#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 6.51 -0.01 0.00 -1.08 -1.26 -5.09 116.67 115.74 2k3v s ASP 2 Ca 0.00 0.59 -0.08 0.00 -0.52 0.00 0.00 52.55 52.53 2k3v s ASP 2 Cb 0.00 -2.10 -0.05 0.00 -1.46 0.00 0.00 42.92 39.31 2k3v s ASP 2 CO 0.00 0.25 0.28 -1.83 0.52 0.00 0.00 175.17 174.39 2k3v s GLU 3 N -1.76 3.63 0.96 4.34 -1.05 -1.26 -4.96 118.70 118.60 2k3v s GLU 3 Ca 0.28 0.03 -0.11 0.00 -0.15 0.00 0.00 54.97 55.01 2k3v s GLU 3 Cb -0.13 -3.11 0.14 0.00 -0.44 0.00 0.00 34.13 30.58 2k3v s GLU 3 CO 0.16 0.67 0.95 0.25 0.95 0.00 0.00 175.26 178.25 2k3v n THR 4 N 1.38 0.00 -0.17 1.83 -2.24 -1.26 -1.92 114.28 111.90 2k3v n THR 4 Ca -0.13 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2k3v n THR 4 Cb 0.53 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.94 0.81 -2.06 3.22 5.85 -1.53 -1.43 115.31 118.24 2k3v h LEU 5 Ca -0.46 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.01 2k3v h LEU 5 Cb 1.28 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2k3v h LEU 5 CO 0.40 0.91 0.11 0.00 -0.34 0.00 0.00 178.44 179.53 2k3v h ALA 6 N 0.93 2.07 0.23 1.25 0.00 -1.87 -1.76 119.26 120.11 2k3v h ALA 6 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k3v h ALA 6 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k3v h ALA 6 CO 0.02 -0.19 -0.11 1.49 0.00 0.00 0.00 179.25 180.46 2k3v h GLU 7 N 0.00 -0.29 -1.08 0.00 4.81 -1.68 -1.75 114.58 114.59 2k3v h GLU 7 Ca 0.07 0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.64 2k3v h GLU 7 Cb 0.29 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.61 2k3v h GLU 7 CO -0.00 -0.03 0.66 0.35 -0.73 0.00 0.00 179.01 179.25 2k3v h PHE 8 N -1.02 0.79 -0.09 0.92 3.57 -0.86 0.94 116.94 121.20 2k3v h PHE 8 Ca -0.03 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 2k3v h PHE 8 Cb 0.40 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.93 2k3v h PHE 8 CO 0.04 -0.09 -0.84 0.45 -2.23 0.00 0.00 178.31 175.65 2k3v h HIS 9 N 0.33 0.88 0.35 0.41 3.86 -1.38 -3.15 115.15 116.45 2k3v h HIS 9 Ca 0.70 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k3v h HIS 9 Cb 1.75 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 30.08 2k3v h HIS 9 CO -0.01 1.23 -0.33 0.28 0.86 0.00 0.00 177.93 179.96 2k3v h VAL 10 N 0.41 0.31 0.00 2.45 2.07 0.18 0.96 116.25 122.63 2k3v h VAL 10 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k3v h VAL 10 Cb 1.46 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2k3v h VAL 10 CO 0.16 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 178.02 2k3v h GLU 11 N -0.71 0.00 -0.53 1.57 4.57 -1.03 1.53 114.58 119.99 2k3v h GLU 11 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k3v h GLU 11 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k3v h GLU 11 CO -0.05 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.45 2k3v n MET 12 N -2.82 4.15 0.00 1.92 2.81 0.27 -4.88 117.12 118.57 2k3v n MET 12 Ca -0.02 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.87 2k3v n MET 12 Cb 0.39 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 0.55 -2.06 0.00 3.03 0.00 0.48 -5.03 105.19 102.17 2k3v n GLY 13 Ca 0.26 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.04 