#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3k s ARG 2 N 0.00 2.31 0.05 0.03 0.52 -1.26 -1.29 118.95 119.31 3n3k s ARG 2 Ca 0.00 -0.92 0.09 0.00 -0.52 0.00 0.00 55.73 54.39 3n3k s ARG 2 Cb 0.00 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 3n3k s ARG 2 CO 0.00 0.48 -0.25 0.96 0.02 0.00 0.00 175.30 176.51 3n3k s ILE 3 N -0.42 2.27 -0.11 1.52 -4.36 -0.09 0.43 121.20 120.43 3n3k s ILE 3 Ca 0.04 -1.39 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 3n3k s ILE 3 Cb -0.12 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 3n3k s ILE 3 CO 0.01 0.33 0.67 -0.69 0.24 0.00 0.00 174.94 175.51 3n3k s VAL 4 N -0.85 5.04 -0.24 8.37 1.01 -0.04 -1.15 120.40 132.54 3n3k s VAL 4 Ca 0.12 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3n3k s VAL 4 Cb -0.10 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3n3k s VAL 4 CO 0.03 0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.56 3n3k s VAL 5 N 1.17 2.70 -0.20 2.92 1.01 0.11 -0.46 120.40 127.65 3n3k s VAL 5 Ca 0.34 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3n3k s VAL 5 Cb -0.17 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3n3k s VAL 5 CO 0.15 0.21 0.25 -0.54 0.00 0.00 0.00 175.10 175.17 3n3k s LYS 6 N 1.30 4.16 0.05 2.72 1.02 0.47 -1.00 119.74 128.45 3n3k s LYS 6 Ca -0.00 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.94 3n3k s LYS 6 Cb -0.17 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 3n3k s LYS 6 CO -0.05 0.12 0.03 -2.37 -0.92 0.00 0.00 175.35 172.16 3n3k n THR 7 N 3.99 0.00 -1.54 2.17 5.66 -0.40 0.16 114.28 124.33 3n3k n THR 7 Ca -0.13 -0.31 -0.44 0.00 -3.05 0.00 0.00 64.05 60.12 3n3k n THR 7 Cb 0.52 0.14 -0.01 0.00 -1.55 0.00 0.00 70.33 69.43 3n3k n THR 7 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3n3k n LEU 8 N 0.00 1.08 0.00 1.09 4.32 -1.25 -2.23 117.00 120.01 3n3k n LEU 8 Ca 0.01 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 3n3k n LEU 8 Cb 0.08 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 3n3k n LEU 8 CO 0.04 -1.91 0.00 0.23 -1.22 0.00 0.00 177.39 174.53 3n3k n MET 9 N 0.69 -0.57 -1.08 3.23 2.81 -1.26 -2.94 117.12 117.99 3n3k n MET 9 Ca 0.11 0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 56.12 3n3k n MET 9 Cb 0.33 -3.60 -0.01 0.00 -0.71 0.00 0.00 33.22 29.23 3n3k n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3k n GLY 10 N -1.71 0.59 3.80 3.03 0.00 -0.95 -5.03 105.19 104.93 3n3k n GLY 10 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 3n3k n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3k s ARG 11 N -2.11 4.21 -0.08 1.61 0.52 -1.15 -4.88 118.95 117.07 3n3k s ARG 11 Ca 0.00 1.28 0.02 0.00 -0.52 0.00 0.00 55.73 56.51 3n3k s ARG 11 Cb 0.00 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 33.13 3n3k s ARG 11 CO 0.00 -0.06 -0.11 0.99 0.02 0.00 0.00 175.30 176.14 3n3k s THR 12 N -1.93 1.10 0.09 0.02 2.01 -1.26 -1.27 