#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v n ASP 2 N 0.00 0.00 -3.64 0.00 10.43 -1.26 -5.13 116.55 116.94 2k3v n ASP 2 Ca 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.34 2k3v n ASP 2 Cb 0.00 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 42.92 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 2k3v s GLU 3 N 0.00 0.06 0.90 -1.24 -1.05 -1.26 -5.08 118.70 111.02 2k3v s GLU 3 Ca 0.00 0.01 -0.10 0.00 -0.15 0.00 0.00 54.97 54.73 2k3v s GLU 3 Cb 0.00 0.03 0.14 0.00 -0.44 0.00 0.00 34.13 33.85 2k3v s GLU 3 CO 0.00 -0.02 1.15 0.95 0.95 0.00 0.00 175.26 178.30 2k3v s THR 4 N -0.99 2.08 0.16 1.83 -4.23 -1.26 -1.76 115.64 111.47 2k3v s THR 4 Ca 0.09 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 2k3v s THR 4 Cb -0.01 -2.10 0.04 0.00 1.34 0.00 0.00 72.50 71.77 2k3v s THR 4 CO -0.08 -0.03 1.71 0.25 -0.54 0.00 0.00 174.62 175.92 2k3v h LEU 5 N -1.75 0.72 -2.00 4.79 5.85 -1.43 -1.25 115.31 120.23 2k3v h LEU 5 Ca -0.43 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.21 2k3v h LEU 5 Cb 1.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2k3v h LEU 5 CO 0.42 0.70 0.25 0.00 -0.34 0.00 0.00 178.44 179.47 2k3v h ALA 6 N 1.05 2.33 0.34 1.25 0.00 -1.85 -1.75 119.26 120.64 2k3v h ALA 6 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k3v h ALA 6 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k3v h ALA 6 CO -0.01 -0.44 -0.17 0.93 0.00 0.00 0.00 179.25 179.57 2k3v h GLU 7 N 0.00 -0.45 -1.23 0.00 4.39 -1.57 -1.77 114.58 113.96 2k3v h GLU 7 Ca 0.17 0.03 0.38 0.00 0.34 0.00 0.00 59.36 60.28 2k3v h GLU 7 Cb 0.67 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 29.31 2k3v h GLU 7 CO -0.00 -0.26 0.80 0.35 -1.16 0.00 0.00 179.01 178.73 2k3v h PHE 8 N -1.11 0.55 -0.01 4.33 3.57 -0.81 1.46 116.94 124.92 2k3v h PHE 8 Ca -0.05 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.24 2k3v h PHE 8 Cb 0.39 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.99 2k3v h PHE 8 CO 0.01 -0.11 -0.96 0.45 -2.23 0.00 0.00 178.31 175.47 2k3v h HIS 9 N 0.18 0.76 0.44 0.41 3.86 -1.36 -3.17 115.15 116.27 2k3v h HIS 9 Ca 0.74 -0.41 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 2k3v h HIS 9 Cb 2.23 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 30.60 2k3v h HIS 9 CO -0.00 1.23 -0.27 0.28 0.86 0.00 0.00 177.93 180.03 2k3v h VAL 10 N 0.30 0.45 -0.01 2.45 2.07 0.29 -0.21 116.25 121.58 2k3v h VAL 10 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k3v h VAL 10 Cb 1.60 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2k3v h VAL 10 CO 0.17 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 178.06 2k3v h GLU 11 N -0.67 0.00 -0.52 1.57 4.57 -1.05 1.61 114.58 120.09 2k3v h GLU 11 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2k3v h GLU 11 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2k3v h GLU 11 CO 0.05 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.55 2k3v n MET 12 N -2.88 4.06 0.00 1.92 2.81 -0.15 -4.89 117.12 117.99 2k3v n MET 12 Ca -0.02 -2.97 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 2k3v n MET 12 Cb 0.42 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 2k3v n MET 12 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3v n GLY 13 N 0.52 -2.19 0.00 3.03 0.00 0.51 -5.03 105.19 102.04 2k3v n GLY 13 Ca 0.25 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2k3v n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3v n GLY 14 