#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 -3.17 0.52 -0.02 -1.26 -4.86 135.00 126.46 1i4k n PRO 3 Ca 0.00 0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 1i4k n PRO 3 Cb 0.00 -1.18 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 1i4k n PRO 3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1i4k s ARG 4 N -1.16 4.34 0.35 -0.52 0.52 -1.26 -4.98 118.95 116.24 1i4k s ARG 4 Ca 0.62 0.77 0.04 0.00 -0.52 0.00 0.00 55.73 56.64 1i4k s ARG 4 Cb -0.77 -3.35 0.69 0.00 0.52 0.00 0.00 34.95 32.03 1i4k s ARG 4 CO 0.59 0.33 1.97 -1.35 0.02 0.00 0.00 175.30 176.86 1i4k h PRO 5 N 5.76 0.79 -0.11 3.54 0.11 -2.02 -2.45 132.00 137.61 1i4k h PRO 5 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1i4k h PRO 5 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1i4k h PRO 5 CO 0.70 0.52 -0.28 -0.07 -0.21 0.00 0.00 178.00 178.66 1i4k h LEU 6 N 0.81 0.21 -1.79 2.35 -0.00 -2.00 -1.85 115.31 113.03 1i4k h LEU 6 Ca 0.30 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1i4k h LEU 6 Cb 0.16 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1i4k h LEU 6 CO -0.09 0.50 0.00 0.44 -0.00 0.00 0.00 178.44 179.28 1i4k h ASP 7 N 0.19 0.00 1.60 -0.43 3.32 -1.85 -0.22 116.42 119.03 1i4k h ASP 7 Ca 0.03 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1i4k h ASP 7 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1i4k h ASP 7 CO 0.04 0.00 -0.38 0.58 -1.72 0.00 0.00 179.24 177.77 1i4k h VAL 8 N 0.00 0.65 0.10 -1.35 2.07 -1.39 -1.70 116.25 114.63 1i4k h VAL 8 Ca 0.00 -1.91 -0.23 0.00 0.82 0.00 0.00 66.70 65.39 1i4k h VAL 8 Cb 0.22 2.31 0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1i4k h VAL 8 CO 0.00 0.37 -0.94 -0.07 0.02 0.00 0.00 177.57 176.95 1i4k h LEU 9 N 0.00 0.66 -1.31 2.57 -0.00 -1.13 -3.00 115.31 113.10 1i4k h LEU 9 Ca -0.00 -0.85 0.10 0.00 -0.00 0.00 0.00 57.88 57.13 1i4k h LEU 9 Cb 1.28 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.67 1i4k h LEU 9 CO 0.05 1.44 0.54 -1.13 -0.00 0.00 0.00 178.44 179.34 1i4k h ASN 10 N -0.03 0.68 1.00 -0.43 -0.73 -1.24 0.43 115.58 115.25 1i4k h ASN 10 Ca -0.15 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1i4k h ASN 10 Cb 1.67 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.14 1i4k h ASN 10 CO 0.18 0.39 0.00 -1.14 -0.37 0.00 0.00 177.43 176.50 1i4k n ARG 11 N -4.52 0.03 0.00 6.67 0.63 -0.65 -2.97 116.66 115.85 1i4k n ARG 11 Ca 0.14 0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 1i4k n ARG 11 Cb 0.35 -1.54 0.08 0.00 0.45 0.00 0.00 32.46 31.80 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i4k n SER 12 N -1.59 2.61 -4.65 6.15 7.64 0.15 -4.99 113.62 118.94 1i4k n SER 12 Ca 0.06 -1.81 -0.48 0.00 1.01 0.00 0.00 58.87 57.66 1i4k n SER 12 Cb 0.33 0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.82 2.67 -0.07 -3.43 4.77 -0.90 -2.10 117.00 118.76 1i4k n LEU 13 Ca 0.12 1.10 -0.01 0.00 -0.03 0.00 0.00 56.01 57.19 1i4k n LEU 13 Cb 0.55 -1.