0.19 -0.02 0.00 0.12 -4.90 105.19 99.54 2k3v n GLY 14 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.67 1.36 0.20 0.00 4.71 -1.26 -3.00 120.64 119.98 2k3v n GLU 16 Ca 0.02 -0.48 0.07 0.00 -0.01 0.00 0.00 57.16 56.76 2k3v n GLU 16 Cb 0.33 -1.19 0.36 0.00 -1.01 0.00 0.00 31.44 29.93 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 0.75 0.00 0.00 1.62 -1.24 -1.75 -3.30 115.58 111.65 2k3v h ASN 17 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2k3v h ASN 17 Cb 0.27 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.16 2k3v h ASN 17 CO 0.01 0.34 -0.56 0.00 -1.29 0.00 0.00 177.43 175.94 2k3v s HIS 19 N 0.00 -0.22 -0.27 0.00 3.76 -1.16 -4.86 115.29 112.54 2k3v s HIS 19 Ca 0.12 0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 55.46 2k3v s HIS 19 Cb 0.13 0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.81 2k3v s HIS 19 CO -0.06 -0.13 0.19 0.00 -0.85 0.00 0.00 174.74 173.89 2k3v s ALA 20 N 0.46 3.55 -1.33 -1.40 0.00 -1.26 -4.16 121.76 117.62 2k3v s ALA 20 Ca -0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 2k3v s ALA 20 Cb -0.04 -2.45 0.14 0.00 0.00 0.00 0.00 23.12 20.77 2k3v s ALA 20 CO -0.02 -0.47 0.47 -3.47 0.00 0.00 0.00 175.76 172.27 2k3v n ASP 21 N 4.88 -2.25 -3.36 0.00 4.64 -1.26 -0.06 116.55 119.14 2k3v n ASP 21 Ca -0.14 -0.66 -0.19 0.00 -1.38 0.00 0.00 54.79 52.43 2k3v n ASP 21 Cb 0.52 -1.94 0.06 0.00 -1.04 0.00 0.00 41.12 38.73 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2k3v n GLY 22 N -1.00 -1.07 2.43 0.27 0.00 -1.26 -4.99 105.19 99.57 2k3v n GLY 22 Ca 0.06 0.53 -0.20 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 -3.50 0.49 -1.57 1.61 4.07 0.92 -5.12 120.64 117.53 2k3v n GLU 23 Ca -0.09 -2.82 -0.50 0.00 -0.06 0.00 0.00 57.16 53.69 2k3v n GLU 23 Cb 0.62 -1.46 -0.05 0.00 -0.06 0.00 0.00 31.44 30.49 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2k3v n PRO 24 N 2.24 1.04 -0.66 5.31 -0.02 -1.26 -4.35 135.00 137.31 2k3v n PRO 24 Ca 0.22 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 2k3v n PRO 24 Cb 0.53 -1.89 0.18 0.00 -0.02 0.00 0.00 33.50 32.30 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 2.09 -0.10 -2.13 2.55 2.88 -1.26 -4.93 113.62 112.72 2k3v n SER 25 Ca 0.16 0.34 -0.28 0.00 -1.33 0.00 0.00 58.87 57.76 2k3v n SER 25 Cb 0.22 -1.43 0.05 0.00 -0.75 0.00 0.00 64.21 62.30 2k3v n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k3v n LYS 26 N -4.13 3.17 0.16 -1.46 5.02 -1.26 -4.63 118.16 115.02 2k3v n LYS 26 Ca 0.11 -3.76 0.00 0.00 -2.02 0.00 0.00 58.31 52.63 2k3v n LYS 26 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k3v n ASP 27 N -0.81 -1.77 0.00 4.39 5.68 -1.26 -5.06 116.55 117.72 2k3v n ASP 27 Ca 0.52 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 55.39 2k3v n ASP 27 Cb 0.84 1.79 0.00 0.00 -1.14 0.00 0.00 41.12 42.61 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 28 N 0.09 1.14 0.11 6.12 0.00 -1.26 -4.97 105.19 106.42 2k3v n GLY 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.17 -0.82 4.61 0.00 -1.97 0.23 119.26 121.14 2k3v h ALA 29 Ca 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2k3v h ALA 