#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v s ASP 2 N 0.00 2.28 0.37 0.00 -0.00 -1.26 -5.12 116.67 112.95 2k3v s ASP 2 Ca 0.00 -0.56 -0.27 0.00 -0.00 0.00 0.00 52.55 51.71 2k3v s ASP 2 Cb 0.00 -0.16 -0.10 0.00 -0.00 0.00 0.00 42.92 42.67 2k3v s ASP 2 CO 0.00 0.09 1.32 -1.83 -0.00 0.00 0.00 175.17 174.75 2k3v s GLU 3 N -1.42 4.13 1.01 8.23 -1.05 -1.26 -4.79 118.70 123.55 2k3v s GLU 3 Ca 0.05 2.21 -0.13 0.00 -0.15 0.00 0.00 54.97 56.96 2k3v s GLU 3 Cb -0.09 -2.89 0.13 0.00 -0.44 0.00 0.00 34.13 30.84 2k3v s GLU 3 CO 0.02 -0.38 0.73 0.25 0.95 0.00 0.00 175.26 176.83 2k3v n THR 4 N 0.41 0.00 -0.07 1.83 -2.24 -1.26 -2.05 114.28 110.90 2k3v n THR 4 Ca 0.02 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2k3v n THR 4 Cb 0.42 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 2k3v n THR 4 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3v h LEU 5 N -1.97 0.59 -1.84 3.22 5.85 -1.60 -1.52 115.31 118.04 2k3v h LEU 5 Ca -0.48 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 57.78 2k3v h LEU 5 Cb 1.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2k3v h LEU 5 CO 0.40 0.96 0.18 0.00 -0.34 0.00 0.00 178.44 179.64 2k3v h ALA 6 N 0.65 1.99 -0.05 1.25 0.00 -1.89 -1.02 119.26 120.18 2k3v h ALA 6 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k3v h ALA 6 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k3v h ALA 6 CO 0.06 -0.03 -0.16 1.49 0.00 0.00 0.00 179.25 180.61 2k3v h GLU 7 N 0.21 0.20 -0.44 0.00 4.81 -1.80 -2.12 114.58 115.43 2k3v h GLU 7 Ca 0.11 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2k3v h GLU 7 Cb 0.19 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2k3v h GLU 7 CO -0.02 0.76 0.30 0.35 -0.73 0.00 0.00 179.01 179.68 2k3v h PHE 8 N -0.33 0.27 0.00 0.92 3.57 -0.43 0.38 116.94 121.31 2k3v h PHE 8 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k3v h PHE 8 Cb 0.78 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2k3v h PHE 8 CO 0.13 0.14 -0.05 0.45 -2.23 0.00 0.00 178.31 176.75 2k3v h HIS 9 N 0.26 0.00 0.05 0.41 3.86 -1.17 -3.24 115.15 115.32 2k3v h HIS 9 Ca 0.20 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2k3v h HIS 9 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2k3v h HIS 9 CO -0.00 0.01 -0.02 0.28 0.86 0.00 0.00 177.93 179.05 2k3v h VAL 10 N 0.00 1.22 -0.80 2.45 2.07 0.38 -3.01 116.25 118.56 2k3v h VAL 10 Ca -0.00 -1.66 0.23 0.00 0.82 0.00 0.00 66.70 66.09 2k3v h VAL 10 Cb 1.00 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 2k3v h VAL 10 CO 0.00 0.37 0.66 -0.08 0.02 0.00 0.00 177.57 178.55 2k3v h GLU 11 N -0.89 0.00 -0.64 1.57 4.81 -1.15 1.89 114.58 120.17 2k3v h GLU 11 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k3v h GLU 11 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k3v h GLU 11 CO 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 2k3v n MET 12 N -3.99 4.03 0.00 1.92 0.00 -1.21 -4.89 117.12 112.98 2k3v n MET 12 Ca 0.16 -2.80 0.00 0.00 0.00 0.00 0.00 57.70 55.06 2k3v n MET 12 Cb 0.95 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 32.15 2k3v n MET 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k3v n GLY 13 N 0.89 -2.13 0.00 3.17 0.00 0.62 -5.04 105.19 102.70 2k3v n GLY 13 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -0.88 