115.64 114.41 3n3k s THR 12 Ca 0.60 -0.43 0.09 0.00 0.31 0.00 0.00 61.69 62.25 3n3k s THR 12 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3n3k s THR 12 CO 0.19 0.36 -0.23 0.27 -0.69 0.00 0.00 174.62 174.51 3n3k s ILE 13 N 0.88 1.93 -0.15 1.82 -4.36 -0.17 -4.98 121.20 116.18 3n3k s ILE 13 Ca -0.10 -1.53 -0.05 0.00 -0.26 0.00 0.00 60.65 58.71 3n3k s ILE 13 Cb -0.15 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 3n3k s ILE 13 CO 0.01 0.09 0.02 -0.63 0.24 0.00 0.00 174.94 174.67 3n3k s ILE 14 N -1.02 4.41 -0.07 8.37 1.01 -1.26 0.10 121.20 132.74 3n3k s ILE 14 Ca 0.10 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.60 3n3k s ILE 14 Cb -0.10 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 3n3k s ILE 14 CO 0.04 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.54 3n3k s LEU 15 N -0.01 2.42 -0.33 2.97 1.43 -0.30 -4.97 118.68 119.90 3n3k s LEU 15 Ca 0.04 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 3n3k s LEU 15 Cb -0.13 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3n3k s LEU 15 CO 0.02 0.26 0.76 -1.61 0.23 0.00 0.00 176.35 176.00 3n3k s GLU 16 N -0.23 3.87 0.35 1.70 2.02 -1.26 -0.92 118.70 124.24 3n3k s GLU 16 Ca -0.00 0.43 0.04 0.00 0.02 0.00 0.00 54.97 55.46 3n3k s GLU 16 Cb -0.13 -3.76 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 3n3k s GLU 16 CO 0.03 -0.72 0.13 1.33 0.02 0.00 0.00 175.26 176.05 3n3k n VAL 17 N 5.60 0.00 -4.85 2.63 0.24 -0.41 -5.02 118.33 116.52 3n3k n VAL 17 Ca 0.03 -2.07 -0.26 0.00 -2.04 0.00 0.00 64.34 60.00 3n3k n VAL 17 Cb 0.48 0.74 -0.15 0.00 -1.47 0.00 0.00 33.84 33.45 3n3k n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3n3k s GLU 18 N -3.35 1.54 0.63 7.34 0.41 -1.26 -4.29 118.70 119.72 3n3k s GLU 18 Ca 0.18 -0.82 0.34 0.00 -0.41 0.00 0.00 54.97 54.26 3n3k s GLU 18 Cb 0.01 -1.56 1.87 0.00 -1.78 0.00 0.00 34.13 32.67 3n3k s GLU 18 CO 0.13 0.42 2.14 -1.35 -0.49 0.00 0.00 175.26 176.10 3n3k h PRO 19 N 5.31 0.00 -0.01 0.39 0.11 -1.97 0.72 132.00 136.54 3n3k h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3n3k h PRO 19 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3n3k h PRO 19 CO 0.46 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.03 3n3k n SER 20 N -3.38 1.59 -4.77 -2.05 3.41 -1.26 -2.34 113.62 104.82 3n3k n SER 20 Ca -0.01 -1.40 -0.38 0.00 -0.26 0.00 0.00 58.87 56.82 3n3k n SER 20 Cb 0.26 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3n3k n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3n3k s ASP 21 N -2.16 6.20 0.48 4.04 1.01 0.24 -4.87 116.67 121.61 3n3k s ASP 21 Ca 0.32 2.42 -0.06 0.00 0.71 0.00 0.00 52.55 55.94 3n3k s ASP 21 Cb 0.20 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3n3k s ASP 21 CO 0.39 -0.91 0.78 0.42 0.21 0.00 0.00 175.17 176.07 3n3k s THR 22 N -1.44 4.90 0.39 -1.27 -4.23 -1.26 -2.37 115.64 110.36 3n3k s THR 22 Ca 0.62 0.23 