#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4k n PRO 3 N 0.00 0.26 -4.48 0.52 -0.02 -1.26 -5.01 135.00 125.02 1i4k n PRO 3 Ca 0.00 0.13 -0.34 0.00 -2.02 0.00 0.00 63.50 61.28 1i4k n PRO 3 Cb 0.00 -1.89 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 1i4k n PRO 3 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1i4k s ARG 4 N -2.93 3.59 0.46 -0.52 6.06 -1.26 -5.02 118.95 119.32 1i4k s ARG 4 Ca 0.66 -0.55 0.14 0.00 -2.50 0.00 0.00 55.73 53.47 1i4k s ARG 4 Cb -0.33 -2.85 1.08 0.00 0.06 0.00 0.00 34.95 32.90 1i4k s ARG 4 CO 0.58 0.26 2.04 -1.35 -2.50 0.00 0.00 175.30 174.33 1i4k h PRO 5 N 6.63 0.30 -0.44 5.12 0.11 -1.99 -2.23 132.00 139.50 1i4k h PRO 5 Ca -0.31 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 1i4k h PRO 5 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1i4k h PRO 5 CO 0.61 0.20 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.36 1i4k h LEU 6 N 0.31 0.85 -0.70 2.35 -0.00 -1.99 -2.16 115.31 113.97 1i4k h LEU 6 Ca 0.17 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.88 57.68 1i4k h LEU 6 Cb 0.30 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 1i4k h LEU 6 CO -0.04 1.01 0.04 0.44 -0.00 0.00 0.00 178.44 179.89 1i4k h ASP 7 N 0.75 1.00 0.55 -0.43 3.32 -1.84 -1.65 116.42 118.12 1i4k h ASP 7 Ca 0.11 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1i4k h ASP 7 Cb 0.69 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1i4k h ASP 7 CO 0.05 1.04 -0.20 0.58 -1.72 0.00 0.00 179.24 178.99 1i4k h VAL 8 N 0.96 0.67 0.01 -1.35 2.07 -1.30 -1.69 116.25 115.61 1i4k h VAL 8 Ca 0.18 -0.85 -0.20 0.00 0.82 0.00 0.00 66.70 66.65 1i4k h VAL 8 Cb 0.50 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1i4k h VAL 8 CO 0.02 0.19 -0.89 0.25 0.02 0.00 0.00 177.57 177.17 1i4k h LEU 9 N 0.00 0.26 -0.39 2.57 5.85 -0.72 -3.22 115.31 119.66 1i4k h LEU 9 Ca -0.00 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1i4k h LEU 9 Cb 0.52 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1i4k h LEU 9 CO 0.03 1.02 -0.18 -1.13 -0.34 0.00 0.00 178.44 177.84 1i4k h ASN 10 N 0.11 0.84 0.00 1.25 -0.73 -0.45 -2.67 115.58 113.93 1i4k h ASN 10 Ca -0.05 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1i4k h ASN 10 Cb 1.52 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1i4k h ASN 10 CO 0.14 1.05 0.00 0.54 -0.37 0.00 0.00 177.43 178.79 1i4k n ARG 11 N -4.26 0.12 -0.04 6.67 1.74 -0.81 -0.73 116.66 119.35 1i4k n ARG 11 Ca -0.02 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 1i4k n ARG 11 Cb 0.42 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.95 1.95 -4.76 0.55 7.64 -1.01 -4.99 113.62 112.05 1i4k n SER 12 Ca 0.03 -1.63 -0.41 0.00 1.01 0.00 0.00 58.87 57.87 1i4k n SER 12 Cb 0.01 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.73 4.44 -0.13 -3.43 1.43 0.09 -2.38 118.68 117.97 1i4k s LEU 13 Ca 0.08 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1i4k s LEU 13 Cb 0.05 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1i4k s LEU 13 CO 0.07 -0.48 0.00 0.29 0.23 0.00 0.00 176.35 176.45 1i4k n LYS 14 N 1.19 -0.76 -4.52 1.70 4.76 -0.10 -4.99 118.16 115.44 1i4k n LYS 14 Ca 0.01 0.29 -0.25 0.00 -2.87 0.00 0.00 