0.15 -0.02 0.00 -0.02 -4.92 105.19 99.50 2k3v n GLY 14 Ca 0.00 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.54 1.61 0.18 0.00 4.71 -1.26 -3.03 120.64 120.31 2k3v n GLU 16 Ca 0.04 -0.67 0.05 0.00 -0.01 0.00 0.00 57.16 56.57 2k3v n GLU 16 Cb 0.40 -1.36 0.28 0.00 -1.01 0.00 0.00 31.44 29.76 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2k3v h ASN 17 N 0.99 0.00 0.00 1.62 -1.24 -1.83 -3.32 115.58 111.80 2k3v h ASN 17 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2k3v h ASN 17 Cb 0.48 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.43 2k3v h ASN 17 CO 0.05 0.41 -0.47 0.00 -1.29 0.00 0.00 177.43 176.12 2k3v s HIS 19 N 0.00 -0.05 -0.30 0.00 3.76 -1.17 -4.84 115.29 112.69 2k3v s HIS 19 Ca 0.07 0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 55.05 2k3v s HIS 19 Cb 0.08 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 2k3v s HIS 19 CO -0.04 -0.11 0.57 0.00 -0.85 0.00 0.00 174.74 174.32 2k3v s ALA 20 N 0.97 3.54 -1.70 -1.40 0.00 -1.26 -4.16 121.76 117.74 2k3v s ALA 20 Ca -0.08 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 2k3v s ALA 20 Cb -0.11 -3.02 0.21 0.00 0.00 0.00 0.00 23.12 20.20 2k3v s ALA 20 CO -0.04 -1.00 0.57 -0.25 0.00 0.00 0.00 175.76 175.04 2k3v n ASP 21 N 5.75 -1.95 -3.30 0.00 8.00 -1.26 0.00 116.55 123.79 2k3v n ASP 21 Ca -0.03 -1.06 -0.16 0.00 0.71 0.00 0.00 54.79 54.25 2k3v n ASP 21 Cb 0.49 -1.70 0.06 0.00 -0.02 0.00 0.00 41.12 39.95 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3v n GLY 22 N -1.05 -1.15 2.31 0.44 0.00 -1.26 -4.99 105.19 99.49 2k3v n GLY 22 Ca 0.10 0.56 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.20 0.79 -1.68 1.61 2.13 0.10 -5.11 120.64 115.28 2k3v n GLU 23 Ca -0.07 -2.95 -0.64 0.00 0.66 0.00 0.00 57.16 54.16 2k3v n GLU 23 Cb 0.60 -1.35 -0.09 0.00 0.27 0.00 0.00 31.44 30.88 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2k3v n PRO 24 N 1.15 0.17 -0.82 5.31 -0.02 -1.26 -4.44 135.00 135.09 2k3v n PRO 24 Ca 0.19 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 2k3v n PRO 24 Cb 0.58 -1.59 0.11 0.00 -0.02 0.00 0.00 33.50 32.58 2k3v n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v n SER 25 N 3.53 -2.90 -1.76 2.55 2.88 -1.26 -4.91 113.62 111.74 2k3v n SER 25 Ca 0.28 0.20 -0.19 0.00 -1.33 0.00 0.00 58.87 57.83 2k3v n SER 25 Cb 0.00 -1.05 0.09 0.00 -0.75 0.00 0.00 64.21 62.51 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k3v n LYS 26 N -0.81 2.84 0.14 -1.46 2.85 -1.26 -4.68 118.16 115.78 2k3v n LYS 26 Ca 0.04 -3.69 0.00 0.00 -1.05 0.00 0.00 58.31 53.60 2k3v n LYS 26 Cb 0.57 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 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 -0.89 -1.46 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.04 2k3v n ASP 27 Ca 0.43 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.73 2k3v n ASP 27 Cb 0.91 1.51 0.00 0.00 -1.03 0.00 0.00 41.12 42.51 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 0.27 3.01 0.36 6.12 0.00 -1.26 -4.94 105.19 108.75 2k3v n GLY 28 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 1.59 -0.57 4.61 0.00 -1.98 0.67 119.26 123.57 2k3v h ALA 29 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2k3v h ALA 29 