N 0.00 -0.98 0.12 -0.02 0.00 0.86 -4.91 105.19 100.26 2k3v n GLY 14 Ca 0.00 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2k3v n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v n GLU 16 N -2.33 1.61 0.19 0.00 1.02 -1.26 -3.09 120.64 116.78 2k3v n GLU 16 Ca 0.04 -0.70 0.07 0.00 -0.02 0.00 0.00 57.16 56.55 2k3v n GLU 16 Cb 0.37 -1.33 0.32 0.00 -0.02 0.00 0.00 31.44 30.79 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2k3v h ASN 17 N 1.04 0.00 0.00 1.62 -1.24 -1.85 -3.31 115.58 111.83 2k3v h ASN 17 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 2k3v h ASN 17 Cb 0.46 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.36 2k3v h ASN 17 CO 0.04 0.33 -0.52 0.00 -1.29 0.00 0.00 177.43 175.99 2k3v s HIS 19 N 0.00 -0.22 -0.39 0.00 3.76 -1.18 -4.86 115.29 112.40 2k3v s HIS 19 Ca 0.10 0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 55.39 2k3v s HIS 19 Cb 0.12 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.81 2k3v s HIS 19 CO -0.05 -0.17 0.58 0.00 -0.85 0.00 0.00 174.74 174.25 2k3v s ALA 20 N 0.95 3.42 -1.78 -1.40 0.00 -1.26 -4.15 121.76 117.54 2k3v s ALA 20 Ca -0.07 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2k3v s ALA 20 Cb -0.09 -3.15 0.16 0.00 0.00 0.00 0.00 23.12 20.04 2k3v s ALA 20 CO -0.05 -1.47 0.42 -3.47 0.00 0.00 0.00 175.76 171.19 2k3v n ASP 21 N 5.98 -1.02 -3.27 0.00 -0.08 -1.26 -0.18 116.55 116.72 2k3v n ASP 21 Ca -0.03 -1.25 -0.15 0.00 -1.51 0.00 0.00 54.79 51.85 2k3v n ASP 21 Cb 0.48 -1.65 0.06 0.00 2.34 0.00 0.00 41.12 42.35 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k3v n GLY 22 N -1.54 -1.16 2.34 0.27 0.00 -1.26 -4.98 105.19 98.85 2k3v n GLY 22 Ca -0.02 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 2k3v n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k3v n GLU 23 N -3.11 1.00 -1.61 1.61 0.00 0.75 -5.10 120.64 114.17 2k3v n GLU 23 Ca -0.06 -3.05 -0.57 0.00 0.00 0.00 0.00 57.16 53.48 2k3v n GLU 23 Cb 0.60 -1.51 -0.08 0.00 0.00 0.00 0.00 31.44 30.45 2k3v n GLU 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2k3v n PRO 24 N 0.26 0.94 -1.15 5.31 -0.04 -1.26 -4.46 135.00 134.60 2k3v n PRO 24 Ca 0.20 0.32 -0.37 0.00 -0.04 0.00 0.00 63.50 63.61 2k3v n PRO 24 Cb 0.68 -2.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.12 2k3v n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k3v n SER 25 N 6.43 -3.26 -2.04 3.54 3.41 -1.26 -4.84 113.62 115.59 2k3v n SER 25 Ca 0.33 0.48 -0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2k3v n SER 25 Cb 0.12 -0.99 0.24 0.00 -0.26 0.00 0.00 64.21 63.32 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2k3v n LYS 26 N 0.69 3.06 0.09 4.33 2.85 -1.26 -4.46 118.16 123.46 2k3v n LYS 26 Ca 0.06 -2.89 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 2k3v n LYS 26 Cb 0.51 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k3v n ASP 27 N -0.48 -0.06 0.00 -5.58 5.75 -1.26 -5.08 116.55 109.84 2k3v n ASP 27 Ca 0.46 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 2k3v n ASP 27 Cb 1.45 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 41.78 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 28 N 1.63 4.09 0.32 6.12 0.00 -1.26 -4.97 105.19 111.12 2k3v n GLY 28 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 2k3v n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v h ALA 29 N 0.00 0.11 -0.73 4.61 0.00 -1.97 0.95 119.26 122.24 2k3v h ALA 29 Ca 0.00 