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1i4k n LEU 13 CO 0.20 -0.53 -0.01 0.29 -1.33 0.00 0.00 177.39 176.01 1i4k n LYS 14 N 3.05 -0.12 -4.26 3.23 5.02 0.55 -5.02 118.16 120.61 1i4k n LYS 14 Ca 0.17 0.35 -0.21 0.00 -2.02 0.00 0.00 58.31 56.60 1i4k n LYS 14 Cb 0.26 -3.73 -0.12 0.00 -0.02 0.00 0.00 35.03 31.42 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 -2.60 2.25 0.33 4.39 0.01 -0.89 -4.90 113.70 112.29 1i4k s SER 15 Ca 0.00 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 1i4k s SER 15 Cb 0.00 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 1i4k s SER 15 CO 0.00 -0.03 1.42 -2.16 0.41 0.00 0.00 173.24 172.88 1i4k s PRO 16 N -2.17 4.23 0.06 12.44 0.04 -1.26 -2.23 135.00 146.11 1i4k s PRO 16 Ca 0.07 2.39 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1i4k s PRO 16 Cb -0.08 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 1i4k s PRO 16 CO 0.04 -0.39 0.06 0.14 0.04 0.00 0.00 177.00 176.89 1i4k s VAL 17 N -0.81 0.18 -0.14 -0.36 -7.23 0.17 -0.86 120.40 111.35 1i4k s VAL 17 Ca 0.54 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1i4k s VAL 17 Cb -0.43 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1i4k s VAL 17 CO 0.54 -0.83 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.83 1i4k s ILE 18 N -3.72 3.78 -0.16 -0.62 1.01 0.04 -2.38 121.20 119.15 1i4k s ILE 18 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1i4k s ILE 18 Cb 0.06 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.91 1i4k s ILE 18 CO -0.10 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 1i4k s VAL 19 N 0.18 1.81 -0.19 2.92 1.01 0.17 -1.68 120.40 124.63 1i4k s VAL 19 Ca -0.03 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1i4k s VAL 19 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1i4k s VAL 19 CO 0.03 0.50 0.45 -0.60 0.00 0.00 0.00 175.10 175.48 1i4k s ARG 20 N 1.29 4.20 0.43 2.72 6.06 0.02 -0.51 118.95 133.16 1i4k s ARG 20 Ca 0.03 0.31 0.07 0.00 -2.50 0.00 0.00 55.73 53.64 1i4k s ARG 20 Cb -0.13 -3.53 -0.02 0.00 0.06 0.00 0.00 34.95 31.32 1i4k s ARG 20 CO -0.10 -0.05 0.33 -0.51 -2.50 0.00 0.00 175.30 172.47 1i4k s LEU 21 N 1.34 3.23 0.36 -0.88 1.43 -0.14 0.42 118.68 124.44 1i4k s LEU 21 Ca 0.22 -0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 52.16 1i4k s LEU 21 Cb -0.15 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 1i4k s LEU 21 CO 0.09 -0.69 1.10 -0.54 0.23 0.00 0.00 176.35 176.53 1i4k s LYS 22 N -4.10 4.27 0.00 1.70 1.02 0.33 -4.00 119.74 118.96 1i4k s LYS 22 Ca 0.45 1.69 0.00 0.00 0.02 0.00 0.00 55.97 58.12 1i4k s LYS 22 Cb -0.01 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1i4k s LYS 22 CO 0.26 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1i4k n GLY 23 N 0.67 0.86 2.04 -3.33 0.00 -1.26 -4.13 105.19 100.03 1i4k n GLY 23 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.26 0.81 3.86 -0.02 0.00 -1.26 -4.92 105.19 101.39 1i4k n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i4k n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i4k s ARG 25 N -0.25 3.91 0.01 1.61 3.52 -1.26 -2.38 118.95 124.11 1i4k s ARG 25 Ca 0.00 0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 1i4k s ARG 25 Cb 0.00 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1i4k s ARG 25 CO 0.00 0.40 0.17 -2.00 -0.81 0.00 0.00 175.30 173.06 1i4k s GLU 26 N -2.33 0.54 -0.00 5.12 2.12 -0.31 -0.97 118.70 122.86 1i4k s GLU 26 Ca 0.42 -0.42 0.05 0.00 0.36 0.00 0.00 54.97 55.38 1i4k s GLU 26 Cb -0.13 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 1i4k s GLU 26 CO 0.20 -0.14 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.57 1i4k s PHE 27 N -1.60 1.35 -0.09 5.30 0.40 0.33 -0.36 117.98 123.30 1i4k s PHE 27 Ca -0.13 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1i4k s PHE 27 Cb -0.06 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1i4k s PHE 27 CO 0.01 -0.01 -0.15 1.03 0.70 0.00 0.00 175.22 176.79 1i4k s ARG 28 N -0.46 2.17 0.00 0.44 0.52 -0.84 0.45 118.95 121.23 1i4k s ARG 28 Ca 0.05 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1i4k s ARG 28 Cb -0.06 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1i4k s ARG 28 CO -0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.72 1i4k n GLY 29 N 4.01 1.02 3.41 -3.53 0.00 -1.00 -0.44 105.19 108.66 1i4k n GLY 29 Ca -0.20 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.19 3.58 -0.14 2.61 2.01 -0.33 -0.66 115.64 120.52 1i4k s THR 30 Ca 0.00 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1i4k s THR 30 Cb 0.00 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1i4k s THR 30 CO 0.00 0.47 1.23 -0.22 -0.69 0.00 0.00 174.62 175.40 1i4k s LEU 31 N 0.82 4.20 0.00 4.42 2.96 -0.95 -0.44 118.68 129.70 1i4k s LEU 31 Ca -0.02 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 1i4k s LEU 31 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1i4k s LEU 31 CO 0.02 -0.70 0.73 -0.67 -1.32 0.00 0.00 176.35 174.41 1i4k n ASP 32 N 6.18 1.45 0.00 3.68 2.03 -0.42 -0.33 116.55 129.15 1i4k n ASP 32 Ca 0.13 -1.48 0.00 0.00 0.52 0.00 0.00 54.79 53.96 1i4k n ASP 32 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.24 1.01 3.68 0.27 0.00 -1.22 -4.95 105.19 103.74 1i4k n GLY 33 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 0.02 1.61 -0.85 -1.26 -2.06 117.35 112.63 1i4k s TYR 34 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1i4k s TYR 34 Cb 0.00 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.95 1i4k s TYR 34 CO 0.00 -0.71 0.01 -0.40 -1.52 0.00 0.00 175.55 172.94 1i4k n ASP 35 N -0.41 -0.04 -0.04 -0.18 5.68 -1.04 -4.95 116.55 115.56 1i4k n ASP 35 Ca -0.07 -1.10 -0.09 0.00 -0.50 0.00 0.00 54.79 53.02 1i4k n ASP 35 Cb 0.61 0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.65 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 1.05 0.99 0.00 2.12 2.04 -2.03 -1.27 117.51 120.40 1i4k h ILE 36 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1i4k h ILE 36 Cb 0.06 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1i4k h ILE 36 CO 0.02 0.04 0.00 1.41 0.00 0.00 0.00 178.15 179.61 1i4k n HIS 37 N -5.01 0.00 -2.24 1.37 8.25 -1.26 -4.80 115.22 111.52 1i4k n HIS 37 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1i4k n HIS 37 Cb 0.06 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.21 -0.95 -2.50 -0.41 1.56 -0.48 -4.25 117.12 108.88 1i4k n MET 38 Ca 0.06 0.43 -0.39 0.00 -0.27 0.00 0.00 57.70 57.52 1i4k n MET 38 Cb 0.07 -4.39 -0.04 0.00 2.15 0.00 0.00 33.22 31.01 