#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 0.32 0.16 -0.52 3.52 -1.26 -5.08 118.95 116.09 1i4k s ARG 4 Ca 0.00 1.00 -0.17 0.00 -0.13 0.00 0.00 55.73 56.43 1i4k s ARG 4 Cb 0.00 0.28 0.11 0.00 -1.56 0.00 0.00 34.95 33.78 1i4k s ARG 4 CO 0.00 -0.27 1.22 -2.30 -0.81 0.00 0.00 175.30 173.13 1i4k n PRO 5 N 5.39 -0.24 0.23 5.12 -0.02 -1.26 -0.67 135.00 143.55 1i4k n PRO 5 Ca -0.08 1.20 0.06 0.00 -2.02 0.00 0.00 63.50 62.66 1i4k n PRO 5 Cb 0.49 -1.78 0.54 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.58 2.45 -0.00 -1.98 -2.89 115.31 112.32 1i4k h LEU 6 Ca 0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.95 1i4k h LEU 6 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1i4k h LEU 6 CO -0.77 0.16 -0.60 0.44 -0.00 0.00 0.00 178.44 177.68 1i4k h ASP 7 N 0.00 0.41 -0.81 -0.43 3.32 -1.33 -2.46 116.42 115.13 1i4k h ASP 7 Ca -0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1i4k h ASP 7 Cb 0.30 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1i4k h ASP 7 CO 0.02 0.92 0.43 0.58 -1.72 0.00 0.00 179.24 179.47 1i4k h VAL 8 N 0.27 1.24 -0.96 -1.35 2.07 -1.29 -0.89 116.25 115.35 1i4k h VAL 8 Ca -0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1i4k h VAL 8 Cb 1.12 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1i4k h VAL 8 CO 0.10 0.28 0.60 -0.07 0.02 0.00 0.00 177.57 178.50 1i4k h LEU 9 N 1.13 1.13 -1.26 2.57 3.38 -1.49 -1.31 115.31 119.45 1i4k h LEU 9 Ca 0.28 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1i4k h LEU 9 Cb 0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1i4k h LEU 9 CO -0.04 0.85 0.52 -1.13 0.09 0.00 0.00 178.44 178.72 1i4k h ASN 10 N 1.31 0.82 0.16 -0.43 -0.73 -0.71 -1.45 115.58 114.55 1i4k h ASN 10 Ca 0.35 -0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.38 1i4k h ASN 10 Cb -0.10 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.30 1i4k h ASN 10 CO -0.07 0.56 -0.49 0.03 -0.37 0.00 0.00 177.43 177.09 1i4k h ARG 11 N 0.95 0.38 0.00 6.67 3.08 -0.43 -2.79 114.38 122.24 1i4k h ARG 11 Ca 0.32 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1i4k h ARG 11 Cb 0.08 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1i4k h ARG 11 CO -0.10 0.79 0.00 0.43 -1.07 0.00 0.00 179.97 180.02 1i4k n SER 12 N -3.97 0.00 -4.76 7.04 7.64 -0.56 -4.85 113.62 114.16 1i4k n SER 12 Ca -0.02 -1.27 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 1i4k n SER 12 Cb 0.55 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.45 4.34 -1.77 -3.43 1.43 -1.06 -1.22 118.68 115.52 1i4k s LEU 13 Ca 0.18 2.99 -0.00 0.00 -1.03 0.00 0.00 54.13 56.26 1i4k s LEU 13 Cb 0.08 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1i4k s LEU 13 CO 0.14 -0.91 0.05 0.29 0.23 0.00 0.00 176.35 176.15 1i4k n LYS 14 N 1.69 -1.95 -4.29 1.70 5.02 0.81 -4.98 118.16 116.16 1i4k n LYS 14 Ca 0.06 1.01 -0.18 0.00 -2.02 0.00 0.00 58.31 57.18 1i4k n LYS 14 Cb 0.38 -5.69 -0.13 0.00 -0.02 0.00 0.00 35.03 29.56 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 -2.10 1.31 -0.13 4.39 0.01 -0.35 -4.90 113.70 111.91 1i4k s SER 15 Ca 0.03 