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.26 2k3v h ALA 29 Cb 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 2k3v h ALA 29 CO 0.00 -0.59 0.16 -0.92 0.00 0.00 0.00 179.25 177.90 2k3v h TYR 30 N -0.11 0.25 -0.01 0.00 3.20 -1.98 -1.06 116.97 117.26 2k3v h TYR 30 Ca 0.26 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2k3v h TYR 30 Cb 0.54 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2k3v h TYR 30 CO -0.61 -0.09 -0.01 0.93 -1.64 0.00 0.00 178.16 176.74 2k3v h GLU 31 N 0.26 0.02 -1.10 1.82 5.08 -0.70 -2.99 114.58 116.97 2k3v h GLU 31 Ca 0.41 -0.01 0.32 0.00 -1.00 0.00 0.00 59.36 59.08 2k3v h GLU 31 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2k3v h GLU 31 CO -0.51 0.53 1.00 0.35 -1.00 0.00 0.00 179.01 179.38 2k3v h PHE 32 N -0.49 0.00 -0.51 4.33 3.57 0.19 1.44 116.94 125.46 2k3v h PHE 32 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2k3v h PHE 32 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2k3v h PHE 32 CO 0.10 0.00 -0.16 0.93 -2.23 0.00 0.00 178.31 176.95 2k3v h GLU 33 N 0.00 1.00 -0.94 1.11 4.39 -1.08 -2.77 114.58 116.29 2k3v h GLU 33 Ca 0.52 -0.39 0.19 0.00 0.34 0.00 0.00 59.36 60.02 2k3v h GLU 33 Cb 2.52 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 31.04 2k3v h GLU 33 CO -0.01 1.07 0.60 1.96 -1.16 0.00 0.00 179.01 181.48 2k3v h GLN 34 N 0.88 0.53 -2.00 2.33 1.08 0.19 -0.22 115.11 117.89 2k3v h GLN 34 Ca 0.13 -0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 56.94 2k3v h GLN 34 Cb 0.73 -0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 27.91 2k3v h GLN 34 CO 0.06 0.35 0.03 0.00 -0.95 0.00 0.00 178.83 178.31 2k3v n GLN 36 N 1.63 1.11 0.00 0.00 7.27 -0.10 -4.33 117.38 122.96 2k3v n GLN 36 Ca 0.46 -2.76 0.00 0.00 0.07 0.00 0.00 57.00 54.77 2k3v n GLN 36 Cb 0.72 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 32.38 2k3v n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2k3v n SER 37 N -0.09 0.00 0.14 1.69 2.88 -1.26 -4.72 113.62 112.25 2k3v n SER 37 Ca 0.08 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.73 2k3v n SER 37 Cb 0.79 0.16 0.51 0.00 -0.75 0.00 0.00 64.21 64.92 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3v n HIS 39 N -2.19 0.00 -0.99 0.00 -0.00 -1.26 -5.17 115.22 105.61 2k3v n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k3v n HIS 39 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 2k3v n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k3v n GLY 40 N 4.41 0.35 3.83 -1.41 0.00 -1.26 -5.02 105.19 106.09 2k3v n GLY 40 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3v s SER 41 N -4.00 5.81 0.32 1.61 0.01 -1.26 -4.35 113.70 111.84 2k3v s SER 41 Ca 0.00 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2k3v s SER 41 Cb 0.00 -1.64 0.62 0.00 0.21 0.00 0.00 66.02 65.21 2k3v s SER 41 CO 0.00 0.16 1.90 -0.07 0.41 0.00 0.00 173.24 175.64 2k3v h LEU 42 N 3.13 0.82 -0.33 2.44 3.38 -1.94 0.78 115.31 123.59 2k3v h LEU 42 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k3v h LEU 42 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k3v h LEU 42 CO 0.69 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.72 2k3v n ALA 43 N -2.41 1.34 -0.72 1.53 0.00 -1.26 -0.42 120.51 118.56 2k3v n ALA 43 Ca 0.14 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2k3v n ALA 43 Cb 0.27 -1.19 0.26 0.00 0.00 0.00 0.00 19.45 18.79 2k3v n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3v n GLU 44 N -1.73 