35 176.10 1i4k s LEU 43 N -0.99 3.44 -0.68 1.79 1.43 -0.05 -1.72 118.68 121.90 1i4k s LEU 43 Ca 0.09 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1i4k s LEU 43 Cb -0.09 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1i4k s LEU 43 CO 0.01 0.01 0.53 -0.67 0.23 0.00 0.00 176.35 176.46 1i4k n ASP 44 N -0.78 -4.23 -4.54 2.29 -0.08 -0.99 -1.02 116.55 107.20 1i4k n ASP 44 Ca -0.08 -0.78 -0.26 0.00 -1.51 0.00 0.00 54.79 52.17 1i4k n ASP 44 Cb 0.58 -1.38 -0.10 0.00 2.34 0.00 0.00 41.12 42.55 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4k s ALA 45 N -2.68 2.96 -0.03 -1.67 0.00 -0.56 -4.02 121.76 115.75 1i4k s ALA 45 Ca 0.04 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 49.98 1i4k s ALA 45 Cb -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1i4k s ALA 45 CO 0.78 0.11 -0.09 -1.21 0.00 0.00 0.00 175.76 175.35 1i4k s GLU 46 N -3.61 0.99 -0.07 0.00 2.02 0.53 -0.74 118.70 117.82 1i4k s GLU 46 Ca 0.32 -0.31 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 1i4k s GLU 46 Cb 0.01 -0.92 -0.05 0.00 0.10 0.00 0.00 34.13 33.27 1i4k s GLU 46 CO 0.17 0.11 0.38 -2.00 0.02 0.00 0.00 175.26 173.94 1i4k s GLU 47 N 0.21 4.06 -0.07 1.61 2.12 -0.63 -1.61 118.70 124.39 1i4k s GLU 47 Ca -0.03 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1i4k s GLU 47 Cb -0.09 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.01 1i4k s GLU 47 CO 0.01 0.48 -0.10 0.42 -0.54 0.00 0.00 175.26 175.52 1i4k s ILE 48 N -0.35 1.01 -0.03 -3.70 1.01 0.21 -0.97 121.20 118.40 1i4k s ILE 48 Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1i4k s ILE 48 Cb -0.15 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1i4k s ILE 48 CO 0.10 0.33 -0.04 -1.58 0.00 0.00 0.00 174.94 173.75 1i4k s GLN 49 N 0.87 0.60 -1.28 2.79 2.00 -0.73 -0.67 119.66 123.24 1i4k s GLN 49 Ca -0.11 -0.10 -0.11 0.00 -2.00 0.00 0.00 55.36 53.04 1i4k s GLN 49 Cb -0.15 -0.63 0.09 0.00 0.80 0.00 0.00 33.01 33.12 1i4k s GLN 49 CO 0.01 -0.02 0.49 0.09 -0.50 0.00 0.00 175.29 175.36 1i4k n ASN 50 N 3.70 -3.27 0.00 6.67 4.13 -1.26 -1.38 115.26 123.84 1i4k n ASN 50 Ca -0.22 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1i4k n ASN 50 Cb 0.53 -2.73 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 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 -1.13 0.79 3.17 7.41 0.00 -1.26 -5.06 105.19 109.11 1i4k n GLY 51 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.40 1.14 -0.66 1.61 -1.05 -0.48 -5.09 118.70 113.77 1i4k s GLU 52 Ca 0.00 -0.74 -0.27 0.00 -0.15 0.00 0.00 54.97 53.81 1i4k s GLU 52 Cb 0.00 -1.16 0.01 0.00 -0.44 0.00 0.00 34.13 32.54 1i4k s GLU 52 CO 0.00 0.30 1.49 0.08 0.95 0.00 0.00 175.26 178.08 1i4k s VAL 53 N -0.69 3.62 0.21 1.83 1.01 -1.26 -1.77 120.40 123.34 1i4k s VAL 53 Ca 0.04 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 1i4k s VAL 53 Cb -0.07 -4.51 0.15 0.00 0.00 0.00 0.00 36.38 31.94 1i4k s VAL 53 CO 0.01 -1.42 1.87 0.58 0.00 0.00 0.00 175.10 176.13 1i4k h VAL 54 N 6.37 1.20 -2.95 2.92 2.07 -1.39 -3.47 116.25 121.00 1i4k h VAL 54 Ca -0.27 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1i4k h VAL 54 Cb 1.09 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1i4k h VAL 54 CO 1.24 0.20 0.25 -0.60 0.02 0.00 0.00 177.57 178.68 1i4k s ARG 55 N -6.07 1.73 -0.08 1.57 3.52 -1.22 -5.00 118.95 113.40 1i4k s ARG 55 Ca -0.13 -0.94 -0.00 0.00 -0.13 0.00 0.00 55.73 54.52 1i4k s ARG 55 Cb 0.15 0.59 0.02 0.00 -1.56 0.00 0.00 34.95 34.16 1i4k s ARG 55 CO 0.78 -0.79 -0.05 0.15 -0.81 0.00 0.00 175.30 174.59 1i4k s LYS 56 N -3.87 1.10 0.04 5.12 1.02 -1.26 -1.60 119.74 120.30 1i4k s LYS 56 Ca 0.11 -0.12 0.07 0.00 0.02 0.00 0.00 55.97 56.05 1i4k s LYS 56 Cb -0.05 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1i4k s LYS 56 CO 0.06 -0.21 -0.21 0.14 -0.92 0.00 0.00 175.35 174.21 1i4k s VAL 57 N 1.54 1.66 0.29 3.17 -7.23 0.08 -5.00 120.40 114.91 1i4k s VAL 57 Ca -0.00 -1.18 0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1i4k s VAL 57 Cb -0.13 -1.44 0.29 0.00 0.56 0.00 0.00 36.38 35.66 1i4k s VAL 57 CO -0.04 0.21 1.99 1.23 -0.31 0.00 0.00 175.10 178.18 1i4k h GLY 58 N 4.90 0.00 -3.19 2.32 0.00 -1.94 -1.50 103.07 103.66 1i4k h GLY 58 Ca -0.42 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1i4k h GLY 58 CO 0.44 0.00 0.40 -1.35 0.00 0.00 0.00 176.54 176.03 1i4k s SER 59 N -6.07 -0.42 -0.28 0.19 1.04 -1.26 -2.35 113.70 104.56 1i4k s SER 59 Ca -0.01 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.18 1i4k s SER 59 Cb 0.12 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.78 1i4k s SER 59 CO 0.59 -0.75 0.74 0.54 0.98 0.00 0.00 173.24 175.34 1i4k s VAL 60 N -3.34 0.00 -0.19 5.02 0.11 -0.70 -4.98 120.40 116.32 1i4k s VAL 60 Ca 0.04 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.02 1i4k s VAL 60 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1i4k s VAL 60 CO -0.10 0.00 0.05 -0.69 -3.33 0.00 0.00 175.10 171.04 1i4k s VAL 61 N 0.84 4.61 -0.13 2.04 1.01 -1.26 -1.46 120.40 126.05 1i4k s VAL 61 Ca -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1i4k s VAL 61 Cb -0.05 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1i4k s VAL 61 CO -0.07 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 174.68 1i4k s ILE 62 N 0.60 2.73 -0.17 2.22 1.01 0.13 -4.95 121.20 122.77 1i4k s ILE 62 Ca 0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1i4k s ILE 62 Cb -0.13 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1i4k s ILE 62 CO 0.01 0.53 1.62 -0.13 0.00 0.00 0.00 174.94 176.97 1i4k s ARG 63 N 0.53 3.91 0.58 2.79 1.81 -1.26 -0.56 118.95 126.73 1i4k s ARG 63 Ca -0.10 1.81 0.30 0.00 -1.72 0.00 0.00 55.73 56.02 1i4k s ARG 63 Cb -0.16 -4.02 1.43 0.00 -0.45 0.00 0.00 34.95 31.75 1i4k s ARG 63 CO 0.04 -1.16 1.81 0.78 -0.68 0.00 0.00 175.30 176.09 1i4k h GLY 64 N 11.28 0.00 2.00 -3.53 0.00 -1.78 0.40 103.07 111.44 1i4k h GLY 64 Ca -0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1i4k h GLY 64 CO 0.99 0.00 -0.00 -1.80 0.00 0.00 0.00 176.54 175.73 1i4k h ASP 65 N 0.00 0.00 -0.02 0.19 -0.00 -1.85 -2.29 116.42 112.45 1i4k h ASP 65 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 1i4k h ASP 65 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.98 1i4k h ASP 65 CO -0.00 0.00 -0.42 0.35 -0.00 0.00 0.00 179.24 179.17 1i4k n THR 66 N -3.09 0.00 -2.74 2.25 -2.24 0.13 -4.97 114.28 103.61 1i4k n THR 66 Ca -0.02 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 1i4k n THR 66 Cb 0.12 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.32 4.18 -0.26 2.28 1.01 -0.86 -1.15 120.40 123.27 1i4k s VAL 67 Ca 0.18 2.08 -0.13 0.00 0.00 0.00 0.00 61.98 64.10 1i4k s VAL 67 Cb 0.17 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 1i4k s VAL 67 CO 0.52 0.45 -0.34 0.52 0.00 0.00 0.00 175.10 176.25 1i4k n VAL 68 N 1.84 1.43 -3.68 2.92 0.31 0.31 -4.88 118.33 116.58 1i4k n VAL 68 Ca -0.01 -0.35 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1i4k n VAL 68 Cb 0.48 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.49 -0.17 -0.05 3.52 -0.12 -1.16 -5.01 117.98 112.50 1i4k s PHE 69 Ca -0.36 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1i4k s PHE 69 Cb 0.14 0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1i4k s PHE 69 CO 0.46 -0.85 -0.02 0.08 -0.05 0.00 0.00 175.22 174.83 1i4k s VAL 70 N -3.85 0.44 -0.02 -2.49 1.01 -1.26 -1.35 120.40 112.89 1i4k s VAL 70 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1i4k s VAL 70 Cb -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1i4k s VAL 70 CO -0.06 0.23 -0.08 -0.55 0.00 0.00 0.00 175.10 174.63 1i4k s SER 71 N 1.27 1.09 0.34 3.32 0.15 0.24 -4.96 113.70 115.16 1i4k s SER 71 Ca -0.06 -0.17 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 1i4k s SER 71 Cb -0.14 -0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 63.83 1i4k s SER 71 CO -0.02 0.07 1.26 -2.16 1.20 0.00 0.00 173.24 173.59 1i4k s PRO 72 N 0.10 4.30 0.00 5.44 0.04 -1.26 0.88 135.00 144.49 1i4k s PRO 72 Ca -0.01 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.19 1i4k s PRO 72 Cb -0.07 -3.00 0.33 0.00 0.04 0.00 0.00 34.50 31.80 1i4k s PRO 72 CO 0.00 -0.19 0.80 0.00 0.04 0.00 0.00 177.00 177.64