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 -2.64 7.14 0.25 6.12 0.01 -1.26 -3.76 114.94 120.81 1i4k s ASN 39 Ca 0.02 2.21 0.11 0.00 -0.71 0.00 0.00 52.86 54.49 1i4k s ASN 39 Cb -0.01 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1i4k s ASN 39 CO 0.03 -0.23 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.42 1i4k s LEU 40 N -1.74 2.55 -0.07 0.60 1.43 -0.22 -2.51 118.68 118.71 1i4k s LEU 40 Ca 0.48 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1i4k s LEU 40 Cb -0.29 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 44.87 1i4k s LEU 40 CO 0.37 0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 176.24 1i4k s VAL 41 N -2.33 0.76 -0.01 -1.59 1.01 -0.88 0.82 120.40 118.19 1i4k s VAL 41 Ca 0.27 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1i4k s VAL 41 Cb -0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1i4k s VAL 41 CO 0.13 0.29 -0.24 -0.76 0.00 0.00 0.00 175.10 174.52 1i4k s LEU 42 N 1.16 2.05 0.20 3.92 1.43 0.17 -1.30 118.68 126.32 1i4k s LEU 42 Ca -0.07 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1i4k s LEU 42 Cb -0.14 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1i4k s LEU 42 CO -0.01 0.29 0.15 -0.76 0.23 0.00 0.00 176.35 176.25 1i4k s LEU 43 N -0.60 3.77 -0.63 1.79 1.43 0.42 -1.08 118.68 123.78 1i4k s LEU 43 Ca 0.09 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 1i4k s LEU 43 Cb -0.09 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1i4k s LEU 43 CO -0.01 0.03 0.60 -0.67 0.23 0.00 0.00 176.35 176.54 1i4k n ASP 44 N -0.66 -4.87 -4.31 2.29 2.03 0.46 -1.19 116.55 110.30 1i4k n ASP 44 Ca -0.08 -0.59 -0.18 0.00 0.52 0.00 0.00 54.79 54.47 1i4k n ASP 44 Cb 0.56 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i4k s ALA 45 N -2.23 1.84 0.02 -1.67 0.00 -0.17 -4.00 121.76 115.55 1i4k s ALA 45 Ca 0.17 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.61 1i4k s ALA 45 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1i4k s ALA 45 CO 0.85 0.04 -0.19 -1.83 0.00 0.00 0.00 175.76 174.63 1i4k s GLU 46 N -3.54 1.39 -0.26 0.00 -1.05 0.42 -0.98 118.70 114.68 1i4k s GLU 46 Ca 0.20 -0.83 -0.10 0.00 -0.15 0.00 0.00 54.97 54.09 1i4k s GLU 46 Cb -0.01 -1.44 -0.04 0.00 -0.44 0.00 0.00 34.13 32.20 1i4k s GLU 46 CO 0.05 0.38 0.15 -2.00 0.95 0.00 0.00 175.26 174.78 1i4k s GLU 47 N -0.91 3.92 -0.11 -4.83 2.12 0.56 -1.98 118.70 117.46 1i4k s GLU 47 Ca 0.07 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 1i4k s GLU 47 Cb -0.08 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1i4k s GLU 47 CO 0.01 -0.09 0.02 0.42 -0.54 0.00 0.00 175.26 175.08 1i4k s ILE 48 N 1.45 4.48 -0.29 -3.70 1.09 0.52 -0.48 121.20 124.27 1i4k s ILE 48 Ca 0.07 -0.18 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 1i4k s ILE 48 Cb -0.15 -2.92 0.09 0.00 -1.06 0.00 0.00 42.46 38.42 1i4k s ILE 48 CO 0.07 0.58 0.04 -1.58 -0.10 0.00 0.00 174.94 173.95 1i4k s GLN 49 N -0.63 1.12 -1.02 2.79 2.00 0.14 -1.16 119.66 122.90 1i4k s GLN 49 Ca 0.11 -1.18 -0.05 0.00 -2.00 0.00 0.00 55.36 52.24 1i4k s GLN 49 Cb -0.12 -2.44 -0.05 0.00 0.80 0.00 0.00 33.01 31.20 1i4k s GLN 49 CO 0.02 -0.85 0.89 0.09 -0.50 0.00 