#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3f s ARG 0 N 0.00 3.61 -0.04 1.61 1.81 -1.26 -5.00 118.95 119.69 3k3f s ARG 0 Ca 0.00 -0.07 -0.38 0.00 -1.72 0.00 0.00 55.73 53.56 3k3f s ARG 0 Cb 0.00 -2.72 -0.16 0.00 -0.45 0.00 0.00 34.95 31.62 3k3f s ARG 0 CO 0.00 0.30 1.52 0.00 -0.68 0.00 0.00 175.30 176.43 3k3f n ALA 1 N -0.70 -0.50 0.23 2.13 0.00 -1.26 -4.85 120.51 115.55 3k3f n ALA 1 Ca -0.02 0.46 0.13 0.00 0.00 0.00 0.00 53.44 54.00 3k3f n ALA 1 Cb 0.53 -2.16 0.74 0.00 0.00 0.00 0.00 19.45 18.57 3k3f n ALA 1 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3k3f h PHE 2 N 5.74 0.00 0.00 0.00 0.04 -2.05 -2.05 116.94 118.62 3k3f h PHE 2 Ca -0.47 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 3k3f h PHE 2 Cb 1.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 3k3f h PHE 2 CO 0.67 0.00 -0.01 0.78 -0.60 0.00 0.00 178.31 179.15 3k3f h GLY 3 N 0.00 0.00 1.64 -1.45 0.00 -2.05 -2.53 103.07 98.68 3k3f h GLY 3 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.42 3k3f h GLY 3 CO -0.00 0.00 0.14 0.83 0.00 0.00 0.00 176.54 177.51 3k3f h GLU 4 N 0.00 0.00 -0.23 4.80 5.08 -1.74 -0.53 114.58 121.96 3k3f h GLU 4 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3k3f h GLU 4 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3k3f h GLU 4 CO 0.00 0.00 0.27 0.37 -1.00 0.00 0.00 179.01 178.65 3k3f h GLN 5 N 0.00 0.00 0.00 2.33 4.15 -1.65 -1.59 115.11 118.35 3k3f h GLN 5 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 3k3f h GLN 5 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3k3f h GLN 5 CO -0.00 0.00 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.61 3k3f h LEU 6 N 0.00 0.00 -0.03 -2.39 3.38 -1.32 -2.74 115.31 112.20 3k3f h LEU 6 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3k3f h LEU 6 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3k3f h LEU 6 CO -0.00 0.22 -0.15 0.18 0.09 0.00 0.00 178.44 178.77 3k3f n LEU 7 N -3.49 0.21 -4.77 1.67 4.77 -0.60 -4.94 117.00 109.85 3k3f n LEU 7 Ca -0.01 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.89 3k3f n LEU 7 Cb 0.38 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3k3f n LEU 7 CO 0.33 0.05 0.82 -0.54 -1.33 0.00 0.00 177.39 176.71 3k3f s LYS 8 N -2.90 3.47 0.06 3.23 1.02 -1.04 -5.07 119.74 118.51 3k3f s LYS 8 Ca 0.16 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.76 3k3f s LYS 8 Cb 0.19 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3k3f s LYS 8 CO 0.56 -0.78 0.28 0.54 -0.92 0.00 0.00 175.35 175.03 3k3f s ASN 9 N -1.55 -0.06 0.23 2.83 4.22 -1.26 -5.06 114.94 114.30 3k3f s ASN 9 Ca 0.69 -0.33 -0.06 0.00 -2.14 0.00 0.00 52.86 51.03 3k3f s ASN 9 Cb -0.27 0.36 0.41 0.00 1.28 0.00 0.00 41.25 43.02 3k3f s ASN 9 CO 0.32 -0.66 1.73 -0.65 -2.04 0.00 0.00 177.10 175.80 3k3f h PRO 10 N 3.05 0.40 -0.42 3.55 0.11 -1.99 -1.56 132.00 135.14 3k3f h PRO 10 Ca -0.33 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.81 3k3f h PRO 10 Cb 1.20 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3k3f h PRO 10 CO 0.49 0.27 0.17 1.25 -0.21 0.00 0.00 178.00 179.96 3k3f h LEU 11 N 0.42 0.21 -0.46 2.35 5.85 -1.98 0.14 115.31 121.83 3k3f h LEU 11 Ca 0.38 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.97 3k3f h LEU 11 Cb 0.56 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3k3f h LEU 11 CO -0.39 0.15 -0.69 -0.29 -0.34 0.00 0.00 178.44 176.89 3k3f h ILE 12 N 0.35 1.38 -0.55 4.05 6.09 -1.74 -1.39 117.51 125.70 3k3f h ILE 12 Ca 0.19 -2.09 -0.02 0.00 -1.37 0.00 0.00 64.86 61.58 3k3f h ILE 12 Cb 0.16 2.