58.31 55.49 1i4k n LYS 14 Cb 0.42 -3.92 -0.10 0.00 -1.84 0.00 0.00 35.03 29.58 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 -2.14 3.64 0.40 4.39 0.01 -1.00 -4.95 113.70 114.06 1i4k s SER 15 Ca 0.00 -1.15 -0.24 0.00 1.31 0.00 0.00 55.95 55.87 1i4k s SER 15 Cb 0.00 -0.33 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1i4k s SER 15 CO 0.00 -0.14 1.02 -2.16 0.41 0.00 0.00 173.24 172.37 1i4k s PRO 16 N -3.59 4.20 0.14 12.44 0.04 -1.26 -2.52 135.00 144.46 1i4k s PRO 16 Ca 0.32 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1i4k s PRO 16 Cb 0.01 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1i4k s PRO 16 CO 0.16 -0.09 0.29 0.14 0.04 0.00 0.00 177.00 177.54 1i4k s VAL 17 N -1.74 0.08 -0.09 -0.36 -7.23 -0.71 -2.73 120.40 107.61 1i4k s VAL 17 Ca 0.58 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 59.60 1i4k s VAL 17 Cb -0.19 -1.61 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 1i4k s VAL 17 CO 0.24 -0.38 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.79 1i4k s ILE 18 N -3.91 2.11 -0.13 -0.62 1.01 0.19 -3.13 121.20 116.72 1i4k s ILE 18 Ca 0.12 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1i4k s ILE 18 Cb 0.03 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1i4k s ILE 18 CO -0.04 0.56 -0.14 -0.69 0.00 0.00 0.00 174.94 174.63 1i4k s VAL 19 N 0.21 1.49 -0.10 2.92 1.01 -0.42 -1.06 120.40 124.45 1i4k s VAL 19 Ca -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1i4k s VAL 19 Cb -0.17 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1i4k s VAL 19 CO 0.07 0.44 -0.04 -0.60 0.00 0.00 0.00 175.10 174.97 1i4k s ARG 20 N 1.35 3.12 0.24 2.72 3.52 -0.88 0.05 118.95 129.07 1i4k s ARG 20 Ca 0.01 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1i4k s ARG 20 Cb -0.13 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1i4k s ARG 20 CO -0.08 0.52 0.04 1.28 -0.81 0.00 0.00 175.30 176.26 1i4k n LEU 21 N 2.67 0.00 -4.78 -0.88 4.77 -1.00 -0.90 117.00 116.88 1i4k n LEU 21 Ca -0.18 -1.48 -0.32 0.00 -0.03 0.00 0.00 56.01 54.01 1i4k n LEU 21 Cb 0.53 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1i4k n LEU 21 CO 0.29 -0.25 0.71 -0.54 -1.33 0.00 0.00 177.39 176.27 1i4k s LYS 22 N -2.91 2.56 0.00 3.23 -0.14 -0.83 -3.29 119.74 118.36 1i4k s LYS 22 Ca 0.03 1.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.82 1i4k s LYS 22 Cb -0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.21 1i4k s LYS 22 CO 0.02 -1.41 0.00 0.41 -0.76 0.00 0.00 175.35 173.61 1i4k n GLY 23 N -1.19 2.63 0.00 -3.33 0.00 -1.26 -4.05 105.19 97.99 1i4k n GLY 23 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.85 3.71 -0.02 0.00 -1.21 -5.09 105.19 103.44 1i4k n GLY 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1i4k n GLY 24 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i4k s ARG 25 N -0.65 4.49 0.25 1.61 3.03 -1.26 -4.93 118.95 121.50 1i4k s ARG 25 Ca 0.00 1.22 0.07 0.00 2.03 0.00 0.00 55.73 59.05 1i4k s ARG 25 Cb 0.00 -3.47 -0.04 0.00 -1.03 0.00 0.00 34.95 30.42 1i4k s ARG 25 CO 0.00 -0.05 0.20 -1.21 -1.13 0.00 0.00 175.30 173.12 1i4k s GLU 26 N 1.08 2.93 0.02 3.89 8.01 -1.25 -2.38 118.70 131.00 1i4k s GLU 26 Ca 0.46 -1.05 0.03 0.00 0.01 0.00 0.00 54.97 54.41 1i4k s GLU 26 Cb -0.19 -2.57 -0.01 0.00 -4.31 0.00 0.00 34.13 27.04 1i4k s GLU 26 CO 0.23 0.39 -0.09 -0.06 0.01 0.00 0.00 175.26 175.75 1i4k s PHE 27 N -2.14 0.75 -0.06 1.61 0.40 0.11 -2.08 117.98 116.57 1i4k s PHE 27 Ca 0.33 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1i4k s PHE 27 Cb -0.08 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 43.00 1i4k s PHE 27 CO 0.25 -0.02 -0.14 0.50 0.70 0.00 0.00 175.22 176.51 1i4k s ARG 28 N -0.83 1.74 0.00 0.44 3.52 -0.10 -1.30 118.95 122.42 1i4k s ARG 28 Ca -0.02 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1i4k s ARG 28 Cb -0.06 -1.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1i4k s ARG 28 CO 0.00 0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 1i4k n GLY 29 N 3.62 -1.47 3.68 8.12 0.00 -1.18 -0.73 105.19 117.23 1i4k n GLY 29 Ca -0.21 -1.02 -0.36 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 -2.61 5.30 -0.36 2.61 2.01 0.18 -1.74 115.64 121.03 1i4k s THR 30 Ca 0.00 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1i4k s THR 30 Cb 0.00 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1i4k s THR 30 CO 0.00 0.40 1.65 -0.22 -0.69 0.00 0.00 174.62 175.76 1i4k s LEU 31 N 0.70 3.54 -0.22 4.42 2.96 -1.05 -0.52 118.68 128.51 1i4k s LEU 31 Ca 0.07 1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 55.01 1i4k s LEU 31 Cb -0.12 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 1i4k s LEU 31 CO 0.01 -1.60 -0.03 -0.67 -1.32 0.00 0.00 176.35 172.75 1i4k n ASP 32 N 9.71 1.98 -3.80 3.68 2.03 0.43 -0.92 116.55 129.65 1i4k n ASP 32 Ca 0.20 0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.64 1i4k n ASP 32 Cb 0.47 -0.77 -0.05 0.00 -0.72 0.00 0.00 41.12 40.05 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 -5.60 0.07 0.31 0.27 0.00 -1.18 -4.81 107.32 96.37 1i4k s GLY 33 Ca -0.32 -0.41 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 1i4k s GLY 33 CO 0.60 -0.44 0.86 -2.52 0.00 0.00 0.00 173.10 171.60 1i4k s TYR 34 N -3.90 0.06 0.15 1.90 -0.85 -1.26 -0.99 117.35 112.46 1i4k s TYR 34 Ca 0.11 -0.61 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 1i4k s TYR 34 Cb 0.00 0.78 0.00 0.00 0.38 0.00 0.00 41.96 43.13 1i4k s TYR 34 CO -0.02 -1.32 0.21 -0.40 -1.52 0.00 0.00 175.55 172.50 1i4k n ASP 35 N -1.19 -0.59 -0.22 -0.18 5.68 -1.17 -4.96 116.55 113.91 1i4k n ASP 35 Ca -0.06 -1.80 0.08 0.00 -0.50 0.00 0.00 54.79 52.51 1i4k n ASP 35 Cb 0.60 1.10 0.36 0.00 -1.14 0.00 0.00 41.12 42.04 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 1.43 0.96 0.00 2.12 3.07 -2.02 -1.38 117.51 121.69 1i4k h ILE 36 Ca -0.12 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1i4k h ILE 36 Cb 0.51 0.