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2k3v h ALA 29 CO 0.00 0.15 0.32 -0.92 0.00 0.00 0.00 179.25 178.80 2k3v h TYR 30 N 0.92 0.59 -0.07 0.00 3.20 -1.99 -2.38 116.97 117.24 2k3v h TYR 30 Ca 0.50 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.37 2k3v h TYR 30 Cb 0.57 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2k3v h TYR 30 CO -0.00 0.30 -0.02 0.93 -1.64 0.00 0.00 178.16 177.73 2k3v h GLU 31 N 0.61 0.14 -0.96 1.82 5.08 -1.35 -2.75 114.58 117.17 2k3v h GLU 31 Ca 0.25 -0.05 0.28 0.00 -1.00 0.00 0.00 59.36 58.83 2k3v h GLU 31 Cb 0.11 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2k3v h GLU 31 CO -0.14 0.47 0.89 0.35 -1.00 0.00 0.00 179.01 179.58 2k3v h PHE 32 N -0.19 0.00 -0.32 4.33 3.57 -0.58 1.06 116.94 124.81 2k3v h PHE 32 Ca 0.02 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 2k3v h PHE 32 Cb 0.41 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2k3v h PHE 32 CO 0.05 0.00 -0.38 0.93 -2.23 0.00 0.00 178.31 176.68 2k3v h GLU 33 N 0.00 0.82 -0.69 1.11 5.08 -1.12 -2.95 114.58 116.82 2k3v h GLU 33 Ca 0.46 -0.46 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2k3v h GLU 33 Cb 2.24 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.47 2k3v h GLU 33 CO -0.00 1.09 0.46 1.96 -1.00 0.00 0.00 179.01 181.52 2k3v h GLN 34 N 0.60 0.53 -1.90 2.33 1.08 0.11 -0.96 115.11 116.90 2k3v h GLN 34 Ca 0.04 -0.03 -0.38 0.00 -1.45 0.00 0.00 58.65 56.83 2k3v h GLN 34 Cb 0.98 -0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 28.14 2k3v h GLN 34 CO 0.09 0.35 0.23 0.00 -0.95 0.00 0.00 178.83 178.55 2k3v n GLN 36 N 1.10 0.93 0.00 0.00 6.02 -0.37 -4.34 117.38 120.72 2k3v n GLN 36 Ca 0.42 -2.82 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 2k3v n GLN 36 Cb 0.63 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2k3v n GLN 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k3v n SER 37 N 0.60 0.00 0.01 1.08 7.64 -1.26 -4.79 113.62 116.90 2k3v n SER 37 Ca 0.18 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.13 2k3v n SER 37 Cb 0.65 0.26 0.30 0.00 -1.01 0.00 0.00 64.21 64.40 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3v n HIS 39 N -1.57 0.00 0.00 0.00 -0.00 -1.26 -5.17 115.22 107.21 2k3v n HIS 39 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2k3v n HIS 39 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 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 4.73 -0.10 3.55 -1.41 0.00 -1.26 -5.03 105.19 105.66 2k3v n GLY 40 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3v s SER 41 N -4.00 4.18 0.55 1.61 0.15 -1.26 -4.27 113.70 110.66 2k3v s SER 41 Ca 0.00 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.34 2k3v s SER 41 Cb 0.00 -0.69 1.51 0.00 -1.71 0.00 0.00 66.02 65.12 2k3v s SER 41 CO 0.00 0.14 2.15 -0.07 1.20 0.00 0.00 173.24 176.65 2k3v h LEU 42 N 3.25 0.00 0.00 3.45 3.38 -1.94 0.79 115.31 124.24 2k3v h LEU 42 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3v h LEU 42 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k3v h LEU 42 CO 0.52 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.05 2k3v n ALA 43 N -2.46 2.33 -1.52 1.53 0.00 -1.26 -2.32 120.51 116.81 2k3v n ALA 43 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.37 2k3v n ALA 43 