29 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 2k3v h ALA 29 CO 0.00 -0.49 0.14 -0.92 0.00 0.00 0.00 179.25 177.97 2k3v h TYR 30 N -0.38 0.19 0.03 0.00 3.20 -1.99 0.19 116.97 118.22 2k3v h TYR 30 Ca -0.02 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2k3v h TYR 30 Cb 0.30 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2k3v h TYR 30 CO -0.01 -0.21 -0.02 0.93 -1.64 0.00 0.00 178.16 177.22 2k3v h GLU 31 N 0.17 -0.04 -0.74 1.82 5.08 -1.85 -2.91 114.58 116.11 2k3v h GLU 31 Ca 0.49 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 59.06 2k3v h GLU 31 Cb 0.92 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2k3v h GLU 31 CO -0.65 0.41 0.89 0.35 -1.00 0.00 0.00 179.01 179.01 2k3v h PHE 32 N -0.51 0.00 -0.21 4.33 3.57 0.98 0.98 116.94 126.08 2k3v h PHE 32 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2k3v h PHE 32 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k3v h PHE 32 CO 0.08 0.00 -0.21 0.93 -2.23 0.00 0.00 178.31 176.88 2k3v h GLU 33 N 0.00 0.51 -0.88 1.11 3.07 -0.98 -2.94 114.58 114.47 2k3v h GLU 33 Ca 0.35 -0.27 0.22 0.00 -0.50 0.00 0.00 59.36 59.16 2k3v h GLU 33 Cb 2.13 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 30.00 2k3v h GLU 33 CO -0.00 0.85 0.60 1.96 -1.40 0.00 0.00 179.01 181.02 2k3v h GLN 34 N 0.19 0.25 -1.92 2.33 1.08 0.95 0.64 115.11 118.62 2k3v h GLN 34 Ca 0.03 -0.01 -0.38 0.00 -1.45 0.00 0.00 58.65 56.83 2k3v h GLN 34 Cb 0.76 -0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.00 2k3v h GLN 34 CO 0.05 0.16 0.21 0.00 -0.95 0.00 0.00 178.83 178.30 2k3v n GLN 36 N 1.17 0.93 0.00 0.00 7.27 0.22 -4.45 117.38 122.51 2k3v n GLN 36 Ca 0.43 -2.59 0.00 0.00 0.07 0.00 0.00 57.00 54.90 2k3v n GLN 36 Cb 0.63 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.93 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 0.65 0.00 0.02 1.69 2.88 -1.26 -4.79 113.62 112.81 2k3v n SER 37 Ca 0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.76 2k3v n SER 37 Cb 0.65 0.27 0.30 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.62 0.00 -0.57 0.00 -0.00 -1.26 -5.17 115.22 106.59 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 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 4.59 -0.04 3.63 -1.41 0.00 -1.26 -5.04 105.19 105.65 2k3v n GLY 40 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 4.69 0.41 1.61 0.15 -1.26 -4.36 113.70 110.94 2k3v s SER 41 Ca 0.00 -0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.48 2k3v s SER 41 Cb 0.00 -1.01 0.93 0.00 -1.71 0.00 0.00 66.02 64.22 2k3v s SER 41 CO 0.00 0.19 1.98 -0.07 1.20 0.00 0.00 173.24 176.54 2k3v h LEU 42 N 3.62 0.47 0.00 3.45 3.38 -1.94 0.82 115.31 125.10 2k3v h LEU 42 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3v h LEU 42 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k3v h LEU 42 CO 0.56 0.29 0.00 0.00 0.09 0.00 0.00 178.44 179.38 2k3v n ALA 43 N -2.49 1.64 -1.21 1.53 0.00 -1.26 -1.18 120.51 117.53 2k3v n ALA 43 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2k3v n ALA 43 Cb 0.30 -1.19 0.19 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.38 1.77 -2.50 0.00 4.07 0.28 -4.97 120.64 