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 1i4k h ILE 36 CO 0.16 0.14 0.00 1.41 -1.05 0.00 0.00 178.15 178.80 1i4k n HIS 37 N -4.50 0.35 -0.83 0.16 8.25 -1.26 -4.89 115.22 112.50 1i4k n HIS 37 Ca 0.13 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1i4k n HIS 37 Cb 0.31 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -1.81 0.00 -2.28 -0.41 2.81 -0.52 -4.31 117.12 110.60 1i4k n MET 38 Ca 0.04 0.27 -0.40 0.00 -1.81 0.00 0.00 57.70 55.80 1i4k n MET 38 Cb 0.25 -3.05 -0.03 0.00 -0.71 0.00 0.00 33.22 29.69 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 -2.55 6.96 0.36 7.83 0.01 -1.26 -3.31 114.94 122.98 1i4k s ASN 39 Ca 0.00 2.48 0.08 0.00 -0.71 0.00 0.00 52.86 54.71 1i4k s ASN 39 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1i4k s ASN 39 CO 0.00 -0.38 0.07 -0.76 -1.51 0.00 0.00 177.10 174.52 1i4k s LEU 40 N -1.71 3.04 -0.14 0.60 1.43 0.59 -3.03 118.68 119.46 1i4k s LEU 40 Ca 0.48 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1i4k s LEU 40 Cb -0.36 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1i4k s LEU 40 CO 0.47 -0.33 0.08 -0.69 0.23 0.00 0.00 176.35 176.11 1i4k s VAL 41 N -2.54 -0.07 -0.03 -1.59 1.01 -0.16 -1.63 120.40 115.39 1i4k s VAL 41 Ca 0.37 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1i4k s VAL 41 Cb 0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1i4k s VAL 41 CO 0.20 -0.18 -0.14 -0.76 0.00 0.00 0.00 175.10 174.22 1i4k s LEU 42 N 2.14 2.78 0.03 3.92 1.43 -0.31 -0.43 118.68 128.24 1i4k s LEU 42 Ca 0.03 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1i4k s LEU 42 Cb -0.15 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1i4k s LEU 42 CO -0.08 0.33 -0.10 -0.76 0.23 0.00 0.00 176.35 175.96 1i4k s LEU 43 N -0.93 2.99 -1.05 1.79 1.43 0.32 -1.38 118.68 121.86 1i4k s LEU 43 Ca 0.13 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1i4k s LEU 43 Cb -0.11 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1i4k s LEU 43 CO 0.02 0.25 0.72 0.47 0.23 0.00 0.00 176.35 178.04 1i4k n ASP 44 N 1.37 -5.15 -4.53 2.29 9.92 0.93 -0.65 116.55 120.74 1i4k n ASP 44 Ca -0.15 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.79 52.81 1i4k n ASP 44 Cb 0.52 -2.72 -0.11 0.00 -0.64 0.00 0.00 41.12 38.18 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 -3.33 2.81 0.06 2.24 0.00 -0.83 -4.37 121.76 118.33 1i4k s ALA 45 Ca 0.33 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1i4k s ALA 45 Cb -0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1i4k s ALA 45 CO 0.89 0.60 -0.07 -1.83 0.00 0.00 0.00 175.76 175.36 1i4k s GLU 46 N -1.74 0.61 0.02 0.00 -1.05 0.09 -1.59 118.70 115.03 1i4k s GLU 46 Ca 0.18 -0.95 -0.23 0.00 -0.15 0.00 0.00 54.97 53.82 1i4k s GLU 46 Cb -0.11 -0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.34 1i4k s GLU 46 CO 0.09 0.01 0.68 -2.00 0.95 0.00 0.00 175.26 174.99 1i4k s GLU 47 N -2.43 4.41 -0.26 -4.83 2.12 -1.08 -0.93 118.70 115.71 1i4k s GLU 47 Ca -0.03 0.90 -0.03 0.00 0.36 0.00 0.00 54.97 56.18 1i4k s GLU 47 Cb -0.04 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1i4k s GLU 47 CO -0.02 0.33 -0.02 0.42 -0.54 0.00 0.00 175.26 175.43 1i4k s ILE 48 N -0.14 3.19 -0.39 -3.70 1.01 -0.88 -2.09 121.20 118.19 1i4k s ILE 48 Ca 0.35 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1i4k s ILE 48 Cb -0.19 -2.62 0.12 0.00 0.01 0.00 0.00 42.46 39.77 1i4k s ILE 48 CO 0.20 0.17 0.15 -1.10 0.00 0.00 0.00 174.94 174.36 1i4k s GLN 49 N 1.38 1.33 -0.29 2.79 -0.21 -1.13 -3.79 119.66 119.74 1i4k s GLN 49 Ca 0.01 -1.85 -0.04 0.00 0.02 0.00 0.00 55.36 53.49 1i4k s GLN 49 Cb -0.17 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.16 