0.00 175.29 174.94 1i4k n ASN 50 N 4.68 -5.62 0.00 6.67 3.02 -1.00 -2.82 115.26 120.19 1i4k n ASN 50 Ca -0.04 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1i4k n ASN 50 Cb 0.43 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.63 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i4k n GLY 51 N -1.22 0.18 3.13 7.41 0.00 -1.26 -4.98 105.19 108.44 1i4k n GLY 51 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1i4k n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i4k s GLU 52 N -1.30 1.76 0.16 1.61 2.12 -1.13 -5.11 118.70 116.82 1i4k s GLU 52 Ca 0.00 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1i4k s GLU 52 Cb 0.00 -1.53 -0.08 0.00 0.26 0.00 0.00 34.13 32.78 1i4k s GLU 52 CO 0.00 0.24 1.28 0.08 -0.54 0.00 0.00 175.26 176.32 1i4k s VAL 53 N 0.04 3.43 0.00 3.70 1.01 -1.26 0.26 120.40 127.57 1i4k s VAL 53 Ca -0.04 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1i4k s VAL 53 Cb -0.11 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1i4k s VAL 53 CO 0.02 0.15 0.20 1.33 0.00 0.00 0.00 175.10 176.80 1i4k n VAL 54 N 2.96 0.00 0.00 2.92 0.24 0.37 -4.90 118.33 119.93 1i4k n VAL 54 Ca 0.07 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1i4k n VAL 54 Cb 0.44 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1i4k n VAL 54 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1i4k n ARG 55 N -0.46 0.00 -4.99 7.34 0.63 -1.21 -4.96 116.66 113.01 1i4k n ARG 55 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1i4k n ARG 55 Cb 0.02 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.76 1i4k n ARG 55 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1i4k s LYS 56 N -1.69 2.34 0.02 -0.14 1.02 -1.26 -0.33 119.74 119.70 1i4k s LYS 56 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1i4k s LYS 56 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1i4k s LYS 56 CO 0.00 0.20 -0.04 0.14 -0.92 0.00 0.00 175.35 174.72 1i4k s VAL 57 N 0.25 0.26 0.12 3.17 -7.23 -0.16 -5.01 120.40 111.80 1i4k s VAL 57 Ca -0.11 -0.75 0.20 0.00 -1.81 0.00 0.00 61.98 59.51 1i4k s VAL 57 Cb -0.15 -0.34 0.16 0.00 0.56 0.00 0.00 36.38 36.61 1i4k s VAL 57 CO 0.05 -0.32 1.74 1.23 -0.31 0.00 0.00 175.10 177.49 1i4k h GLY 58 N 4.99 0.00 -5.20 2.32 0.00 -1.93 -0.43 103.07 102.82 1i4k h GLY 58 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1i4k h GLY 58 CO 0.43 0.00 -0.14 -1.35 0.00 0.00 0.00 176.54 175.49 1i4k s SER 59 N -6.35 -0.53 -0.04 0.19 1.04 -1.26 -0.41 113.70 106.33 1i4k s SER 59 Ca 0.01 1.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.41 1i4k s SER 59 Cb 0.10 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.25 1i4k s SER 59 CO 0.67 -0.18 0.11 0.54 0.98 0.00 0.00 173.24 175.37 1i4k s VAL 60 N 0.39 -0.00 -0.28 5.02 0.11 -0.24 -4.98 120.40 120.42 1i4k s VAL 60 Ca -0.01 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1i4k s VAL 60 Cb -0.04 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1i4k s VAL 60 CO -0.01 0.01 0.05 -0.69 -3.33 0.00 0.00 175.10 171.13 1i4k s VAL 61 N 0.16 3.85 -0.15 2.04 1.01 -1.26 -0.66 120.40 125.39 1i4k s VAL 61 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1i4k