#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi s LEU 39 N 0.00 4.32 -0.01 4.31 1.43 -1.26 -5.05 118.68 122.42 3kzi s LEU 39 Ca 0.00 1.39 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 3kzi s LEU 39 Cb 0.00 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3kzi s LEU 39 CO 0.00 -0.22 0.17 0.68 0.23 0.00 0.00 176.35 177.21 3kzi s VAL 40 N 1.08 0.06 -1.01 -1.59 -7.23 -1.26 -5.09 120.40 105.36 3kzi s VAL 40 Ca 0.44 -0.53 -0.19 0.00 -1.81 0.00 0.00 61.98 59.88 3kzi s VAL 40 Cb -0.19 -0.43 0.11 0.00 0.56 0.00 0.00 36.38 36.43 3kzi s VAL 40 CO 0.21 -0.29 1.28 0.21 -0.31 0.00 0.00 175.10 176.20 3kzi s ASN 41 N -1.10 6.66 0.31 4.85 3.84 -1.26 -4.88 114.94 123.36 3kzi s ASN 41 Ca -0.12 -2.03 0.23 0.00 0.21 0.00 0.00 52.86 51.15 3kzi s ASN 41 Cb -0.06 -2.45 1.04 0.00 -0.55 0.00 0.00 41.25 39.22 3kzi s ASN 41 CO 0.02 -1.15 1.08 1.33 -2.79 0.00 0.00 177.10 175.59 3kzi n VAL 42 N 5.80 -0.16 -0.03 -5.21 0.24 -1.26 -0.55 118.33 117.15 3kzi n VAL 42 Ca 0.29 1.23 -0.15 0.00 -2.04 0.00 0.00 64.34 63.68 3kzi n VAL 42 Cb 0.49 -2.02 -0.10 0.00 -1.47 0.00 0.00 33.84 30.73 3kzi n VAL 42 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3kzi h VAL 43 N 0.00 1.49 0.00 3.34 2.07 -1.99 -1.39 116.25 119.76 3kzi h VAL 43 Ca 0.61 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3kzi h VAL 43 Cb 2.00 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3kzi h VAL 43 CO -0.30 0.50 -0.02 0.44 0.02 0.00 0.00 177.57 178.20 3kzi h ASP 44 N -0.38 0.00 0.64 0.57 3.32 -1.24 -1.45 116.42 117.86 3kzi h ASP 44 Ca -0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 3kzi h ASP 44 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3kzi h ASP 44 CO 0.05 0.02 -1.38 -0.08 -1.72 0.00 0.00 179.24 176.13 3kzi h GLU 45 N 0.00 0.13 -0.18 3.56 4.81 -1.34 -3.27 114.58 118.29 3kzi h GLU 45 Ca -0.00 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3kzi h GLU 45 Cb 0.16 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3kzi h GLU 45 CO 0.00 0.98 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.93 3kzi h LYS 46 N 0.04 0.29 0.00 1.92 1.63 -0.17 -1.77 116.57 118.51 3kzi h LYS 46 Ca -0.17 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3kzi h LYS 46 Cb 1.94 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 3kzi h LYS 46 CO 0.14 0.41 0.00 1.28 -3.45 0.00 0.00 179.45 177.84 3kzi n LEU 47 N -4.27 0.00 -0.87 5.20 4.77 -1.02 -1.69 117.00 119.12 3kzi n LEU 47 Ca -0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3kzi n LEU 47 Cb 0.27 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.55 3kzi n LEU 47 CO 0.38 0.00 0.65 0.61 -1.33 0.00 0.00 177.39 177.70 3kzi n GLY 48 N -0.11 2.09 0.00 -0.72 0.00 -0.66 -4.78 105.19 101.01 3kzi n GLY 48 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kzi n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kzi n THR 49 N 0.96 0.00 -0.15 2.61 -2.24 -0.68 -5.02 114.28 109.76 3kzi n THR 49 Ca 0.15 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 3kzi n THR 49 Cb 0.48 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3kzi n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kzi h ALA 50 N 0.60 0.59 -2.85 6.98 0.00 -1.94 -3.37 119.26 119.26 3kzi h ALA 50 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 3kzi h ALA 50 Cb 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 17.79 17.73 