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1i4k s SER 15 Cb -0.01 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.08 1i4k s SER 15 CO 0.03 0.01 2.06 -2.16 0.41 0.00 0.00 173.24 173.58 1i4k s PRO 16 N -0.96 3.55 0.14 12.44 0.04 -1.26 -2.32 135.00 146.63 1i4k s PRO 16 Ca -0.00 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.30 1i4k s PRO 16 Cb -0.07 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1i4k s PRO 16 CO 0.01 -1.62 -0.22 0.14 0.04 0.00 0.00 177.00 175.34 1i4k s VAL 17 N 6.62 1.97 -0.15 -0.36 -7.23 -0.52 -2.53 120.40 118.21 1i4k s VAL 17 Ca 0.93 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1i4k s VAL 17 Cb -0.35 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1i4k s VAL 17 CO 0.37 -0.09 0.06 -0.63 -0.31 0.00 0.00 175.10 174.50 1i4k s ILE 18 N -1.40 4.75 -0.22 -0.62 1.01 -0.26 -2.70 121.20 121.76 1i4k s ILE 18 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1i4k s ILE 18 Cb -0.09 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.33 1i4k s ILE 18 CO 0.06 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.71 1i4k s VAL 19 N -0.07 1.83 0.00 2.92 1.01 0.28 -0.68 120.40 125.69 1i4k s VAL 19 Ca 0.06 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.62 1i4k s VAL 19 Cb -0.12 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1i4k s VAL 19 CO 0.01 0.12 0.60 -0.60 0.00 0.00 0.00 175.10 175.23 1i4k s ARG 20 N 1.30 4.32 0.25 2.72 6.06 -0.54 -0.85 118.95 132.21 1i4k s ARG 20 Ca -0.03 0.75 0.11 0.00 -2.50 0.00 0.00 55.73 54.06 1i4k s ARG 20 Cb -0.17 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 31.45 1i4k s ARG 20 CO -0.08 0.37 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.45 1i4k s LEU 21 N -0.22 2.77 0.39 -0.88 1.02 -0.33 -0.65 118.68 120.78 1i4k s LEU 21 Ca 0.31 -0.86 -0.27 0.00 0.02 0.00 0.00 54.13 53.33 1i4k s LEU 21 Cb -0.18 -1.33 -0.10 0.00 0.02 0.00 0.00 46.19 44.60 1i4k s LEU 21 CO 0.18 0.05 1.46 -0.54 0.02 0.00 0.00 176.35 177.52 1i4k s LYS 22 N -3.37 4.01 0.00 1.70 1.02 -0.67 -1.51 119.74 120.93 1i4k s LYS 22 Ca 0.29 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.80 1i4k s LYS 22 Cb -0.06 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1i4k s LYS 22 CO 0.16 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 1i4k n GLY 23 N 0.50 3.18 0.00 -3.33 0.00 -1.26 -4.45 105.19 99.83 1i4k n GLY 23 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.05 1.67 3.66 -0.02 0.00 -0.57 -5.08 105.19 103.80 1i4k n GLY 24 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 1.85 -4.48 1.61 5.12 -1.26 -4.61 116.66 114.89 1i4k n ARG 25 Ca 0.00 0.65 -0.24 0.00 -1.93 0.00 0.00 57.85 56.33 1i4k n ARG 25 Cb 0.00 -2.18 -0.10 0.00 -1.16 0.00 0.00 32.46 29.02 1i4k n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1i4k s GLU 26 N -1.44 1.68 -0.04 5.56 2.02 -0.54 -1.19 118.70 124.75 1i4k s GLU 26 Ca 0.59 -1.82 -0.00 0.00 0.02 0.00 0.00 54.97 53.77 1i4k s GLU 26 Cb -0.63 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1i4k s GLU 26 CO 0.59 0.21 -0.00 -0.06 0.02 0.00 0.00 175.26 176.02 1i4k s PHE 27 N -2.65 0.46 -0.11 1.61 0.40 -0.03 -0.62 117.98 117.04 1i4k s PHE 27 Ca 0.30 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1i4k s PHE 27 Cb -0.01 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1i4k s PHE 27 CO 0.14 -0.20 -0.20 -0.98 0.70 0.00 0.00 175.22 174.69 1i4k s ARG 28 N 1.34 2.69 0.02 0.44 1.70 -0.96 -0.55 118.95 123.63 1i4k s ARG 28 Ca -0.05 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 1i4k s ARG 28 Cb -0.13 -2.14 0.04 0.00 -0.57 0.00 0.00 34.95 32.14 1i4k s ARG 28 CO -0.02 0.04 0.52 0.41 -1.08 0.00 0.00 175.30 175.17 1i4k n GLY 29 N 3.90 0.64 3.64 3.88 0.00 -1.10 -1.50 105.19 114.65 1i4k n GLY 29 Ca -0.20 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.18 4.81 -0.23 2.61 2.01 0.54 -1.43 115.64 121.77 1i4k s THR 30 Ca 0.12 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.35 1i4k s THR 30 Cb -0.01 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1i4k s THR 30 CO 0.01 -0.12 1.75 -0.22 -0.69 0.00 0.00 174.62 175.35 1i4k s LEU 31 N 2.90 3.78 -0.04 4.42 2.96 -0.98 0.53 118.68 132.25 1i4k s LEU 31 Ca 0.35 1.64 0.16 0.00 -0.22 0.00 0.00 54.13 56.06 1i4k s LEU 31 Cb -0.15 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.76 1i4k s LEU 31 CO 0.08 -1.44 0.33 -0.67 -1.32 0.00 0.00 176.35 173.34 1i4k n ASP 32 N 9.20 1.25 -3.59 3.68 2.03 0.22 -0.14 116.55 129.20 1i4k n ASP 32 Ca 0.21 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.47 1i4k n ASP 32 Cb 0.45 1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 42.50 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 -3.99 -0.37 0.17 0.27 0.00 -0.83 -4.88 107.32 97.69 1i4k s GLY 33 Ca -0.06 0.95 -0.24 0.00 0.00 0.00 0.00 44.72 45.36 1i4k s GLY 33 CO 0.68 0.29 0.81 -2.52 0.00 0.00 0.00 173.10 172.36 1i4k s TYR 34 N -2.89 -0.26 0.22 1.90 -0.85 -1.26 -0.18 117.35 114.04 1i4k s TYR 34 Ca 0.09 -0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 1i4k s TYR 34 Cb -0.00 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.95 1i4k s TYR 34 CO -0.05 -0.91 0.12 -0.40 -1.52 0.00 0.00 175.55 172.79 1i4k n ASP 35 N -0.41 0.51 -0.19 -0.18 5.68 -1.13 -4.94 116.55 115.88 1i4k n ASP 35 Ca -0.08 -2.27 -0.03 0.00 -0.50 0.00 0.00 54.79 51.91 1i4k n ASP 35 Cb 0.61 0.75 0.07 0.00 -1.14 0.00 0.00 41.12 41.41 1i4k n ASP 35 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1i4k h ILE 36 N 1.48 0.98 0.00 2.12 3.07 -2.03 0.13 117.51 123.26 1i4k h ILE 36 Ca -0.17 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1i4k h ILE 36 Cb 0.71 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 1i4k h ILE 36 CO 0.26 0.11 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 1i4k n HIS 37 N -4.83 0.00 -3.41 0.16 8.25 -1.26 -4.85 115.22 109.28 1i4k n HIS 37 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.34 1i4k n HIS 37 Cb 0.14 -0.18 0.07 0.00 1.12 0.00 0.00 29.99 31.14 1i4k n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i4k n MET 38 N -1.18 -3.90 -2.92 -0.41 0.00 0.44 -4.54 117.12 104.60 1i4k n MET 38 Ca 0.09 0.79 -0.36 0.00 0.00 0.00 0.00 57.70 58.23 1i4k n MET 38 Cb 0.10 -5.60 -0.06 0.00 0.00 0.00 