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 3n3k s THR 22 Cb -0.32 -3.86 0.31 0.00 1.34 0.00 0.00 72.50 69.98 3n3k s THR 22 CO 0.39 -0.83 1.95 0.40 -0.54 0.00 0.00 174.62 175.99 3n3k h ILE 23 N 0.29 0.93 -0.43 2.99 5.03 -1.62 0.18 117.51 124.88 3n3k h ILE 23 Ca -0.47 -0.21 0.05 0.00 -0.12 0.00 0.00 64.86 64.11 3n3k h ILE 23 Cb 1.20 0.28 -0.05 0.00 -3.03 0.00 0.00 36.82 35.22 3n3k h ILE 23 CO 0.62 0.11 0.17 -0.33 -0.68 0.00 0.00 178.15 178.04 3n3k h GLU 24 N 0.60 0.34 -0.43 2.37 5.08 -1.86 0.82 114.58 121.49 3n3k h GLU 24 Ca 0.33 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3n3k h GLU 24 Cb 0.47 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3n3k h GLU 24 CO -0.11 0.22 0.26 -0.91 -1.00 0.00 0.00 179.01 177.47 3n3k h ASN 25 N 0.35 0.52 -0.44 1.42 -0.26 -1.40 -2.37 115.58 113.40 3n3k h ASN 25 Ca 0.20 -0.06 0.07 0.00 -0.56 0.00 0.00 56.30 55.95 3n3k h ASN 25 Cb 0.17 -0.13 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 3n3k h ASN 25 CO -0.19 0.43 0.10 0.58 -1.06 0.00 0.00 177.43 177.29 3n3k h VAL 26 N 0.57 0.79 -0.72 2.81 2.07 -0.75 -2.04 116.25 118.98 3n3k h VAL 26 Ca 0.15 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3n3k h VAL 26 Cb 0.00 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3n3k h VAL 26 CO -0.03 0.04 0.47 0.11 0.02 0.00 0.00 177.57 178.18 3n3k h LYS 27 N 0.24 0.96 -0.64 1.57 1.57 -0.58 -1.15 116.57 118.54 3n3k h LYS 27 Ca 0.21 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3n3k h LYS 27 Cb 0.25 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3n3k h LYS 27 CO -0.26 0.64 0.14 0.00 -0.57 0.00 0.00 179.45 179.40 3n3k h ALA 28 N 1.53 0.84 -0.22 3.86 0.00 -0.96 -0.45 119.26 123.86 3n3k h ALA 28 Ca 0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3n3k h ALA 28 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3n3k h ALA 28 CO -0.06 0.57 -0.26 0.87 0.00 0.00 0.00 179.25 180.38 3n3k h LYS 29 N 0.95 0.41 -0.61 0.00 1.57 -0.73 0.16 116.57 118.33 3n3k h LYS 29 Ca 0.20 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3n3k h LYS 29 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3n3k h LYS 29 CO 0.01 0.64 0.06 0.82 -0.57 0.00 0.00 179.45 180.41 3n3k h ILE 30 N 0.37 1.26 -0.48 1.86 2.04 -0.98 -1.85 117.51 119.73 3n3k h ILE 30 Ca 0.05 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 3n3k h ILE 30 Cb 0.65 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3n3k h ILE 30 CO 0.05 0.39 0.07 -0.61 0.00 0.00 0.00 178.15 178.05 3n3k h GLN 31 N 0.95 0.75 0.04 2.37 4.15 -0.27 0.40 115.11 123.50 3n3k h GLN 31 Ca 0.18 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3n3k h GLN 31 Cb 0.46 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3n3k h GLN 31 CO 0.02 0.71 -0.10 -0.44 -1.93 0.00 0.00 178.83 177.08 3n3k h ASP 32 N 0.72 -0.29 0.55 -0.69 3.32 -0.25 -1.07 116.42 118.71 3n3k h ASP 32 Ca 0.15 0.04 -0.29 0.00 0.02 0.00 0.00 57.03 56.95 