3kzi h ALA 50 CO 0.00 0.01 0.73 0.98 0.00 0.00 0.00 179.25 180.96 3kzi n TYR 51 N -4.79 2.86 0.00 0.00 9.36 -1.26 -0.36 117.16 122.97 3kzi n TYR 51 Ca 0.02 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.70 3kzi n TYR 51 Cb 0.04 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.24 3kzi n TYR 51 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kzi n GLY 52 N 0.52 0.13 0.00 2.98 0.00 -1.26 -4.41 105.19 103.16 3kzi n GLY 52 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3kzi n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kzi n GLU 53 N -2.00 2.12 -3.98 1.61 1.02 0.51 -5.02 120.64 114.90 3kzi n GLU 53 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3kzi n GLU 53 Cb 0.00 -0.74 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 3kzi n GLU 53 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kzi s LYS 54 N -1.38 1.24 -0.26 3.49 1.02 -0.69 -5.06 119.74 118.09 3kzi s LYS 54 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 3kzi s LYS 54 Cb 0.00 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.67 3kzi s LYS 54 CO 0.00 -0.46 1.84 0.42 -0.92 0.00 0.00 175.35 176.22 3kzi s ILE 55 N -3.99 3.42 -0.41 2.17 1.01 -0.27 -4.51 121.20 118.63 3kzi s ILE 55 Ca 0.20 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 3kzi s ILE 55 Cb 0.03 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3kzi s ILE 55 CO 0.02 -0.29 1.11 -0.62 0.00 0.00 0.00 174.94 175.16 3kzi s ASP 56 N 5.94 6.77 0.45 3.58 -1.08 -1.26 -2.46 116.67 128.61 3kzi s ASP 56 Ca 0.82 0.73 0.31 0.00 -0.52 0.00 0.00 52.55 53.89 3kzi s ASP 56 Cb -0.26 -2.55 1.57 0.00 -1.46 0.00 0.00 42.92 40.22 3kzi s ASP 56 CO 0.33 -1.08 1.94 -0.07 0.52 0.00 0.00 175.17 176.81 3kzi h LEU 57 N 10.71 0.00 -0.31 -1.34 3.38 -1.87 -1.78 115.31 124.10 3kzi h LEU 57 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kzi h LEU 57 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3kzi h LEU 57 CO 1.08 0.00 -0.55 0.59 0.09 0.00 0.00 178.44 179.66 3kzi n ASN 58 N -2.63 0.99 0.09 -0.43 3.02 -1.26 -4.79 115.26 110.25 3kzi n ASN 58 Ca -0.01 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3kzi n ASN 58 Cb 0.12 0.81 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 3kzi n ASN 58 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kzi n ASN 59 N -0.91 0.04 -4.18 6.41 3.02 -0.98 -4.64 115.26 114.01 3kzi n ASN 59 Ca 0.04 0.31 -0.49 0.00 -0.03 0.00 0.00 54.58 54.40 3kzi n ASN 59 Cb 0.26 0.20 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 3kzi n ASN 59 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3kzi n THR 60 N -3.23 1.11 -2.06 3.41 -1.04 -0.71 -4.86 114.28 106.92 3kzi n THR 60 Ca 0.00 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.36 3kzi n THR 60 Cb 0.03 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.55 3kzi n THR 60 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3kzi s ASN 61 N -0.56 5.71 0.32 8.00 3.84 -1.26 -4.87 114.94 126.12 3kzi s ASN 61 Ca 0.71 2.48 0.10 0.00 0.21 0.00 0.00 52.86 56.35 3kzi s ASN 61 Cb -1.01 -2.61 0.91 0.00 -0.55 0.00 0.00 41.25 37.99 3kzi s ASN 61 CO 0.53 -1.25 1.70 -0.29 -2.79 0.00 0.00 177.10 175.01 3kzi h ILE 62 N 1.58 0.46 0.00 -5.21 2.10 -1.04 -1.47 117.51 113.93 3kzi h ILE 62 Ca -0.50 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3kzi h ILE 62 Cb 1.27 