0.00 33.22 27.66 1i4k n MET 38 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1i4k s ASN 39 N -3.84 7.14 0.23 3.17 0.01 -1.26 -4.01 114.94 116.39 1i4k s ASN 39 Ca 0.25 1.63 0.11 0.00 -0.71 0.00 0.00 52.86 54.14 1i4k s ASN 39 Cb -0.04 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1i4k s ASN 39 CO 0.76 -0.08 -0.20 -0.76 -1.51 0.00 0.00 177.10 175.30 1i4k s LEU 40 N -2.26 2.53 -0.19 0.60 1.43 -0.32 -2.83 118.68 117.64 1i4k s LEU 40 Ca 0.50 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1i4k s LEU 40 Cb -0.16 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 45.08 1i4k s LEU 40 CO 0.21 0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 176.07 1i4k s VAL 41 N -2.29 1.27 0.01 -1.59 1.01 0.75 -0.26 120.40 119.30 1i4k s VAL 41 Ca 0.25 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1i4k s VAL 41 Cb -0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1i4k s VAL 41 CO 0.12 0.06 -0.02 -0.76 0.00 0.00 0.00 175.10 174.49 1i4k s LEU 42 N 1.55 3.39 0.20 3.92 1.43 -0.48 0.69 118.68 129.38 1i4k s LEU 42 Ca -0.01 -0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 1i4k s LEU 42 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1i4k s LEU 42 CO -0.07 0.26 -0.11 -0.76 0.23 0.00 0.00 176.35 175.90 1i4k s LEU 43 N -1.63 2.88 -1.57 1.79 1.43 0.19 -0.97 118.68 120.80 1i4k s LEU 43 Ca 0.20 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1i4k s LEU 43 Cb -0.11 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1i4k s LEU 43 CO 0.11 0.09 0.04 0.47 0.23 0.00 0.00 176.35 177.28 1i4k n ASP 44 N -0.12 0.79 -4.85 2.29 9.92 -0.33 -0.34 116.55 123.92 1i4k n ASP 44 Ca -0.10 -1.28 -0.24 0.00 -0.53 0.00 0.00 54.79 52.64 1i4k n ASP 44 Cb 0.56 -1.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.41 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 -4.32 4.09 -0.10 2.24 0.00 -0.37 -4.38 121.76 118.92 1i4k s ALA 45 Ca 0.05 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 1i4k s ALA 45 Cb -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1i4k s ALA 45 CO 1.00 -0.30 0.32 -1.83 0.00 0.00 0.00 175.76 174.95 1i4k s GLU 46 N -4.13 0.43 0.25 0.00 -1.05 -0.56 -0.93 118.70 112.70 1i4k s GLU 46 Ca 0.40 0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 55.31 1i4k s GLU 46 Cb -0.01 0.21 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 1i4k s GLU 46 CO 0.24 -0.07 0.85 -2.00 0.95 0.00 0.00 175.26 175.23 1i4k s GLU 47 N -0.09 4.55 -0.12 -4.83 2.12 -0.59 -2.26 118.70 117.48 1i4k s GLU 47 Ca -0.02 1.21 -0.06 0.00 0.36 0.00 0.00 54.97 56.45 1i4k s GLU 47 Cb -0.03 -3.02 0.05 0.00 0.26 0.00 0.00 34.13 31.39 1i4k s GLU 47 CO 0.01 0.42 0.28 0.96 -0.54 0.00 0.00 175.26 176.40 1i4k s ILE 48 N -1.40 -0.04 0.05 -3.70 -4.36 0.20 -0.93 121.20 111.02 1i4k s ILE 48 Ca 0.43 0.14 0.09 0.00 -0.26 0.00 0.00 60.65 61.05 1i4k s ILE 48 Cb -0.21 -0.43 -0.03 0.00 1.25 0.00 0.00 42.46 43.04 1i4k s ILE 48 CO 0.25 0.06 -0.26 -1.58 0.24 0.00 0.00 174.94 173.65 1i4k s GLN 49 N 1.31 1.71 -1.43 0.37 0.74 -0.48 -1.47 119.66 120.42 1i4k s GLN 49 Ca -0.09 -1.10 -0.15 0.00 0.05 0.00 