3n3k h ASP 32 Cb 0.33 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3n3k h ASP 32 CO 0.01 -0.15 -1.43 0.50 -1.72 0.00 0.00 179.24 176.44 3n3k h LYS 33 N -0.20 0.20 0.00 3.56 3.64 -1.16 -3.40 116.57 119.21 3n3k h LYS 33 Ca 0.03 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3n3k h LYS 33 Cb 0.22 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3n3k h LYS 33 CO -0.07 1.07 -0.49 -1.91 -2.27 0.00 0.00 179.45 175.78 3n3k n GLU 34 N -3.42 4.02 -1.19 1.90 4.07 0.14 -5.02 120.64 121.13 3n3k n GLU 34 Ca -0.13 -0.01 -0.07 0.00 -0.06 0.00 0.00 57.16 56.89 3n3k n GLU 34 Cb 1.03 -0.83 -0.03 0.00 -0.06 0.00 0.00 31.44 31.55 3n3k n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3n3k n GLY 35 N 1.41 0.87 3.62 8.31 0.00 -0.41 -4.98 105.19 114.01 3n3k n GLY 35 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3n3k n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n3k s ILE 36 N -2.17 5.26 0.35 -0.61 1.01 -1.26 -5.01 121.20 118.77 3n3k s ILE 36 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 3n3k s ILE 36 Cb 0.00 -3.61 -0.12 0.00 0.01 0.00 0.00 42.46 38.74 3n3k s ILE 36 CO 0.00 0.23 1.29 -2.65 0.00 0.00 0.00 174.94 173.81 3n3k n PRO 37 N 4.95 2.11 -0.04 2.79 -0.02 -1.26 -3.99 135.00 139.55 3n3k n PRO 37 Ca -0.12 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.27 3n3k n PRO 37 Cb 0.51 -2.34 0.59 0.00 -0.02 0.00 0.00 33.50 32.25 3n3k n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3n3k h PRO 38 N 2.50 0.20 0.00 0.52 0.11 -1.97 -2.10 132.00 131.26 3n3k h PRO 38 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3n3k h PRO 38 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3n3k h PRO 38 CO 0.62 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3n3k n ASP 39 N -4.44 0.35 -0.95 -2.05 3.85 -1.26 -2.44 116.55 109.62 3n3k n ASP 39 Ca 0.10 0.56 0.12 0.00 -0.71 0.00 0.00 54.79 54.86 3n3k n ASP 39 Cb 0.48 -0.65 0.20 0.00 -1.35 0.00 0.00 41.12 39.81 3n3k n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3n3k n GLN 40 N -1.86 2.28 -3.63 0.11 6.02 -0.79 -4.91 117.38 114.60 3n3k n GLN 40 Ca 0.04 -1.89 -0.36 0.00 -0.01 0.00 0.00 57.00 54.79 3n3k n GLN 40 Cb 0.28 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 3n3k n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3n3k s GLN 41 N -1.83 4.22 -0.19 -1.09 -0.21 -1.02 -1.83 119.66 117.72 3n3k s GLN 41 Ca 0.33 -0.06 -0.04 0.00 0.02 0.00 0.00 55.36 55.61 3n3k s GLN 41 Cb 0.21 -3.43 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 3n3k s GLN 41 CO 0.31 0.26 -0.03 1.03 -2.12 0.00 0.00 175.29 174.73 3n3k s ARG 42 N 0.45 3.54 -0.08 2.91 0.52 0.61 -4.89 118.95 122.00 3n3k s ARG 42 Ca 0.12 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.76 3n3k s ARG 42 Cb -0.12 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 3n3k s ARG 42 CO 0.01 0.03 -0.05 -0.51 0.02 0.00 0.00 175.30 174.79 3n3k s LEU 43 