3.24 -2.53 0.00 -0.58 0.27 -4.94 120.64 114.36 2k3v n GLU 44 Ca 0.01 -2.69 -0.10 0.00 -0.42 0.00 0.00 57.16 53.97 2k3v n GLU 44 Cb 0.10 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.21 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2k3v n MET 45 N 0.11 1.38 -0.44 3.49 2.81 0.43 -4.83 117.12 120.07 2k3v n MET 45 Ca 0.20 -1.18 -0.17 0.00 -1.81 0.00 0.00 57.70 54.75 2k3v n MET 45 Cb 0.81 0.21 0.16 0.00 -0.71 0.00 0.00 33.22 33.69 2k3v n MET 45 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2k3v n ASP 46 N -1.60 -3.18 -0.22 7.83 5.68 -1.26 -4.57 116.55 119.23 2k3v n ASP 46 Ca -0.03 -0.48 0.03 0.00 -0.50 0.00 0.00 54.79 53.81 2k3v n ASP 46 Cb 0.21 -0.76 0.14 0.00 -1.14 0.00 0.00 41.12 39.57 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2k3v n ASP 47 N -1.95 0.64 -0.11 -1.12 -0.08 -1.26 -2.38 116.55 110.29 2k3v n ASP 47 Ca 0.08 -1.91 -0.13 0.00 -1.51 0.00 0.00 54.79 51.32 2k3v n ASP 47 Cb 0.33 -0.07 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k3v n ASN 48 N -0.20 1.49 0.03 1.67 3.02 -1.26 -4.15 115.26 115.86 2k3v n ASN 48 Ca 0.06 -0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.46 2k3v n ASN 48 Cb 0.11 0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 2k3v n ASN 48 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2k3v h HIS 49 N 0.00 0.02 0.59 3.10 3.86 -1.83 -3.36 115.15 117.53 2k3v h HIS 49 Ca -0.51 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.65 2k3v h HIS 49 Cb 1.94 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.41 2k3v h HIS 49 CO 0.02 1.02 -0.38 -0.22 0.86 0.00 0.00 177.93 179.22 2k3v h LYS 50 N 0.00 -0.88 -0.68 2.45 3.64 -1.40 0.37 116.57 120.07 2k3v h LYS 50 Ca -0.12 0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.58 2k3v h LYS 50 Cb 1.87 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 33.77 2k3v h LYS 50 CO 0.11 -0.59 0.29 -2.30 -2.27 0.00 0.00 179.45 174.70 2k3v n PRO 51 N -4.79 -0.04 0.06 1.90 -0.02 -1.26 0.27 135.00 131.12 2k3v n PRO 51 Ca -0.11 0.96 -0.22 0.00 -2.02 0.00 0.00 63.50 62.10 2k3v n PRO 51 Cb 0.38 -1.68 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 2k3v n PRO 51 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v h HIS 52 N 0.00 0.66 0.00 6.00 3.86 -1.61 -3.46 115.15 120.60 2k3v h HIS 52 Ca 0.55 -0.48 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 2k3v h HIS 52 Cb 1.39 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.81 2k3v h HIS 52 CO -0.08 1.56 0.51 -3.47 0.86 0.00 0.00 177.93 177.32 2k3v n ASP 53 N -3.80 0.11 -0.23 2.45 2.03 0.77 -1.19 116.55 116.69 2k3v n ASP 53 Ca -0.22 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2k3v n ASP 53 Cb 0.99 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3v n GLY 54 N 2.04 0.63 2.07 0.27 0.00 -1.26 -4.90 105.19 104.04 2k3v n GLY 54 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2k3v n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3v n LEU 55 N -0.23 -1.29 -4.28 0.99 4.77 -0.33 -5.14 117.00 111.49 2k3v n LEU 55 Ca 0.00 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 2k3v n LEU 55 Cb 0.10 1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 42.57 2k3v n LEU 55 CO 0.00 -0.27 -0.51 -1.48 -1.33 0.00 0.00 177.39 173.80 2k3v s LEU 56 N -5.63 2.31 0.94 2.23 2.34 -1.26 -5.14 118.68 114.46 2k3v s LEU 56 Ca 0.00 -0.69 -0.13 0.00 0.06 0.00 0.00 54.13 53.37 2k3v s LEU 56 Cb 0.00 -0.85 0.16 0.00 -0.56 0.00 0.00 46.19 44.94 