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3kzi h ILE 62 CO 0.58 0.09 0.08 0.00 -1.08 0.00 0.00 178.15 177.82 3kzi h ALA 63 N 1.76 1.08 0.00 0.18 0.00 -1.92 -2.13 119.26 118.24 3kzi h ALA 63 Ca 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3kzi h ALA 63 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kzi h ALA 63 CO -0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 178.64 3kzi h ALA 64 N 1.83 1.70 0.00 0.00 0.00 -1.63 -1.87 119.26 119.29 3kzi h ALA 64 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kzi h ALA 64 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kzi h ALA 64 CO 0.00 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.45 3kzi n PHE 65 N -4.11 0.00 1.91 0.00 3.72 -0.80 -3.17 117.46 115.01 3kzi n PHE 65 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 3kzi n PHE 65 Cb 0.09 -0.34 0.69 0.00 -0.94 0.00 0.00 39.48 38.97 3kzi n PHE 65 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3kzi n ILE 66 N -1.34 0.00 -0.07 4.37 5.41 -0.70 -3.39 119.36 123.63 3kzi n ILE 66 Ca 0.08 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.94 3kzi n ILE 66 Cb 0.16 -0.40 0.29 0.00 -0.71 0.00 0.00 39.64 38.98 3kzi n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kzi n GLN 67 N -0.88 2.55 -4.09 0.38 10.64 -1.19 -4.89 117.38 119.90 3kzi n GLN 67 Ca 0.17 -2.41 -0.14 0.00 -1.83 0.00 0.00 57.00 52.80 3kzi n GLN 67 Cb 0.08 -1.53 -0.13 0.00 -0.86 0.00 0.00 30.24 27.81 3kzi n GLN 67 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3kzi s TYR 68 N -1.16 0.55 0.12 2.61 2.02 -1.22 -5.12 117.35 115.14 3kzi s TYR 68 Ca 0.44 -0.31 -0.33 0.00 -0.37 0.00 0.00 57.07 56.51 3kzi s TYR 68 Cb 0.24 -0.34 -0.12 0.00 -0.40 0.00 0.00 41.96 41.33 3kzi s TYR 68 CO 0.31 -0.05 1.72 -2.13 -1.57 0.00 0.00 175.55 173.83 3kzi n ARG 69 N 2.17 2.41 -2.38 -0.62 0.63 -1.26 -3.42 116.66 114.18 3kzi n ARG 69 Ca -0.18 0.88 -0.19 0.00 -0.92 0.00 0.00 57.85 57.44 3kzi n ARG 69 Cb 0.56 -2.70 -0.01 0.00 0.45 0.00 0.00 32.46 30.76 3kzi n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kzi n GLY 70 N 3.87 -0.42 0.07 5.14 0.00 -1.26 -4.89 105.19 107.70 3kzi n GLY 70 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3kzi n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kzi n LEU 71 N -2.94 0.86 0.00 0.99 4.77 -1.22 -4.82 117.00 114.64 3kzi n LEU 71 Ca -0.22 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3kzi n LEU 71 Cb 0.67 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3kzi n LEU 71 CO 0.26 0.46 0.00 0.00 -1.33 0.00 0.00 177.39 176.78 3kzi n TYR 72 N -2.64 0.00 0.00 -1.77 9.36 -1.24 -1.24 117.16 119.62 3kzi n TYR 72 Ca -0.24 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.98 3kzi n TYR 72 Cb 0.90 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.61 3kzi n TYR 72 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3kzi n PRO 73 N 0.00 0.00 0.25 2.98 -0.02 -1.26 -1.89 135.00 135.06 3kzi n PRO 73 Ca 0.00 0.12 -0.16 0.00 -2.02 0.00 0.00 63.50 61.44 3kzi n PRO 73 Cb 0.00 -0.42 -0.08 0.00 -0.02 0.00 0.00 33.50 32.98 3kzi n PRO 73 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kzi h THR 74 N 0.00 0.19 -0.27 3.45 2.02 -1.95 -3.00 112.91 113.37 3kzi h THR 74 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3kzi h THR 74 Cb 0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3kzi h THR 74 CO 0.00 