N 0.92 3.25 -0.05 2.53 1.43 -1.26 -1.01 118.68 124.50 3n3k s LEU 43 Ca -0.00 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3n3k s LEU 43 Cb -0.15 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3n3k s LEU 43 CO 0.01 0.35 -0.09 -0.63 0.23 0.00 0.00 176.35 176.22 3n3k s ILE 44 N -0.73 0.86 0.02 -0.59 1.01 0.17 -0.45 121.20 121.48 3n3k s ILE 44 Ca 0.11 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3n3k s ILE 44 Cb -0.11 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3n3k s ILE 44 CO 0.02 0.29 -0.04 0.12 0.00 0.00 0.00 174.94 175.32 3n3k s PHE 45 N 0.59 0.36 -1.25 3.97 5.36 -0.71 -0.24 117.98 126.07 3n3k s PHE 45 Ca -0.10 -0.38 -0.16 0.00 -0.96 0.00 0.00 56.93 55.33 3n3k s PHE 45 Cb -0.13 -0.23 0.16 0.00 -0.34 0.00 0.00 43.02 42.47 3n3k s PHE 45 CO 0.02 -0.10 0.40 0.00 -1.46 0.00 0.00 175.22 174.08 3n3k n ALA 46 N 1.98 -1.14 0.00 11.12 0.00 -1.26 -0.46 120.51 130.75 3n3k n ALA 46 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3n3k n ALA 46 Cb 0.56 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3n3k n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3k n GLY 47 N -0.88 2.24 3.71 0.00 0.00 -1.26 -5.03 105.19 103.97 3n3k n GLY 47 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3n3k n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3k s LYS 48 N -0.29 2.68 0.03 1.61 1.02 0.39 -5.09 119.74 120.08 3n3k s LYS 48 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 3n3k s LYS 48 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3n3k s LYS 48 CO 0.00 0.56 1.10 -0.65 -0.92 0.00 0.00 175.35 175.44 3n3k s GLN 49 N -2.19 4.49 0.14 1.68 -1.52 -1.26 -1.74 119.66 119.25 3n3k s GLN 49 Ca 0.25 1.60 -0.24 0.00 -1.95 0.00 0.00 55.36 55.03 3n3k s GLN 49 Cb -0.12 -3.41 -0.08 0.00 -0.22 0.00 0.00 33.01 29.19 3n3k s GLN 49 CO 0.18 -0.17 0.71 -0.51 -0.25 0.00 0.00 175.29 175.25 3n3k s LEU 50 N 1.10 4.58 0.02 2.90 1.43 0.40 -4.97 118.68 124.14 3n3k s LEU 50 Ca 0.55 1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3n3k s LEU 50 Cb -0.25 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 3n3k s LEU 50 CO 0.28 0.23 0.12 -1.61 0.23 0.00 0.00 176.35 175.60 3n3k s GLU 51 N -1.13 3.17 0.16 1.70 2.02 -1.26 -4.66 118.70 118.69 3n3k s GLU 51 Ca 0.34 -0.49 -0.31 0.00 0.02 0.00 0.00 54.97 54.53 3n3k s GLU 51 Cb -0.22 -2.91 -0.10 0.00 0.10 0.00 0.00 34.13 31.00 3n3k s GLU 51 CO 0.24 0.63 1.53 -0.51 0.02 0.00 0.00 175.26 177.17 3n3k s ASP 52 N -2.04 6.63 0.00 -0.19 1.01 -1.26 -3.20 116.67 117.62 3n3k s ASP 52 Ca 0.27 2.56 0.00 0.00 0.71 0.00 0.00 52.55 56.10 3n3k s ASP 52 Cb -0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3n3k s ASP 52 CO 0.19 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.39 3n3k n GLY 53 N 3.65 2.95 3.81 0.21 0.00 -1.26 -5.01 105.19 109.54 3n3k n GLY 53 Ca 0.13 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3n3k