2k3v s LEU 56 CO 0.00 0.04 1.14 -0.04 -1.06 0.00 0.00 176.35 176.43 2k3v s MET 57 N -1.96 0.89 0.00 1.48 -1.94 -1.26 -4.87 119.30 111.66 2k3v s MET 57 Ca 0.06 0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 54.29 2k3v s MET 57 Cb -0.10 -1.81 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 2k3v s MET 57 CO 0.04 -2.36 0.97 0.00 -0.01 0.00 0.00 175.02 173.66 2k3v n ALA 59 N -2.05 -0.04 -0.54 0.00 0.00 -1.26 0.27 120.51 116.88 2k3v n ALA 59 Ca -0.01 0.99 0.42 0.00 0.00 0.00 0.00 53.44 54.83 2k3v n ALA 59 Cb 0.04 -0.48 0.66 0.00 0.00 0.00 0.00 19.45 19.67 2k3v n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3v n ASP 60 N -5.46 0.05 -0.09 0.00 9.92 -1.17 0.39 116.55 120.19 2k3v n ASP 60 Ca 0.11 0.94 -0.20 0.00 -0.53 0.00 0.00 54.79 55.12 2k3v n ASP 60 Cb 0.41 -0.47 -0.07 0.00 -0.64 0.00 0.00 41.12 40.35 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3v n HIS 62 N -3.82 2.24 -1.38 0.00 8.25 0.48 -4.80 115.22 116.20 2k3v n HIS 62 Ca -0.36 -2.56 -0.32 0.00 -0.26 0.00 0.00 57.72 54.22 2k3v n HIS 62 Cb 0.76 -1.74 -0.16 0.00 1.12 0.00 0.00 29.99 29.97 2k3v n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k3v n ALA 63 N 1.61 0.52 0.30 -1.41 0.00 0.16 -4.34 120.51 117.36 2k3v n ALA 63 Ca 0.59 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 2k3v n ALA 63 Cb 0.35 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 2k3v n ALA 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3v h PRO 64 N 10.73 -0.75 -2.51 0.00 0.11 -1.86 1.48 132.00 139.21 2k3v h PRO 64 Ca -0.02 0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.64 2k3v h PRO 64 Cb 1.15 0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 2k3v h PRO 64 CO 1.35 -0.44 1.87 0.72 -0.21 0.00 0.00 178.00 181.29 2k3v n HIS 65 N -5.34 1.55 0.00 0.65 8.25 -1.26 -3.15 115.22 115.92 2k3v n HIS 65 Ca -0.12 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 54.94 2k3v n HIS 65 Cb 0.34 -1.99 0.00 0.00 1.12 0.00 0.00 29.99 29.47 2k3v n HIS 65 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2k3v n GLU 66 N 2.67 0.00 -0.78 -0.41 2.13 -1.20 -5.12 120.64 117.93 2k3v n GLU 66 Ca 0.61 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 58.13 2k3v n GLU 66 Cb 0.50 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.37 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3v s ALA 67 N 0.00 1.49 -0.06 4.31 0.00 0.51 -4.89 121.76 123.11 2k3v s ALA 67 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.49 2k3v s ALA 67 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2k3v s ALA 67 CO 0.00 -2.67 -0.16 0.15 0.00 0.00 0.00 175.76 173.08 2k3v s LYS 68 N -4.68 1.96 0.05 0.00 1.02 -1.26 -2.47 119.74 114.35 2k3v s LYS 68 Ca 0.66 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 2k3v s LYS 68 Cb -0.22 -1.62 -0.16 0.00 -0.52 0.00 0.00 37.83 35.31 2k3v s LYS 68 CO 0.58 0.15 0.76 0.28 -0.92 0.00 0.00 175.35 176.19 2k3v n VAL 69 N 3.48 0.50 -1.85 3.17 0.31 -0.72 -2.15 118.33 121.07 2k3v n VAL 69 Ca -0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2k3v n VAL 69 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2k3v n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3v n GLY 70 N 1.38 0.90 2.62 2.92 0.00 -1.26 -4.84 105.19 106.91 2k3v n GLY 70 Ca 0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2k3v n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3v s GLU 71 N -3.75 0.44 -0.32 1.61 -6.30 -0.91 -5.10 118.70 