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.80 3kzi h LEU 75 N -0.82 0.48 -1.36 2.58 3.38 -1.60 -2.77 115.31 115.21 3kzi h LEU 75 Ca -0.03 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3kzi h LEU 75 Cb 0.73 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3kzi h LEU 75 CO -0.06 0.70 0.48 0.00 0.09 0.00 0.00 178.44 179.64 3kzi h ALA 76 N 0.80 1.68 -0.06 1.53 0.00 -0.44 0.38 119.26 123.15 3kzi h ALA 76 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kzi h ALA 76 Cb 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kzi h ALA 76 CO 0.02 0.22 0.00 -0.22 0.00 0.00 0.00 179.25 179.27 3kzi h LYS 77 N 0.78 0.10 -0.06 0.00 3.64 -1.49 -1.34 116.57 118.21 3kzi h LYS 77 Ca 0.31 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3kzi h LYS 77 Cb 0.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3kzi h LYS 77 CO -0.10 0.38 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.37 3kzi h LEU 78 N -0.18 -0.06 0.26 5.20 3.38 -0.94 0.51 115.31 123.48 3kzi h LEU 78 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kzi h LEU 78 Cb 0.33 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3kzi h LEU 78 CO 0.00 -0.02 -0.37 0.40 0.09 0.00 0.00 178.44 178.54 3kzi h ILE 79 N -0.00 0.24 0.11 1.22 2.04 -0.25 0.28 117.51 121.15 3kzi h ILE 79 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3kzi h ILE 79 Cb 0.05 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3kzi h ILE 79 CO -0.07 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.61 3kzi h VAL 80 N -0.69 0.93 -0.71 1.67 2.07 -1.16 -2.76 116.25 115.59 3kzi h VAL 80 Ca -0.00 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.48 3kzi h VAL 80 Cb 0.66 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3kzi h VAL 80 CO -0.13 0.04 0.47 0.50 0.02 0.00 0.00 177.57 178.47 3kzi h LYS 81 N -0.22 0.51 -2.82 1.57 1.63 0.20 -3.19 116.57 114.25 3kzi h LYS 81 Ca -0.02 -0.03 -0.72 0.00 -0.85 0.00 0.00 60.65 59.04 3kzi h LYS 81 Cb 0.18 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.62 3kzi h LYS 81 CO 0.03 0.34 2.95 0.09 -3.45 0.00 0.00 179.45 179.40 3kzi n ASN 82 N -4.49 8.11 0.00 4.20 3.02 0.96 -4.99 115.26 122.08 3kzi n ASN 82 Ca 0.12 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 3kzi n ASN 82 Cb 0.39 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 3kzi n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kzi n ALA 83 N 2.58 0.00 -1.86 5.41 0.00 -1.21 -4.77 120.51 120.65 3kzi n ALA 83 Ca 0.67 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.82 3kzi n ALA 83 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.76 3kzi n ALA 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kzi s PRO 84 N 0.00 2.53 0.04 0.00 0.04 -1.26 -4.86 135.00 131.49 3kzi s PRO 84 Ca 0.00 0.37 0.07 0.00 0.04 0.00 0.00 61.00 61.48 3kzi s PRO 84 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3kzi s PRO 84 CO 0.00 -1.25 -0.19 0.71 0.04 0.00 0.00 177.00 176.31 3kzi s TYR 85 N -3.41 1.68 -1.15 0.56 2.02 -1.26 -5.03 117.35 110.76 3kzi s TYR 85 Ca 0.59 -0.36 0.26 0.00 -0.37 0.00 0.00 57.07 57.19 3kzi s TYR 85 Cb -0.11 -1.00 0.62 0.00 -0.40 0.00 0.00 41.96 41.06 3kzi s TYR 85 CO 0.51 0.07 1.49 -1.91 -1.57 0.00 0.00 175.55 174.14 3kzi n GLU 86 N 1.91 0.17 -3.60 -0.62 4.07 -1.26 -4.89 120.64 116.42 3kzi n GLU 86 Ca -0.17 -0.09 -0.09 0.00 -0.06 0.00 0.00 57.16 56.75 3kzi n