n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3k s ARG 54 N 0.00 2.75 0.34 1.61 1.81 -1.20 -4.86 118.95 119.40 3n3k s ARG 54 Ca 0.00 1.01 0.09 0.00 -1.72 0.00 0.00 55.73 55.11 3n3k s ARG 54 Cb 0.00 -1.96 -0.05 0.00 -0.45 0.00 0.00 34.95 32.48 3n3k s ARG 54 CO 0.00 -1.25 0.02 0.95 -0.68 0.00 0.00 175.30 174.34 3n3k s THR 55 N -3.01 2.67 0.21 0.02 -4.23 -1.26 -1.90 115.64 108.14 3n3k s THR 55 Ca 0.59 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 3n3k s THR 55 Cb -0.15 -2.81 0.16 0.00 1.34 0.00 0.00 72.50 71.04 3n3k s THR 55 CO 0.55 -0.20 1.74 -0.07 -0.54 0.00 0.00 174.62 176.10 3n3k h LEU 56 N 1.79 0.22 -1.47 4.79 -0.00 -1.54 -0.99 115.31 118.10 3n3k h LEU 56 Ca -0.43 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.48 3n3k h LEU 56 Cb 1.25 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 3n3k h LEU 56 CO 0.66 0.12 -0.26 0.77 -0.00 0.00 0.00 178.44 179.73 3n3k h SER 57 N 0.40 0.00 -0.99 -0.43 4.64 -1.68 -0.75 113.55 114.74 3n3k h SER 57 Ca 0.32 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3n3k h SER 57 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 3n3k h SER 57 CO -0.33 0.26 0.65 0.44 -0.87 0.00 0.00 176.83 176.99 3n3k h ASP 58 N 0.00 1.08 -0.37 4.97 3.32 -1.48 -2.74 116.42 121.20 3n3k h ASP 58 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3n3k h ASP 58 Cb 0.54 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3n3k h ASP 58 CO 0.03 0.73 0.00 -1.22 -1.72 0.00 0.00 179.24 177.07 3n3k n TYR 59 N -4.45 0.48 -3.37 4.55 4.01 -0.76 -4.95 117.16 112.67 3n3k n TYR 59 Ca 0.14 -0.24 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 3n3k n TYR 59 Cb 0.11 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.20 3n3k n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n3k n ASN 60 N 1.06 -5.00 -4.60 7.72 5.15 -0.84 -4.99 115.26 113.76 3n3k n ASN 60 Ca 0.18 -0.46 -0.39 0.00 -0.60 0.00 0.00 54.58 53.31 3n3k n ASN 60 Cb 0.49 -4.29 -0.09 0.00 -0.53 0.00 0.00 39.78 35.36 3n3k n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n3k s ILE 61 N -3.27 5.18 0.35 -1.44 1.01 -0.36 -5.02 121.20 117.64 3n3k s ILE 61 Ca 0.40 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.63 3n3k s ILE 61 Cb -0.18 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3n3k s ILE 61 CO 0.61 0.15 0.33 1.41 0.00 0.00 0.00 174.94 177.44 3n3k n HIS 62 N 5.33 -1.43 -1.71 3.97 8.25 -1.26 -4.46 115.22 123.91 3n3k n HIS 62 Ca -0.09 -1.43 -0.43 0.00 -0.26 0.00 0.00 57.72 55.52 3n3k n HIS 62 Cb 0.51 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 3n3k n HIS 62 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3n3k n ASN 63 N -2.11 3.59 -0.56 0.41 5.15 -1.26 -2.53 115.26 117.96 3n3k n ASN 63 Ca 0.02 1.10 -0.07 0.00 -0.60 0.00 0.00 54.58 55.03 3n3k n ASN 63 Cb 0.39 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.08 3n3k n ASN 63 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3n3k