1i4k s GLN 49 CO -0.02 -1.04 0.25 0.27 -2.12 0.00 0.00 175.29 172.62 1i4k n ASN 50 N 3.99 -1.97 0.00 5.90 6.94 -1.26 -3.71 115.26 125.15 1i4k n ASN 50 Ca 0.04 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1i4k n ASN 50 Cb 0.38 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i4k n GLY 51 N -0.72 1.72 3.48 4.83 0.00 -1.26 -5.12 105.19 108.13 1i4k n GLY 51 Ca -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1i4k n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i4k n GLU 52 N 0.00 0.67 -3.36 1.61 2.13 -1.24 -5.14 120.64 115.30 1i4k n GLU 52 Ca 0.00 -1.46 -0.38 0.00 0.66 0.00 0.00 57.16 55.98 1i4k n GLU 52 Cb 0.00 1.94 -0.06 0.00 0.27 0.00 0.00 31.44 33.59 1i4k n GLU 52 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1i4k s VAL 53 N -2.12 5.05 -0.38 6.31 0.11 -1.24 -2.83 120.40 125.31 1i4k s VAL 53 Ca 0.20 0.97 0.09 0.00 -2.93 0.00 0.00 61.98 60.30 1i4k s VAL 53 Cb -0.03 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 30.92 1i4k s VAL 53 CO 0.06 0.45 0.35 1.33 -3.33 0.00 0.00 175.10 173.96 1i4k n VAL 54 N 2.72 0.00 -3.52 2.04 0.24 -0.89 -4.96 118.33 113.96 1i4k n VAL 54 Ca -0.10 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 1i4k n VAL 54 Cb 0.52 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.86 1.16 0.02 7.34 3.52 -1.26 -4.99 118.95 122.88 1i4k s ARG 55 Ca 0.03 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 1i4k s ARG 55 Cb 0.06 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1i4k s ARG 55 CO 0.35 -0.52 -0.07 0.15 -0.81 0.00 0.00 175.30 174.40 1i4k s LYS 56 N -3.51 0.53 -0.20 5.12 1.02 -1.26 -2.62 119.74 118.82 1i4k s LYS 56 Ca 0.04 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 1i4k s LYS 56 Cb -0.02 -0.42 0.06 0.00 -0.52 0.00 0.00 37.83 36.94 1i4k s LYS 56 CO -0.08 0.10 0.48 0.14 -0.92 0.00 0.00 175.35 175.07 1i4k s VAL 57 N -0.76 -0.02 0.44 3.17 -7.23 -0.62 -5.03 120.40 110.35 1i4k s VAL 57 Ca -0.03 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.30 1i4k s VAL 57 Cb -0.06 -0.71 0.28 0.00 0.56 0.00 0.00 36.38 36.45 1i4k s VAL 57 CO 0.00 0.03 2.06 1.23 -0.31 0.00 0.00 175.10 178.11 1i4k h GLY 58 N 7.02 0.47 -4.34 2.32 0.00 -1.93 -2.21 103.07 104.40 1i4k h GLY 58 Ca -0.35 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 46.84 1i4k h GLY 58 CO 0.26 0.15 0.40 -1.35 0.00 0.00 0.00 176.54 175.99 1i4k s SER 59 N -6.66 -0.49 0.04 0.19 1.04 -1.26 -0.05 113.70 106.52 1i4k s SER 59 Ca -0.08 0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.92 1i4k s SER 59 Cb 0.18 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1i4k s SER 59 CO 0.72 -0.43 -0.03 0.68 0.98 0.00 0.00 173.24 175.16 1i4k s VAL 60 N -1.03 0.23 -0.27 5.02 -7.23 -0.48 -4.96 120.40 111.68 1i4k s VAL 60 Ca -0.05 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1i4k s VAL 60 Cb -0.01 -1.13 0.07 0.00 0.56 0.00 0.00 36.38 35.87 1i4k s VAL 60 CO 0.04 -0.82 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.27 1i4k s VAL 61 N -3.10 1.90 -0.17 1.32 1.01 -1.26 -1.17 120.40 118.93 1i4k s VAL 61 Ca 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.28 1i4k s VAL 61 Cb 0.02 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1i4k