104.37 2k3v s GLU 71 Ca 0.00 -0.82 -0.29 0.00 -2.50 0.00 0.00 54.97 51.36 2k3v s GLU 71 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 34.13 32.61 2k3v s GLU 71 CO 0.00 -1.02 1.15 -1.59 0.02 0.00 0.00 175.26 173.82 2k3v s LYS 72 N 1.82 4.01 0.76 4.30 -2.85 -1.26 -4.87 119.74 121.66 2k3v s LYS 72 Ca 0.10 1.11 -0.16 0.00 -1.00 0.00 0.00 55.97 56.02 2k3v s LYS 72 Cb -0.17 -3.79 -0.08 0.00 -2.06 0.00 0.00 37.83 31.73 2k3v s LYS 72 CO -0.30 -0.98 0.03 -2.30 0.10 0.00 0.00 175.35 171.90 2k3v n PRO 73 N 7.04 0.09 -4.04 1.78 -0.02 -1.26 -4.95 135.00 133.65 2k3v n PRO 73 Ca 0.13 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 2k3v n PRO 73 Cb 0.47 -1.43 -0.11 0.00 -0.02 0.00 0.00 33.50 32.41 2k3v n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2k3v s THR 74 N -2.00 4.36 0.60 3.45 -4.23 -1.26 -4.96 115.64 111.60 2k3v s THR 74 Ca 0.56 -0.18 0.31 0.00 -1.18 0.00 0.00 61.69 61.20 2k3v s THR 74 Cb -0.33 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 70.90 2k3v s THR 74 CO 0.67 0.43 2.19 0.00 -0.54 0.00 0.00 174.62 177.37 2k3v n ASP 76 N -3.73 0.00 -0.87 0.00 9.92 -1.22 0.22 116.55 120.87 2k3v n ASP 76 Ca -0.01 0.41 0.05 0.00 -0.53 0.00 0.00 54.79 54.71 2k3v n ASP 76 Cb 0.20 -0.45 0.17 0.00 -0.64 0.00 0.00 41.12 40.40 2k3v n ASP 76 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2k3v n THR 77 N -1.45 0.82 0.12 -3.53 -1.04 0.25 -4.52 114.28 104.93 2k3v n THR 77 Ca 0.03 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2k3v n THR 77 Cb 0.11 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2k3v n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k3v s HIS 79 N -2.00 3.76 -0.28 0.00 3.76 0.59 -4.98 115.29 116.15 2k3v s HIS 79 Ca 0.00 1.20 0.15 0.00 -0.15 0.00 0.00 55.06 56.25 2k3v s HIS 79 Cb 0.00 -2.48 0.48 0.00 1.11 0.00 0.00 32.58 31.69 2k3v s HIS 79 CO 0.00 0.54 1.15 -0.25 -0.85 0.00 0.00 174.74 175.33 2k3v n ASP 80 N 1.98 3.32 -0.40 1.40 9.92 -1.26 -3.43 116.55 128.08 2k3v n ASP 80 Ca -0.10 -2.92 0.07 0.00 -0.53 0.00 0.00 54.79 51.31 2k3v n ASP 80 Cb 0.51 -0.41 0.18 0.00 -0.64 0.00 0.00 41.12 40.77 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2k3v n ASP 81 N -0.66 1.94 0.00 -2.24 5.68 -1.26 -4.91 116.55 115.10 2k3v n ASP 81 Ca 0.26 -3.58 0.00 0.00 -0.50 0.00 0.00 54.79 50.97 2k3v n ASP 81 Cb 0.89 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 82 N -1.23 2.23 2.72 6.12 0.00 -1.26 -4.95 105.19 108.82 2k3v n GLY 82 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 2k3v n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3v n ARG 83 N -2.00 0.00 -4.36 1.61 3.00 -1.26 -4.93 116.66 108.72 2k3v n ARG 83 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2k3v n ARG 83 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 32.46 31.22 2k3v n ARG 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k3v s THR 84 N 0.86 1.94 0.45 5.15 -4.23 -1.26 -4.57 115.64 113.97 2k3v s THR 84 Ca 0.73 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 2k3v s THR 84 Cb -1.03 -1.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 2k3v s THR 84 CO 0.50 -0.36 0.99 0.00 -0.54 0.00 0.00 174.62 175.21 2k3v s ALA 85 N -2.24 2.98 -1.70 3.99 0.00 -1.26 -5.04 121.76 118.50 2k3v s ALA 85 Ca 0.19 0.50 0.14 0.00 0.00 0.00 0.00 51.96 52.79 2k3v s ALA 85 Cb -0.05 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 19.98 2k3v s ALA 85 CO 0.08 -0.06 0.93 1.17 0.00 0.00 0.00 175.76 177.88