GLU 86 Cb 0.54 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.36 3kzi n GLU 86 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3kzi s SER 87 N -2.90 -0.33 0.27 4.31 1.04 -1.26 -5.04 113.70 109.80 3kzi s SER 87 Ca 0.14 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 3kzi s SER 87 Cb 0.18 0.35 0.60 0.00 0.10 0.00 0.00 66.02 67.25 3kzi s SER 87 CO 0.65 -0.26 1.65 0.58 0.98 0.00 0.00 173.24 176.85 3kzi h VAL 88 N 2.68 0.36 -0.57 5.02 2.07 -1.90 -0.82 116.25 123.10 3kzi h VAL 88 Ca -0.19 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.35 3kzi h VAL 88 Cb 1.17 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3kzi h VAL 88 CO 0.26 0.04 0.38 -0.33 0.02 0.00 0.00 177.57 177.94 3kzi h GLU 89 N 0.21 0.40 0.00 1.57 3.07 -1.98 -1.42 114.58 116.42 3kzi h GLU 89 Ca 0.50 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3kzi h GLU 89 Cb 0.95 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3kzi h GLU 89 CO -0.63 0.26 0.32 -0.25 -1.40 0.00 0.00 179.01 177.32 3kzi n ASP 90 N -4.47 0.25 -0.00 1.42 8.00 -0.31 0.72 116.55 122.16 3kzi n ASP 90 Ca 0.09 0.48 -0.13 0.00 0.71 0.00 0.00 54.79 55.94 3kzi n ASP 90 Cb 0.34 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3kzi n ASP 90 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3kzi h VAL 91 N 0.00 1.32 0.00 2.53 3.04 -1.42 -2.43 116.25 119.29 3kzi h VAL 91 Ca 0.00 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.76 3kzi h VAL 91 Cb 0.65 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3kzi h VAL 91 CO 0.00 0.60 0.05 0.18 -1.01 0.00 0.00 177.57 177.39 3kzi n LEU 92 N -3.93 0.29 -1.06 3.16 4.77 0.22 -1.42 117.00 119.03 3kzi n LEU 92 Ca -0.05 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3kzi n LEU 92 Cb 0.68 -0.63 0.27 0.00 -2.33 0.00 0.00 43.42 41.40 3kzi n LEU 92 CO 0.49 -0.71 0.73 -3.20 -1.33 0.00 0.00 177.39 173.37 3kzi n ASN 93 N -1.89 3.12 -4.67 -1.43 5.15 -0.91 -4.94 115.26 109.69 3kzi n ASN 93 Ca -0.01 -1.96 -0.42 0.00 -0.60 0.00 0.00 54.58 51.59 3kzi n ASN 93 Cb 0.07 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 3kzi n ASN 93 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kzi s ILE 94 N -1.38 3.08 -0.01 -1.44 1.01 -0.51 -4.88 121.20 117.06 3kzi s ILE 94 Ca 0.39 0.25 -0.36 0.00 0.00 0.00 0.00 60.65 60.94 3kzi s ILE 94 Cb 0.21 -3.16 -0.14 0.00 0.01 0.00 0.00 42.46 39.38 3kzi s ILE 94 CO 0.29 -0.02 1.65 -0.81 0.00 0.00 0.00 174.94 176.05 3kzi n PRO 95 N 6.87 1.76 0.00 2.79 -0.04 -1.26 -2.55 135.00 142.57 3kzi n PRO 95 Ca 0.18 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3kzi n PRO 95 Cb 0.41 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3kzi n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kzi n GLY 96 N 3.65 2.71 3.22 0.55 0.00 -1.26 -5.03 105.19 109.03 3kzi n GLY 96 Ca 0.21 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.64 3kzi n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kzi n LEU 97 N 0.00 0.96 -4.72 0.99 4.77 -1.06 -4.88 117.00 113.07 3kzi n LEU 97 Ca 0.00 0.93 -0.31 0.00 -0.03 0.00 0.00 56.01 56.60 3kzi n LEU 97 Cb 0.00 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.43 3kzi n LEU 97 CO 0.00 -0.73 0.70 0.42 -1.33 0.00 0.00 177.39 176.44 3kzi s THR 98 N 3.47 2.62 0.50 -5.08 -4.23 -1.26 -4.75 115.64 106.91 3kzi s THR 98 Ca 0.98 0.21 0.19 0.00 -1.18 0.00 0.00 61.69 61.88 