0.00 55.36 54.07 1i4k s GLN 49 Cb -0.10 -1.90 0.13 0.00 1.10 0.00 0.00 33.01 32.24 1i4k s GLN 49 CO -0.09 0.49 0.57 0.09 -0.55 0.00 0.00 175.29 175.79 1i4k n ASN 50 N 1.74 -2.90 -0.19 6.67 4.13 -1.26 -0.30 115.26 123.15 1i4k n ASN 50 Ca -0.17 -0.70 -0.02 0.00 1.68 0.00 0.00 54.58 55.37 1i4k n ASN 50 Cb 0.52 -2.42 -0.01 0.00 -1.54 0.00 0.00 39.78 36.33 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 -1.15 0.57 3.14 7.41 0.00 -1.26 -5.03 105.19 108.87 1i4k n GLY 51 Ca 0.05 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.44 1.38 -0.01 1.61 -1.05 0.59 -5.11 118.70 114.68 1i4k s GLU 52 Ca 0.00 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 53.94 1i4k s GLU 52 Cb 0.00 -1.31 -0.06 0.00 -0.44 0.00 0.00 34.13 32.31 1i4k s GLU 52 CO 0.00 0.33 1.63 0.08 0.95 0.00 0.00 175.26 178.25 1i4k s VAL 53 N -0.30 3.42 -0.34 1.83 1.01 -1.26 -1.38 120.40 123.36 1i4k s VAL 53 Ca 0.05 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1i4k s VAL 53 Cb -0.07 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1i4k s VAL 53 CO -0.00 -0.03 0.34 1.33 0.00 0.00 0.00 175.10 176.73 1i4k n VAL 54 N 5.15 0.00 -3.54 2.92 0.24 -0.11 -4.94 118.33 118.06 1i4k n VAL 54 Ca 0.16 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1i4k n VAL 54 Cb 0.42 0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.92 0.81 -0.29 7.34 0.52 -1.13 -4.95 118.95 119.33 1i4k s ARG 55 Ca 0.02 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1i4k s ARG 55 Cb 0.06 0.38 0.09 0.00 0.52 0.00 0.00 34.95 36.00 1i4k s ARG 55 CO 0.35 -0.28 0.07 0.15 0.02 0.00 0.00 175.30 175.62 1i4k s LYS 56 N -1.58 0.84 0.00 3.54 1.02 -1.26 -1.54 119.74 120.76 1i4k s LYS 56 Ca -0.03 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 54.93 1i4k s LYS 56 Cb -0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1i4k s LYS 56 CO 0.02 -0.90 0.01 0.08 -0.92 0.00 0.00 175.35 173.64 1i4k s VAL 57 N 1.58 4.24 -0.49 3.17 1.01 -0.11 -4.99 120.40 124.81 1i4k s VAL 57 Ca 0.07 -0.59 0.24 0.00 0.00 0.00 0.00 61.98 61.70 1i4k s VAL 57 Cb -0.17 -2.91 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1i4k s VAL 57 CO -0.20 0.36 1.33 1.23 0.00 0.00 0.00 175.10 177.82 1i4k h GLY 58 N 4.25 0.00 -5.73 4.51 0.00 -1.92 -0.97 103.07 103.21 1i4k h GLY 58 Ca -0.49 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.95 1i4k h GLY 58 CO 0.58 0.00 0.30 -1.35 0.00 0.00 0.00 176.54 176.07 1i4k s SER 59 N -4.92 -0.59 0.05 0.19 1.04 -1.26 -1.19 113.70 107.03 1i4k s SER 59 Ca 0.05 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.41 1i4k s SER 59 Cb 0.11 1.35 -0.03 0.00 0.10 0.00 0.00 66.02 67.55 1i4k s SER 59 CO 0.72 -0.14 -0.09 0.68 0.98 0.00 0.00 173.24 175.39 1i4k s VAL 60 N 1.62 0.66 -0.30 5.02 -7.23 -0.14 -4.98 120.40 115.05 1i4k s VAL 60 Ca -0.08 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1i4k s VAL 60 Cb -0.04 -0.74 0.05 0.00 0.56 0.00 0.00 36.38 36.20 1i4k s VAL 60 CO -0.16 -0.37 0.00 -0.69 -0.31 0.00 0.00 175.10 173.57 1i4k s VAL 61 N -1.45 3.05 -0.17 1.32 1.01 -1.26 -1.38 120.40 121.53 1i4k s VAL 61 Ca -0.08 