n HIS 64 N 3.04 0.00 -2.22 1.20 8.25 0.17 -4.99 115.22 120.67 3n3k n HIS 64 Ca 0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.25 3n3k n HIS 64 Cb 0.34 -1.73 0.01 0.00 1.12 0.00 0.00 29.99 29.72 3n3k n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3n3k s SER 65 N -2.58 5.67 -0.21 0.41 0.01 -1.05 -4.67 113.70 111.29 3n3k s SER 65 Ca 0.00 2.17 -0.09 0.00 1.31 0.00 0.00 55.95 59.34 3n3k s SER 65 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3n3k s SER 65 CO 0.00 -1.25 0.11 0.00 0.41 0.00 0.00 173.24 172.51 3n3k s ALA 66 N -1.81 3.53 0.13 1.44 0.00 -1.26 -0.86 121.76 122.93 3n3k s ALA 66 Ca 0.72 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.95 3n3k s ALA 66 Cb -0.24 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3n3k s ALA 66 CO 0.28 0.01 -0.06 -0.51 0.00 0.00 0.00 175.76 175.49 3n3k s LEU 67 N 0.66 3.17 -0.10 0.00 1.02 0.39 -4.75 118.68 119.07 3n3k s LEU 67 Ca 0.06 -0.39 -0.02 0.00 0.02 0.00 0.00 54.13 53.80 3n3k s LEU 67 Cb -0.13 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 3n3k s LEU 67 CO 0.01 0.14 -0.00 -0.31 0.02 0.00 0.00 176.35 176.21 3n3k s TYR 68 N -1.44 3.13 -0.26 0.29 2.02 0.67 -0.40 117.35 121.37 3n3k s TYR 68 Ca 0.24 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3n3k s TYR 68 Cb -0.10 -1.84 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3n3k s TYR 68 CO 0.16 0.35 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.23 3n3k s LEU 69 N -0.56 3.36 0.38 -1.29 2.96 0.12 -0.66 118.68 122.99 3n3k s LEU 69 Ca 0.09 -1.21 0.08 0.00 -0.22 0.00 0.00 54.13 52.87 3n3k s LEU 69 Cb -0.12 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 3n3k s LEU 69 CO 0.02 -0.17 0.17 -0.76 -1.32 0.00 0.00 176.35 174.29 3n3k s LEU 70 N 1.19 3.19 0.07 -0.68 2.01 -0.18 -3.85 118.68 120.43 3n3k s LEU 70 Ca -0.05 -0.92 0.08 0.00 0.01 0.00 0.00 54.13 53.25 3n3k s LEU 70 Cb -0.19 -1.61 -0.04 0.00 0.01 0.00 0.00 46.19 44.36 3n3k s LEU 70 CO -0.05 -0.43 -0.17 -0.76 1.01 0.00 0.00 176.35 175.95 3n3k s LEU 71 N -3.89 2.70 0.37 1.79 1.43 -1.26 -0.28 118.68 119.53 3n3k s LEU 71 Ca 0.40 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 3n3k s LEU 71 Cb 0.00 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3n3k s LEU 71 CO 0.23 0.22 1.14 -0.54 0.23 0.00 0.00 176.35 177.63 3n3k s LYS 72 N -1.77 4.24 0.47 1.70 1.02 -0.76 -4.89 119.74 119.75 3n3k s LYS 72 Ca 0.16 1.81 -0.25 0.00 0.02 0.00 0.00 55.97 57.72 3n3k s LYS 72 Cb -0.11 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.32 3n3k s LYS 72 CO 0.08 -0.15 1.40 -0.51 -0.92 0.00 0.00 175.35 175.25 3n3k s LEU 73 N -2.21 4.06 0.00 3.17 1.43 -1.26 -4.98 118.68 118.89 3n3k s LEU 73 Ca 0.53 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.49 3n3k s LEU 73 Cb -0.30 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 41.91 3n3k s LEU 73 CO 0.39 -1.24 0.00 0.54 0.23 0.00 0.00 176.35 176.27