117.91 2k3v n GLU 44 Ca 0.04 -2.87 -0.07 0.00 -0.06 0.00 0.00 57.16 54.20 2k3v n GLU 44 Cb 0.12 -1.64 -0.01 0.00 -0.06 0.00 0.00 31.44 29.84 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2k3v n MET 45 N -1.13 1.62 -0.52 5.31 2.81 -0.32 -4.80 117.12 120.09 2k3v n MET 45 Ca 0.20 -0.85 -0.19 0.00 -1.81 0.00 0.00 57.70 55.05 2k3v n MET 45 Cb 0.76 0.20 0.15 0.00 -0.71 0.00 0.00 33.22 33.62 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 -1.27 -3.05 -0.13 7.83 5.68 -1.26 -4.57 116.55 119.78 2k3v n ASP 46 Ca -0.04 -0.40 0.06 0.00 -0.50 0.00 0.00 54.79 53.90 2k3v n ASP 46 Cb 0.15 -0.78 0.29 0.00 -1.14 0.00 0.00 41.12 39.64 2k3v n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k3v n ASP 47 N -1.48 0.40 -0.10 -1.12 9.92 -1.26 -2.35 116.55 120.55 2k3v n ASP 47 Ca 0.06 -1.72 -0.13 0.00 -0.53 0.00 0.00 54.79 52.47 2k3v n ASP 47 Cb 0.37 -0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.68 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k3v n ASN 48 N -0.42 1.21 0.04 -2.24 3.02 -1.26 -4.20 115.26 111.42 2k3v n ASN 48 Ca 0.09 -0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 2k3v n ASN 48 Cb 0.10 0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.07 0.12 3.10 3.86 -1.83 -3.37 115.15 117.11 2k3v h HIS 49 Ca -0.52 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 58.64 2k3v h HIS 49 Cb 2.00 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.46 2k3v h HIS 49 CO 0.01 1.05 -0.10 0.87 0.86 0.00 0.00 177.93 180.62 2k3v h LYS 50 N 0.01 -0.21 -0.50 2.45 1.57 -1.39 0.45 116.57 118.95 2k3v h LYS 50 Ca -0.11 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.85 2k3v h LYS 50 Cb 1.87 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 34.13 2k3v h LYS 50 CO 0.12 -0.14 0.12 -2.30 -0.57 0.00 0.00 179.45 176.69 2k3v n PRO 51 N -2.87 -0.04 -0.06 3.15 -0.02 -1.26 0.25 135.00 134.15 2k3v n PRO 51 Ca -0.03 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2k3v n PRO 51 Cb 0.10 -1.21 -0.13 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 0.03 0.00 6.00 3.86 -1.62 -3.46 115.15 119.95 2k3v h HIS 52 Ca 0.36 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k3v h HIS 52 Cb 0.84 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2k3v h HIS 52 CO -0.15 1.01 0.00 -3.47 0.86 0.00 0.00 177.93 176.19 2k3v n ASP 53 N -4.59 0.00 -0.48 2.45 4.64 0.68 -1.77 116.55 117.48 2k3v n ASP 53 Ca -0.10 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.31 2k3v n ASP 53 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 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 0.60 2.09 0.27 0.00 -1.26 -4.91 105.19 101.98 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 -0.48 -1.56 -4.28 0.99 4.77 -0.73 -5.14 117.00 110.57 2k3v n LEU 55 Ca 0.00 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 2k3v n LEU 55 Cb 0.21 1.73 -0.12 0.00 -2.33 0.00 0.00 43.42 42.91 2k3v n LEU 55 CO 0.00 -0.21 -0.51 -1.48 -1.33 0.00 0.00 177.39 173.85 2k3v s LEU 56 N -5.75 2.30 0.94 2.23 2.34 -1.26 -5.15 118.68 114.33 2k3v s LEU 56 Ca 0.00 -0.68 -0.13 0.00 0.06 0.00 0.00 54.13 53.38 2k3v s LEU 56 Cb 0.00 -0.85 0.15 0.00 -0.56 0.00 0.00 46.19 