Cb 0.20 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.42 2k3v n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3v n GLU 44 N -1.13 1.29 -2.68 0.00 2.13 0.27 -4.98 120.64 115.55 2k3v n GLU 44 Ca 0.15 -2.87 -0.08 0.00 0.66 0.00 0.00 57.16 55.02 2k3v n GLU 44 Cb 0.13 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.42 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k3v n MET 45 N -1.05 1.59 -0.48 5.31 2.81 -0.98 -4.79 117.12 119.54 2k3v n MET 45 Ca 0.16 -0.94 -0.18 0.00 -1.81 0.00 0.00 57.70 54.94 2k3v n MET 45 Cb 0.71 0.28 0.16 0.00 -0.71 0.00 0.00 33.22 33.66 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 -1.18 -3.17 -0.21 7.83 3.85 -1.26 -4.56 116.55 117.85 2k3v n ASP 46 Ca -0.05 -0.46 0.05 0.00 -0.71 0.00 0.00 54.79 53.61 2k3v n ASP 46 Cb 0.16 -0.78 0.20 0.00 -1.35 0.00 0.00 41.12 39.35 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2k3v n ASP 47 N -1.78 0.61 -0.09 -1.12 2.03 -1.26 -2.36 116.55 112.57 2k3v n ASP 47 Ca 0.07 -1.83 -0.10 0.00 0.52 0.00 0.00 54.79 53.45 2k3v n ASP 47 Cb 0.35 -0.06 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k3v n ASN 48 N -0.24 0.92 0.04 1.67 3.02 -1.26 -4.24 115.26 115.17 2k3v n ASN 48 Ca 0.08 -0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 2k3v n ASN 48 Cb 0.12 0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.42 0.03 3.10 3.86 -1.82 -3.37 115.15 117.37 2k3v h HIS 49 Ca -0.48 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 2k3v h HIS 49 Cb 2.03 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.48 2k3v h HIS 49 CO 0.00 1.42 -0.10 0.87 0.86 0.00 0.00 177.93 180.99 2k3v h LYS 50 N 0.06 -0.14 -0.51 2.45 1.57 -1.19 0.38 116.57 119.18 2k3v h LYS 50 Ca -0.28 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2k3v h LYS 50 Cb 2.02 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 34.27 2k3v h LYS 50 CO 0.14 -0.10 -0.02 -2.30 -0.57 0.00 0.00 179.45 176.61 2k3v n PRO 51 N -2.99 -0.04 -0.04 3.15 -0.02 -1.26 0.26 135.00 134.06 2k3v n PRO 51 Ca -0.02 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 2k3v n PRO 51 Cb 0.08 -1.22 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.06 0.00 6.00 3.86 -1.56 -3.46 115.15 120.05 2k3v h HIS 52 Ca 0.30 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2k3v h HIS 52 Cb 0.59 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k3v h HIS 52 CO -0.29 0.76 0.00 -3.47 0.86 0.00 0.00 177.93 175.79 2k3v n ASP 53 N -4.69 0.00 -0.54 2.45 4.64 0.71 -1.57 116.55 117.55 2k3v n ASP 53 Ca -0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 2k3v n ASP 53 Cb 0.38 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.46 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2k3v n GLY 54 N 0.00 0.59 2.08 0.27 0.00 -1.26 -4.94 105.19 101.92 2k3v n GLY 54 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.54 -1.36 -4.28 0.99 4.77 -0.61 -5.14 117.00 110.83 2k3v n LEU 55 Ca 0.00 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.08 2k3v n LEU 55 Cb 0.24 1.53 -0.12 0.00 -2.33 0.00 0.00 43.42 42.74 2k3v n LEU 55 CO 0.00 -0.27 -0.49 -1.48 -1.33 0.00 0.00 177.39 173.82 2k3v s LEU 56 N -5.74 2.34 0.90 2.23 2.34 -1.26 -5.15 118.68 114.35 2k3v s LEU 56 Ca 0.00 -0.74 -0.12 0.00 0.06 0.00 0.00 54.13 53.33 