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 1i4k s VAL 61 Cb -0.09 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1i4k s VAL 61 CO 0.01 -0.09 0.09 -0.63 0.00 0.00 0.00 175.10 174.48 1i4k s ILE 62 N 1.27 5.05 -0.03 2.22 1.01 0.64 -4.95 121.20 126.40 1i4k s ILE 62 Ca -0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1i4k s ILE 62 Cb -0.19 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1i4k s ILE 62 CO -0.01 0.50 1.47 -0.13 0.00 0.00 0.00 174.94 176.77 1i4k s ARG 63 N -0.02 4.24 0.44 2.79 1.81 -1.26 -1.18 118.95 125.77 1i4k s ARG 63 Ca 0.08 2.02 0.20 0.00 -1.72 0.00 0.00 55.73 56.30 1i4k s ARG 63 Cb -0.12 -3.71 1.16 0.00 -0.45 0.00 0.00 34.95 31.83 1i4k s ARG 63 CO 0.00 -0.68 1.86 0.78 -0.68 0.00 0.00 175.30 176.59 1i4k h GLY 64 N 9.04 0.71 0.97 -3.53 0.00 -1.80 -1.23 103.07 107.22 1i4k h GLY 64 Ca -0.37 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 46.91 1i4k h GLY 64 CO 0.93 -0.01 0.41 -1.80 0.00 0.00 0.00 176.54 176.07 1i4k h ASP 65 N 0.33 0.00 -0.35 0.19 1.82 -1.88 -0.40 116.42 116.12 1i4k h ASP 65 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 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 -0.15 0.00 0.00 0.35 -1.61 0.00 0.00 179.24 177.83 1i4k n THR 66 N -3.67 0.53 -3.13 2.25 -2.24 -0.47 -4.94 114.28 102.61 1i4k n THR 66 Ca 0.06 -0.76 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 1i4k n THR 66 Cb 0.58 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.34 5.03 -0.12 2.28 1.01 -0.16 -1.67 120.40 125.43 1i4k s VAL 67 Ca 0.34 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 1i4k s VAL 67 Cb 0.20 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 32.39 1i4k s VAL 67 CO 0.28 0.12 0.37 0.52 0.00 0.00 0.00 175.10 176.39 1i4k n VAL 68 N 4.64 1.73 -3.55 2.92 0.31 0.18 -4.91 118.33 119.65 1i4k n VAL 68 Ca -0.02 -0.68 -0.07 0.00 -0.01 0.00 0.00 64.34 63.57 1i4k n VAL 68 Cb 0.50 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.56 -0.25 -0.20 3.52 -0.12 -1.18 -5.01 117.98 112.17 1i4k s PHE 69 Ca -0.20 0.14 -0.02 0.00 -0.05 0.00 0.00 56.93 56.80 1i4k s PHE 69 Cb 0.07 0.54 0.06 0.00 -0.63 0.00 0.00 43.02 43.05 1i4k s PHE 69 CO 0.77 -0.44 0.00 0.08 -0.05 0.00 0.00 175.22 175.58 1i4k s VAL 70 N -2.88 0.85 -0.41 -2.49 1.01 -1.26 -1.47 120.40 113.76 1i4k s VAL 70 Ca 0.07 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1i4k s VAL 70 Cb -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1i4k s VAL 70 CO -0.07 -0.13 0.55 -0.55 0.00 0.00 0.00 175.10 174.90 1i4k s SER 71 N 1.71 6.29 -0.55 3.32 0.15 0.14 -4.93 113.70 119.82 1i4k s SER 71 Ca -0.02 -0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.22 1i4k s SER 71 Cb -0.17 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1i4k s SER 71 CO -0.07 -0.63 1.70 -0.81 1.20 0.00 0.00 173.24 174.62 1i4k n PRO 72 N 5.92 1.23 0.00 5.44 -0.04 -1.26 -1.10 135.00 145.19 1i4k n PRO 72 Ca -0.04 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1i4k n PRO 72 Cb 0.48 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1i4k n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46