s VAL 61 Cb -0.02 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1i4k s VAL 61 CO -0.00 0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.66 1i4k s ILE 62 N 1.49 4.63 0.02 2.22 1.01 0.24 -4.95 121.20 125.86 1i4k s ILE 62 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1i4k s ILE 62 Cb -0.17 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1i4k s ILE 62 CO 0.01 0.52 1.22 -0.13 0.00 0.00 0.00 174.94 176.57 1i4k s ARG 63 N -0.10 4.39 0.52 2.79 1.81 -1.26 -1.06 118.95 126.04 1i4k s ARG 63 Ca 0.06 1.77 0.23 0.00 -1.72 0.00 0.00 55.73 56.06 1i4k s ARG 63 Cb -0.12 -3.44 1.34 0.00 -0.45 0.00 0.00 34.95 32.28 1i4k s ARG 63 CO 0.01 -0.35 2.02 0.78 -0.68 0.00 0.00 175.30 177.08 1i4k h GLY 64 N 7.41 0.06 0.20 -3.53 0.00 -1.74 -2.40 103.07 103.07 1i4k h GLY 64 Ca -0.39 -0.02 0.22 0.00 0.00 0.00 0.00 47.33 47.14 1i4k h GLY 64 CO 0.84 0.01 0.62 -1.80 0.00 0.00 0.00 176.54 176.21 1i4k h ASP 65 N 0.04 0.40 -0.31 0.19 1.82 -1.88 -0.93 116.42 115.76 1i4k h ASP 65 Ca 0.22 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1i4k h ASP 65 Cb 0.82 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1i4k h ASP 65 CO -0.01 0.15 0.00 0.35 -1.61 0.00 0.00 179.24 178.11 1i4k n THR 66 N -4.52 0.40 -2.94 2.25 -2.24 -0.90 -4.93 114.28 101.39 1i4k n THR 66 Ca 0.21 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1i4k n THR 66 Cb 0.75 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.60 4.96 -0.16 2.28 1.01 -0.36 -0.52 120.40 126.01 1i4k s VAL 67 Ca 0.36 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 1i4k s VAL 67 Cb 0.21 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1i4k s VAL 67 CO 0.30 0.16 -0.13 0.52 0.00 0.00 0.00 175.10 175.95 1i4k n VAL 68 N 4.13 1.45 -3.58 2.92 0.31 0.17 -4.90 118.33 118.83 1i4k n VAL 68 Ca 0.02 0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1i4k n VAL 68 Cb 0.50 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.09 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 -0.31 -0.06 3.52 -0.12 -1.08 -4.99 117.98 112.59 1i4k s PHE 69 Ca -0.20 0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.78 1i4k s PHE 69 Cb 0.04 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1i4k s PHE 69 CO 0.33 -0.71 -0.07 0.08 -0.05 0.00 0.00 175.22 174.79 1i4k s VAL 70 N -3.48 0.79 -0.01 -2.49 1.01 -1.26 -0.80 120.40 114.17 1i4k s VAL 70 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1i4k s VAL 70 Cb 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1i4k s VAL 70 CO -0.10 0.29 -0.00 -0.94 0.00 0.00 0.00 175.10 174.35 1i4k s SER 71 N 0.92 0.13 0.44 3.32 1.04 -0.67 -5.00 113.70 113.87 1i4k s SER 71 Ca -0.11 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.07 1i4k s SER 71 Cb -0.15 -0.04 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 1i4k s SER 71 CO 0.01 -0.03 1.33 -2.16 0.98 0.00 0.00 173.24 173.37 1i4k s PRO 72 N 0.29 3.78 0.00 4.02 0.04 -1.26 -0.78 135.00 141.09 1i4k s PRO 72 Ca -0.02 2.20 0.32 0.00 0.04 0.00 0.00 61.00 63.53 1i4k s PRO 72 Cb -0.04 -2.64 1.84 0.00 0.04 0.00 0.00 34.50 33.70 1i4k s PRO 72 CO -0.01 -0.67 2.19 0.00 0.04 0.00 0.00 177.00 178.56