2k3v s LEU 56 Cb 0.00 -0.79 0.13 0.00 -0.56 0.00 0.00 46.19 44.97 2k3v s LEU 56 CO 0.00 -0.00 1.14 -0.32 -1.06 0.00 0.00 176.35 176.10 2k3v s MET 57 N -2.21 1.22 0.00 1.48 1.75 -1.26 -4.86 119.30 115.42 2k3v s MET 57 Ca 0.08 0.30 -0.00 0.00 -1.25 0.00 0.00 55.69 54.82 2k3v s MET 57 Cb -0.08 -1.85 -0.00 0.00 2.84 0.00 0.00 34.83 35.74 2k3v s MET 57 CO 0.04 -2.15 0.94 0.00 -0.65 0.00 0.00 175.02 173.20 2k3v n ALA 59 N -2.00 0.09 -0.57 0.00 0.00 -1.26 0.29 120.51 117.05 2k3v n ALA 59 Ca -0.00 0.98 0.44 0.00 0.00 0.00 0.00 53.44 54.86 2k3v n ALA 59 Cb 0.00 -0.53 0.68 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.08 0.00 9.92 -1.16 0.57 116.55 120.38 2k3v n ASP 60 Ca 0.13 0.95 -0.18 0.00 -0.53 0.00 0.00 54.79 55.16 2k3v n ASP 60 Cb 0.43 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 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 -3.77 2.04 -1.41 0.00 8.25 0.36 -4.82 115.22 115.87 2k3v n HIS 62 Ca -0.32 -2.42 -0.33 0.00 -0.26 0.00 0.00 57.72 54.39 2k3v n HIS 62 Cb 0.72 -1.69 -0.16 0.00 1.12 0.00 0.00 29.99 29.98 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 1.55 0.51 0.26 -1.41 0.00 0.19 -4.34 120.51 117.27 2k3v n ALA 63 Ca 0.57 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2k3v n ALA 63 Cb 0.40 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 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 10.98 -0.63 -2.96 0.00 0.11 -1.89 1.07 132.00 138.68 2k3v h PRO 64 Ca -0.02 0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.44 2k3v h PRO 64 Cb 1.18 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2k3v h PRO 64 CO 1.37 -0.33 3.46 0.72 -0.21 0.00 0.00 178.00 183.01 2k3v n HIS 65 N -5.28 2.52 0.00 0.65 8.25 -1.26 -3.36 115.22 116.73 2k3v n HIS 65 Ca -0.11 -3.02 0.00 0.00 -0.26 0.00 0.00 57.72 54.33 2k3v n HIS 65 Cb 0.31 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.08 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 3.26 0.00 -0.33 -0.41 0.00 -1.21 -5.13 120.64 116.81 2k3v n GLU 66 Ca 0.73 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.68 2k3v n GLU 66 Cb 0.24 0.00 0.20 0.00 0.00 0.00 0.00 31.44 31.88 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3v n ALA 67 N 0.00 -3.33 -3.34 4.31 0.00 0.37 -4.93 120.51 113.58 2k3v n ALA 67 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.21 2k3v n ALA 67 Cb 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 2k3v n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3v s LYS 68 N -4.55 0.26 0.01 0.00 1.02 -1.26 -3.54 119.74 111.68 2k3v s LYS 68 Ca 0.48 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.58 2k3v s LYS 68 Cb -0.07 0.05 -0.15 0.00 -0.52 0.00 0.00 37.83 37.13 2k3v s LYS 68 CO 0.39 -0.08 0.79 0.28 -0.92 0.00 0.00 175.35 175.82 2k3v n VAL 69 N 3.40 0.09 -1.93 3.17 0.31 -0.87 -1.85 118.33 120.65 2k3v n VAL 69 Ca -0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2k3v n VAL 69 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 1.17 0.89 3.77 2.92 0.00 -1.26 -4.88 105.19 107.80 2k3v n GLY 70 Ca 0.15 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2k3v n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k3v s GLU 71 N -3.90 3.15 -0.58 1.61 1.03 -0.77 -5.07 118.70 114.16 2k3v s GLU 71 Ca 0.00 -0.33 0.01 0.00 0.03 0.00 0.00 54.97 54.67 2k3v s GLU 71 Cb 0.00 -2.93 0.15 0.00 -0.80 0.00 0.00 34.13 30.54 2k3v s GLU 71 CO 0.00 0.72 0.36 0.15 -1.33 0.00 0.00 175.26 175.16 2k3v s LYS 72 N -1.11 2.29 0.13 -4.83 1.02 -1.26 -5.04 119.74 110.94 2k3v s LYS 72 Ca 0.16 -2.62 -0.34 0.00 0.02 0.00 0.00 55.97 53.18 2k3v s LYS 72 Cb -0.12 -3.53 -0.17 0.00 -0.52 0.00 0.00 37.83 33.50 2k3v s LYS 72 CO 0.05 -1.15 1.14 -2.30 -0.92 0.00 0.00 175.35 172.17 2k3v n PRO 73 N 3.23 0.87 -3.11 -1.68 -0.02 -1.26 -4.91 135.00 128.12 2k3v n PRO 73 Ca 0.07 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.47 2k3v n PRO 73 Cb 0.35 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.07 5.07 0.18 3.45 -4.23 -1.26 -4.90 115.64 113.87 2k3v s THR 74 Ca 0.78 1.32 -0.11 0.00 -1.18 0.00 0.00 61.69 62.50 2k3v s THR 74 Cb -0.95 -3.98 0.08 0.00 1.34 0.00 0.00 72.50 68.98 2k3v s THR 74 CO 0.52 0.25 1.71 0.00 -0.54 0.00 0.00 174.62 176.56 2k3v h ASP 76 N 0.89 0.00 -0.84 0.00 1.82 -1.65 2.14 116.42 118.78 2k3v h ASP 76 Ca 0.20 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.90 2k3v h ASP 76 Cb 0.29 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.24 2k3v h ASP 76 CO -0.01 0.00 0.52 0.74 -1.61 0.00 0.00 179.24 178.88 2k3v h THR 77 N 0.00 1.03 0.00 2.25 2.02 -1.69 -3.31 112.91 113.21 2k3v h THR 77 Ca 0.58 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 67.31 2k3v h THR 77 Cb 2.86 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 2k3v h THR 77 CO -0.01 0.17 -1.39 0.00 0.37 0.00 0.00 175.52 174.67 2k3v s HIS 79 N -2.16 3.38 -0.30 0.00 3.76 0.60 -4.85 115.29 115.73 2k3v s HIS 79 Ca -0.11 -1.62 0.01 0.00 -0.15 0.00 0.00 55.06 53.19 2k3v s HIS 79 Cb 0.04 -4.08 0.32 0.00 1.11 0.00 0.00 32.58 29.97 2k3v s HIS 79 CO 0.14 -1.28 1.72 -0.40 -0.85 0.00 0.00 174.74 174.07 2k3v n ASP 80 N 5.48 4.73 -1.08 1.40 5.75 -1.24 -2.67 116.55 128.92 2k3v n ASP 80 Ca 0.18 -3.00 0.08 0.00 -0.01 0.00 0.00 54.79 52.05 2k3v n ASP 80 Cb 0.48 -0.83 0.28 0.00 -1.03 0.00 0.00 41.12 40.02 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2k3v n ASP 81 N -0.17 4.15 0.00 -1.12 5.75 -1.26 -4.89 116.55 119.01 2k3v n ASP 81 Ca 0.34 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 2k3v n ASP 81 Cb 0.92 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 82 N -0.11 1.99 2.67 6.12 0.00 -1.25 -5.01 105.19 109.60 2k3v n GLY 82 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.24 1.61 3.00 -1.25 -4.94 116.66 108.85 2k3v n ARG 83 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2k3v n ARG 83 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 32.46 31.21 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 0.06 1.23 0.54 5.15 -4.23 -1.26 -4.06 115.64 113.07 2k3v s THR 84 Ca 0.70 -1.84 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 2k3v s THR 84 Cb -0.97 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 2k3v s THR 84 CO 0.44 -0.56 1.16 0.00 -0.54 0.00 0.00 174.62 175.12 2k3v s ALA 85 N -2.61 2.73 0.00 3.99 0.00 -1.26 -5.01 121.76 119.60 2k3v s ALA 85 Ca 0.11 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2k3v s ALA 85 Cb -0.02 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2k3v s ALA 85 CO 0.02 -0.83 0.00 1.17 0.00 0.00 0.00 175.76 176.12