s VAL 61 CO -0.07 -0.18 0.16 -0.63 0.00 0.00 0.00 175.10 174.38 1i4k s ILE 62 N 1.20 5.41 0.07 2.22 1.01 -0.64 -4.93 121.20 125.53 1i4k s ILE 62 Ca -0.04 0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 1i4k s ILE 62 Cb -0.19 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1i4k s ILE 62 CO -0.07 0.48 1.36 -0.13 0.00 0.00 0.00 174.94 176.58 1i4k s ARG 63 N 0.04 4.33 0.56 2.79 1.81 -1.26 -0.30 118.95 126.91 1i4k s ARG 63 Ca 0.11 1.99 0.27 0.00 -1.72 0.00 0.00 55.73 56.37 1i4k s ARG 63 Cb -0.12 -3.38 1.62 0.00 -0.45 0.00 0.00 34.95 32.63 1i4k s ARG 63 CO 0.00 -0.46 2.18 0.78 -0.68 0.00 0.00 175.30 177.13 1i4k h GLY 64 N 7.34 0.00 0.39 -3.53 0.00 -1.74 -1.22 103.07 104.32 1i4k h GLY 64 Ca -0.41 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.11 1i4k h GLY 64 CO 0.87 0.00 0.63 -1.80 0.00 0.00 0.00 176.54 176.24 1i4k h ASP 65 N 0.00 0.00 -0.02 0.19 1.82 -1.86 0.28 116.42 116.83 1i4k h ASP 65 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1i4k h ASP 65 Cb 0.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1i4k h ASP 65 CO 0.01 0.00 -0.00 0.35 -1.61 0.00 0.00 179.24 177.99 1i4k n THR 66 N -3.71 0.00 -3.10 2.25 -2.24 -0.46 -5.00 114.28 102.02 1i4k n THR 66 Ca 0.13 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 1i4k n THR 66 Cb 0.86 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 70.34 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 -1.22 4.73 -0.26 2.28 1.01 0.98 -1.97 120.40 125.95 1i4k s VAL 67 Ca 0.17 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 1i4k s VAL 67 Cb 0.12 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 1i4k s VAL 67 CO 0.18 0.44 -0.30 0.52 0.00 0.00 0.00 175.10 175.94 1i4k n VAL 68 N 2.42 1.43 -3.47 2.92 0.31 -0.08 -4.95 118.33 116.91 1i4k n VAL 68 Ca -0.06 -0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 63.75 1i4k n VAL 68 Cb 0.50 -1.69 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 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 -2.48 -0.45 -0.06 3.52 -0.12 -1.17 -5.02 117.98 112.19 1i4k s PHE 69 Ca -0.35 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1i4k s PHE 69 Cb 0.12 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 43.09 1i4k s PHE 69 CO 0.50 -0.74 -0.05 0.08 -0.05 0.00 0.00 175.22 174.96 1i4k s VAL 70 N -3.50 0.64 -0.01 -2.49 1.01 -1.26 -2.08 120.40 112.71 1i4k s VAL 70 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1i4k s VAL 70 Cb -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1i4k s VAL 70 CO -0.11 0.26 -0.01 -0.94 0.00 0.00 0.00 175.10 174.31 1i4k s SER 71 N 1.11 0.18 0.02 3.32 1.04 -0.23 -4.95 113.70 114.19 1i4k s SER 71 Ca -0.08 -0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 1i4k s SER 71 Cb -0.14 -0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 1i4k s SER 71 CO -0.01 -0.01 1.72 -2.16 0.98 0.00 0.00 173.24 173.76 1i4k s PRO 72 N 0.21 4.18 0.00 4.02 0.04 -1.26 0.56 135.00 142.75 1i4k s PRO 72 Ca -0.02 2.35 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1i4k s PRO 72 Cb -0.03 -3.85 0.37 0.00 0.04 0.00 0.00 34.50 31.03 1i4k s PRO 72 CO -0.01 -0.82 0.83 0.00 0.04 0.00 0.00 177.00 177.05