3kzi s THR 98 Cb -1.34 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 70.36 3kzi s THR 98 CO 0.69 -0.26 2.05 -0.08 -0.54 0.00 0.00 174.62 176.49 3kzi h GLU 99 N -1.43 0.11 -0.11 3.99 4.57 -2.00 -1.35 114.58 118.37 3kzi h GLU 99 Ca -0.44 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.51 3kzi h GLU 99 Cb 1.25 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3kzi h GLU 99 CO 0.46 0.07 -0.82 -0.09 -1.18 0.00 0.00 179.01 177.46 3kzi h ARG 100 N 0.11 0.74 -0.41 1.92 9.65 -1.99 -2.38 114.38 122.02 3kzi h ARG 100 Ca 0.16 -0.66 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 3kzi h ARG 100 Cb 0.48 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 3kzi h ARG 100 CO -0.02 1.26 0.23 1.96 2.80 0.00 0.00 179.97 186.20 3kzi h GLN 101 N 0.45 0.56 -0.44 0.20 4.20 -1.63 -0.48 115.11 117.97 3kzi h GLN 101 Ca -0.07 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.61 3kzi h GLN 101 Cb 1.46 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.10 3kzi h GLN 101 CO 0.17 0.44 0.30 0.87 -0.67 0.00 0.00 178.83 179.93 3kzi h LYS 102 N 0.53 0.46 0.80 1.46 1.57 -1.30 0.08 116.57 120.18 3kzi h LYS 102 Ca 0.14 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3kzi h LYS 102 Cb 0.03 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3kzi h LYS 102 CO -0.02 0.31 -0.38 0.37 -0.57 0.00 0.00 179.45 179.15 3kzi h GLN 103 N 0.48 -1.04 -0.53 3.15 5.75 -0.65 -1.65 115.11 120.62 3kzi h GLN 103 Ca 0.18 0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.86 3kzi h GLN 103 Cb 0.13 0.24 -0.10 0.00 1.07 0.00 0.00 27.48 28.82 3kzi h GLN 103 CO -0.04 -0.68 -0.09 0.82 -2.65 0.00 0.00 178.83 176.19 3kzi h ILE 104 N -1.25 0.50 -0.29 2.39 2.04 -0.54 -1.44 117.51 118.93 3kzi h ILE 104 Ca -0.11 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3kzi h ILE 104 Cb 0.83 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3kzi h ILE 104 CO 0.18 0.01 -0.01 -0.07 0.00 0.00 0.00 178.15 178.26 3kzi h LEU 105 N 0.04 -0.14 -0.77 1.44 3.38 -0.97 -0.52 115.31 117.76 3kzi h LEU 105 Ca 0.26 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.42 3kzi h LEU 105 Cb 0.40 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 3kzi h LEU 105 CO -0.51 -0.04 0.37 0.03 0.09 0.00 0.00 178.44 178.38 3kzi h ARG 106 N 0.07 0.55 -0.70 1.13 3.08 -0.29 -1.70 114.38 116.53 3kzi h ARG 106 Ca 0.14 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3kzi h ARG 106 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3kzi h ARG 106 CO -0.25 0.37 0.46 0.93 -1.07 0.00 0.00 179.97 180.40 3kzi h GLU 107 N 0.57 0.92 -0.03 0.04 5.08 -0.22 -3.10 114.58 117.85 3kzi h GLU 107 Ca 0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3kzi h GLU 107 Cb 0.53 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kzi h GLU 107 CO -0.34 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 3kzi n ASN 108 N -4.59 1.51 -0.31 1.42 3.02 -0.80 -4.39 115.26 111.12 3kzi n ASN 108 Ca 0.06 -1.51 0.23 0.00 -0.03 0.00 0.00 54.58 53.32 3kzi n ASN 108 Cb 0.02 -0.01 0.52 0.00 -0.61 0.00 0.00 39.78 39.71 3kzi n ASN 108 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3kzi h LEU 109 N 2.33 0.41 -2.10 3.41 3.38 -1.25 0.22 115.31 121.71 3kzi h LEU 109 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kzi h LEU 109 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kzi h LEU 109 CO 0.00 