44.94 2k3v s LEU 56 CO 0.00 0.04 1.15 -0.04 -1.06 0.00 0.00 176.35 176.44 2k3v s MET 57 N -1.90 0.91 0.00 1.48 -1.94 -1.26 -4.85 119.30 111.74 2k3v s MET 57 Ca 0.06 0.23 -0.02 0.00 -1.71 0.00 0.00 55.69 54.25 2k3v s MET 57 Cb -0.10 -1.82 -0.01 0.00 2.01 0.00 0.00 34.83 34.91 2k3v s MET 57 CO 0.04 -2.34 0.97 0.00 -0.01 0.00 0.00 175.02 173.68 2k3v n ALA 59 N -2.03 -0.04 -0.54 0.00 0.00 -1.26 0.27 120.51 116.91 2k3v n ALA 59 Ca -0.01 0.98 0.42 0.00 0.00 0.00 0.00 53.44 54.83 2k3v n ALA 59 Cb 0.02 -0.47 0.66 0.00 0.00 0.00 0.00 19.45 19.66 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 -5.45 0.06 -0.09 0.00 9.92 -1.17 0.48 116.55 120.30 2k3v n ASP 60 Ca 0.11 0.96 -0.18 0.00 -0.53 0.00 0.00 54.79 55.15 2k3v n ASP 60 Cb 0.41 -0.48 -0.06 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 -3.88 1.82 -1.36 0.00 8.25 0.48 -4.78 115.22 115.76 2k3v n HIS 62 Ca -0.33 -2.36 -0.31 0.00 -0.26 0.00 0.00 57.72 54.46 2k3v n HIS 62 Cb 0.70 -1.75 -0.16 0.00 1.12 0.00 0.00 29.99 29.91 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 1.85 0.52 0.30 -1.41 0.00 0.18 -4.37 120.51 117.58 2k3v n ALA 63 Ca 0.57 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2k3v n ALA 63 Cb 0.45 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 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 10.55 -0.73 -2.79 0.00 0.11 -1.87 1.42 132.00 138.68 2k3v h PRO 64 Ca -0.02 0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.54 2k3v h PRO 64 Cb 1.13 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2k3v h PRO 64 CO 1.33 -0.43 3.00 0.72 -0.21 0.00 0.00 178.00 182.41 2k3v n HIS 65 N -5.35 2.06 0.00 0.65 8.25 -1.26 -3.30 115.22 116.27 2k3v n HIS 65 Ca -0.12 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 2k3v n HIS 65 Cb 0.34 -2.27 0.00 0.00 1.12 0.00 0.00 29.99 29.18 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 3.15 0.00 -0.64 -0.41 4.07 -1.20 -5.13 120.64 120.49 2k3v n GLU 66 Ca 0.71 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 57.53 2k3v n GLU 66 Cb 0.34 0.00 0.24 0.00 -0.06 0.00 0.00 31.44 31.97 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3v s ALA 67 N 0.00 -0.33 -0.02 4.31 0.00 0.48 -4.92 121.76 121.27 2k3v s ALA 67 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2k3v s ALA 67 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2k3v s ALA 67 CO 0.00 -3.75 -0.04 0.15 0.00 0.00 0.00 175.76 172.13 2k3v s LYS 68 N -4.54 0.52 0.02 0.00 1.02 -1.26 -3.01 119.74 112.48 2k3v s LYS 68 Ca 0.68 -0.09 -0.36 0.00 0.02 0.00 0.00 55.97 56.22 2k3v s LYS 68 Cb -0.24 -0.56 -0.18 0.00 -0.52 0.00 0.00 37.83 36.33 2k3v s LYS 68 CO 0.64 -0.01 0.95 0.28 -0.92 0.00 0.00 175.35 176.28 2k3v n VAL 69 N 3.60 0.18 -1.89 3.17 0.31 -0.81 -1.82 118.33 121.07 2k3v n VAL 69 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2k3v n VAL 69 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.44 0.88 2.63 2.92 0.00 -1.26 -4.84 105.19 106.95 2k3v n GLY 70 Ca 0.18 -0.60 -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 -3.84 0.47 -0.28 1.61 -6.30 -0.75 -5.10 118.70 104.51 2k3v s GLU 71 Ca 0.00 -0.86 -0.29 0.00 -2.50 0.00 0.00 54.97 51.32 2k3v s GLU 71 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 34.13 32.56 2k3v s GLU 71 CO 0.00 -1.02 1.28 -1.59 0.02 0.00 0.00 175.26 173.95 2k3v s LYS 72 N 1.77 3.97 0.80 4.30 -2.85 -1.26 -4.83 119.74 121.64 2k3v s LYS 72 Ca 0.10 1.29 -0.16 0.00 -1.00 0.00 0.00 55.97 56.20 2k3v s LYS 72 Cb -0.17 -3.85 -0.08 0.00 -2.06 0.00 0.00 37.83 31.66 2k3v s LYS 72 CO -0.28 -1.05 -0.01 -2.30 0.10 0.00 0.00 175.35 171.81 2k3v n PRO 73 N 7.19 0.05 -4.06 1.78 -0.02 -1.26 -4.95 135.00 133.73 2k3v n PRO 73 Ca 0.14 0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 2k3v n PRO 73 Cb 0.46 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 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 -2.04 4.84 0.32 3.45 -4.23 -1.26 -4.96 115.64 111.76 2k3v s THR 74 Ca 0.55 -0.03 0.30 0.00 -1.18 0.00 0.00 61.69 61.33 2k3v s THR 74 Cb -0.30 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 70.73 2k3v s THR 74 CO 0.69 0.53 2.04 0.00 -0.54 0.00 0.00 174.62 177.33 2k3v n ASP 76 N -3.38 0.00 -0.79 0.00 2.03 -1.22 0.23 116.55 113.41 2k3v n ASP 76 Ca -0.01 0.45 0.04 0.00 0.52 0.00 0.00 54.79 55.79 2k3v n ASP 76 Cb 0.27 -0.47 0.16 0.00 -0.72 0.00 0.00 41.12 40.36 2k3v n ASP 76 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2k3v n THR 77 N -1.47 0.73 0.12 5.18 -1.04 -0.17 -4.51 114.28 113.12 2k3v n THR 77 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2k3v n THR 77 Cb 0.11 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 3.74 -0.26 0.00 3.76 0.63 -4.97 115.29 116.19 2k3v s HIS 79 Ca 0.00 1.25 0.13 0.00 -0.15 0.00 0.00 55.06 56.28 2k3v s HIS 79 Cb 0.00 -2.57 0.47 0.00 1.11 0.00 0.00 32.58 31.58 2k3v s HIS 79 CO 0.00 0.45 1.17 -0.25 -0.85 0.00 0.00 174.74 175.26 2k3v n ASP 80 N 2.30 3.47 -0.44 1.40 8.00 -1.26 -3.41 116.55 126.61 2k3v n ASP 80 Ca -0.08 -3.22 0.07 0.00 0.71 0.00 0.00 54.79 52.27 2k3v n ASP 80 Cb 0.51 -0.40 0.18 0.00 -0.02 0.00 0.00 41.12 41.39 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2k3v n ASP 81 N -0.66 2.22 0.00 -2.24 3.85 -1.26 -4.91 116.55 113.54 2k3v n ASP 81 Ca 0.29 -3.47 0.00 0.00 -0.71 0.00 0.00 54.79 50.90 2k3v n ASP 81 Cb 0.90 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2k3v n GLY 82 N -1.22 2.08 2.36 6.12 0.00 -1.26 -4.95 105.19 108.32 2k3v n GLY 82 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.37 1.61 3.00 -1.26 -4.93 116.66 108.72 2k3v n ARG 83 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 2k3v n ARG 83 Cb 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 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 0.67 1.94 0.43 5.15 -4.23 -1.26 -4.53 115.64 113.81 2k3v s THR 84 Ca 0.63 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 2k3v s THR 84 Cb -0.89 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 2k3v s THR 84 CO 0.43 -0.41 1.01 0.00 -0.54 0.00 0.00 174.62 175.11 2k3v s ALA 85 N -2.39 3.00 -0.13 3.99 0.00 -1.26 -5.02 121.76 119.95 2k3v s ALA 85 Ca 0.21 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.74 2k3v s ALA 85 Cb -0.04 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2k3v s ALA 85 CO 0.08 -0.11 0.53 1.17 0.00 0.00 0.00 175.76 177.43