0.10 0.00 1.05 0.09 0.00 0.00 178.44 179.68 3kzi h GLU 110 N 0.37 0.00 -0.02 1.13 4.11 -1.83 0.22 114.58 118.56 3kzi h GLU 110 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3kzi h GLU 110 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 3kzi h GLU 110 CO -0.25 0.00 -0.15 0.72 0.07 0.00 0.00 179.01 179.40 3kzi n HIS 111 N -2.61 0.00 -3.81 2.06 8.25 0.77 -4.94 115.22 114.93 3kzi n HIS 111 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3kzi n HIS 111 Cb 0.05 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 3kzi n HIS 111 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kzi s PHE 112 N -2.19 2.78 0.00 4.41 0.08 0.06 -1.12 117.98 122.01 3kzi s PHE 112 Ca 0.28 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3kzi s PHE 112 Cb 0.20 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3kzi s PHE 112 CO 0.41 0.12 0.00 0.25 -0.10 0.00 0.00 175.22 175.89 3kzi n THR 113 N -1.38 0.00 -3.64 0.64 -2.24 -1.03 -4.83 114.28 101.81 3kzi n THR 113 Ca -0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 3kzi n THR 113 Cb 0.61 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 3kzi n THR 113 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kzi s VAL 114 N -2.78 0.00 0.20 2.28 1.01 -1.26 -2.76 120.40 117.09 3kzi s VAL 114 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3kzi s VAL 114 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3kzi s VAL 114 CO 0.00 0.00 0.18 0.42 0.00 0.00 0.00 175.10 175.70 3kzi s THR 115 N 0.63 0.01 0.28 3.92 -4.23 -1.26 -4.97 115.64 110.03 3kzi s THR 115 Ca -0.01 -1.89 -0.28 0.00 -1.18 0.00 0.00 61.69 58.32 3kzi s THR 115 Cb -0.05 -2.41 -0.14 0.00 1.34 0.00 0.00 72.50 71.24 3kzi s THR 115 CO -0.09 -0.04 0.97 -0.62 -0.54 0.00 0.00 174.62 174.30 3kzi n GLU 116 N -0.27 1.24 -1.90 3.99 1.02 -1.26 -4.74 120.64 118.72 3kzi n GLU 116 Ca 0.01 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 3kzi n GLU 116 Cb 0.65 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3kzi n GLU 116 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kzi s VAL 117 N -1.06 2.61 -0.23 2.62 1.01 -1.26 -4.90 120.40 119.19 3kzi s VAL 117 Ca 0.59 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 3kzi s VAL 117 Cb -0.72 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kzi s VAL 117 CO 0.60 0.02 0.06 -0.70 0.00 0.00 0.00 175.10 175.08 3kzi s GLU 118 N 1.46 3.72 0.09 2.72 2.56 -1.26 -5.01 118.70 122.98 3kzi s GLU 118 Ca 0.72 -0.46 -0.24 0.00 0.00 0.00 0.00 54.97 54.99 3kzi s GLU 118 Cb -0.44 -3.28 -0.14 0.00 2.00 0.00 0.00 34.13 32.28 3kzi s GLU 118 CO 0.32 -0.07 1.71 1.15 -0.56 0.00 0.00 175.26 177.81 3kzi h THR 119 N 5.39 0.85 -0.81 -1.70 2.02 -1.97 -1.64 112.91 115.05 3kzi h THR 119 Ca -0.37 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.04 3kzi h THR 119 Cb 1.18 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3kzi h THR 119 CO 0.60 0.00 0.70 0.00 0.37 0.00 0.00 175.52 177.20 3kzi h ALA 120 N 0.75 2.66 0.00 6.16 0.00 -1.95 0.46 119.26 127.35 3kzi h ALA 120 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kzi h ALA 120 Cb 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kzi h ALA 120 CO -0.01 -1.12 -1.24 1.28 0.00 0.00 0.00 179.25 178.16 3kzi n LEU 121 N -3.89 0.62 -0.04 0.00 4.77 -0.87 -4.54 117.00 113.05 3kzi n LEU 121 Ca 0.17 -0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 3kzi n LEU 121 Cb 0.99 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.97 3kzi n LEU 121 CO 0.33 0.13 -0.79 0.52 -1.33 0.00 0.00 177.39 176.25 3kzi n VAL 122 N -1.82 0.60 -0.42 4.08 0.31 0.37 -4.39 118.33 117.07 3kzi n VAL 122 Ca 0.01 -0.37 -0.28 0.00 -0.01 0.00 0.00 64.34 63.69 3kzi n VAL 122 Cb 0.42 -0.77 0.24 0.00 -0.91 0.00 0.00 33.84 32.83 3kzi n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kzi n GLU 123 N -2.33 -3.27 -0.76 5.55 4.07 0.13 -3.06 120.64 120.98 3kzi n GLU 123 Ca -0.14 -0.95 0.00 0.00 -0.06 0.00 0.00 57.16 56.00 3kzi n GLU 123 Cb 0.78 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 3kzi n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kzi n GLY 124 N 1.75 0.00 2.45 8.31 0.00 -1.26 -1.66 105.19 114.78 3kzi n GLY 124 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3kzi n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzi n GLY 125 N 0.40 1.40 0.05 -0.02 0.00 -1.17 -4.84 105.19 101.01 3kzi n GLY 125 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.75 3kzi n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kzi n ASP 126 N -0.41 0.13 -0.08 1.61 9.92 -0.66 -1.16 116.55 125.90 3kzi n ASP 126 Ca -0.13 0.46 0.14 0.00 -0.53 0.00 0.00 54.79 54.72 3kzi n ASP 126 Cb 0.47 -0.46 0.52 0.00 -0.64 0.00 0.00 41.12 41.01 3kzi n ASP 126 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kzi n ARG 127 N -1.61 0.43 -0.00 -1.24 1.74 -1.26 -3.10 116.66 111.61 3kzi n ARG 127 Ca -0.00 -0.16 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3kzi n ARG 127 Cb 0.14 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 3kzi n ARG 127 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kzi n TYR 128 N -1.15 0.00 -3.14 -1.55 4.01 -0.31 -0.38 117.16 114.65 3kzi n TYR 128 Ca 0.11 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.90 3kzi n TYR 128 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3kzi n TYR 128 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kzi s ASN 129 N -2.62 -0.71 -0.32 7.72 3.84 -1.19 -4.95 114.94 116.72 3kzi s ASN 129 Ca 0.00 0.06 0.10 0.00 0.21 0.00 0.00 52.86 53.23 3kzi s ASN 129 Cb 0.07 1.42 0.76 0.00 -0.55 0.00 0.00 41.25 42.95 3kzi s ASN 129 CO 0.44 -0.13 1.81 -0.46 -2.79 0.00 0.00 177.10 175.97 3kzi n ASN 130 N 5.12 4.96 -0.22 -4.21 0.23 -1.18 -4.38 115.26 115.59 3kzi n ASN 130 Ca 0.08 -3.18 -0.03 0.00 -0.53 0.00 0.00 54.58 50.93 3kzi n ASN 130 Cb 0.57 -0.74 -0.01 0.00 -2.08 0.00 0.00 39.78 37.51 3kzi n ASN 130 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kzi n GLY 131 N -0.05 0.60 3.46 4.83 0.00 -1.26 -5.02 105.19 107.75 3kzi n GLY 131 Ca 0.40 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3kzi n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kzi s LEU 132 N -0.65 2.83 0.00 0.99 1.43 -1.26 -5.10 118.68 116.92 3kzi s LEU 132 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3kzi s LEU 132 Cb 0.00 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3kzi s LEU 132 CO 0.00 0.27 0.00 -1.22 0.23 0.00 0.00 176.35 175.63 3kzi n TYR 133 N 2.81 0.00 1.40 0.29 4.01 -1.26 -5.10 117.16 119.30 3kzi n TYR 133 Ca -0.18 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.68 3kzi n TYR 133 Cb 0.52 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.22 3kzi n TYR 133 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03