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.48 3k3f h ILE 12 CO -0.18 0.63 0.28 -0.33 -3.07 0.00 0.00 178.15 175.48 3k3f h GLU 13 N 0.27 0.78 -0.60 2.19 5.08 -1.09 -1.98 114.58 119.23 3k3f h GLU 13 Ca -0.02 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3k3f h GLU 13 Cb 1.25 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3k3f h GLU 13 CO 0.12 0.63 0.34 0.35 -1.00 0.00 0.00 179.01 179.44 3k3f h PHE 14 N 0.74 0.63 0.00 4.33 3.04 -0.48 -0.60 116.94 124.60 3k3f h PHE 14 Ca 0.19 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.05 3k3f h PHE 14 Cb 0.09 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3k3f h PHE 14 CO -0.01 0.33 -0.55 0.00 -2.02 0.00 0.00 178.31 176.06 3k3f h ASP 16 N 0.00 0.80 -0.75 0.00 3.58 -1.11 -1.77 116.42 117.18 3k3f h ASP 16 Ca -0.01 -0.55 0.01 0.00 0.42 0.00 0.00 57.03 56.91 3k3f h ASP 16 Cb 1.13 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 3k3f h ASP 16 CO 0.07 1.20 0.49 0.28 -2.88 0.00 0.00 179.24 178.41 3k3f h SER 17 N 0.44 0.85 0.26 2.28 0.02 -0.65 -0.95 113.55 115.79 3k3f h SER 17 Ca 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k3f h SER 17 Cb 1.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3k3f h SER 17 CO 0.10 0.61 -0.12 0.58 -1.14 0.00 0.00 176.83 176.86 3k3f h VAL 18 N 1.00 0.75 -0.51 2.27 2.07 -0.87 0.35 116.25 121.32 3k3f h VAL 18 Ca 0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.81 3k3f h VAL 18 Cb -0.10 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3k3f h VAL 18 CO -0.07 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.85 3k3f h ARG 20 N 0.67 0.90 -0.24 0.00 3.08 -1.16 -0.93 114.38 116.70 3k3f h ARG 20 Ca 0.19 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.25 3k3f h ARG 20 Cb -0.06 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.71 3k3f h ARG 20 CO -0.05 0.60 -0.28 0.78 -1.07 0.00 0.00 179.97 179.95 3k3f h GLY 21 N 0.93 -0.24 0.99 0.04 0.00 0.26 0.29 103.07 105.34 3k3f h GLY 21 Ca 0.33 0.34 0.01 0.00 0.00 0.00 0.00 47.33 48.01 3k3f h GLY 21 CO -0.14 -0.21 0.35 0.00 0.00 0.00 0.00 176.54 176.55 3k3f h GLY 23 N 0.72 1.63 1.60 0.00 0.00 -0.68 -2.20 103.07 104.15 3k3f h GLY 23 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3k3f h GLY 23 CO -0.05 0.08 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 3k3f n GLN 24 N -4.66 0.16 0.18 4.80 1.13 0.05 -1.62 117.38 117.42 3k3f n GLN 24 Ca 0.20 0.18 0.08 0.00 -1.94 0.00 0.00 57.00 55.52 3k3f n GLN 24 Cb 0.45 -1.50 0.59 0.00 0.11 0.00 0.00 30.24 29.89 3k3f n GLN 24 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3k3f h VAL 25 N 0.00 1.00 -0.00 5.09 2.07 -1.43 -1.81 116.25 121.16 3k3f h VAL 25 Ca 0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3k3f h VAL 25 Cb 0.13 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3k3f h VAL 25 CO 0.00 0.02 -0.41 0.23 0.02 0.00 0.00 177.57 177.44 3k3f n MET 26 N -4.51 1.54 -1.69 1.57 2.81 -0.87 -4.97 117.12 110.99 3k3f n MET 26 Ca -0.00 -3.18 -0.15 0.00 -1.81 0.00 0.00 57.70 52.56 3k3f n MET 26 Cb 0.13 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 30.99 3k3f n MET 26 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3k3f n PHE 27 N -1.18 -0.22 -3.53 2.03 3.72 -0.68 -4.95 117.46 112.65 3k3f n PHE 27 Ca 0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 3k3f n PHE 27 Cb 0.68 -2.75 -0.09 0.00 -0.94 0.00 0.00 39.48 36.38 3k3f n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3k3f s GLN 28 N -3.71 2.73 -1.23 -1.08 -1.52 -0.64 -4.89 119.66 109.31 3k3f s GLN 28 Ca 0.00 -1.42 -0.17 0.00 -1.95 0.00 0.00 55.36 51.81 3k3f s GLN 28 Cb 0.00 -3.90 0.10 0.00 -0.22 0.00 0.00 33.01 28.99 3k3f s GLN 28 CO 0.00 -0.98 1.60 1.21 -0.25 0.00 0.00 175.29 176.87 3k3f s ASN 29 N 2.28 6.87 -0.23 5.90 2.47 -1.26 -2.58 114.94 128.39 3k3f s ASN 29 Ca 0.03 -2.50 -0.12 0.00 0.42 0.00 0.00 52.86 50.70 3k3f s ASN 29 Cb -0.23 -2.52 0.08 0.00 -1.45 0.00 0.00 41.25 37.13 3k3f s ASN 29 CO 0.04 -1.07 0.55 0.21 -3.72 0.00 0.00 177.10 173.10 3k3f s ASN 30 N 3.86 -0.72 0.07 -4.21 3.84 -1.26 -5.06 114.94 111.46 3k3f s ASN 30 Ca 0.49 1.22 -0.19 0.00 0.21 0.00 0.00 52.86 54.59 3k3f s ASN 30 Cb 0.01 1.24 -0.10 0.00 -0.55 0.00 0.00 41.25 41.85 3k3f s ASN 30 CO 0.03 -0.22 1.47 0.74 -2.79 0.00 0.00 177.10 176.33 3k3f h THR 31 N 5.45 1.28 -0.70 -5.21 2.02 -1.89 -2.14 112.91 111.73 3k3f h THR 31 Ca -0.30 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 3k3f h THR 31 Cb 1.18 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3k3f h THR 31 CO 0.20 0.32 0.24 0.58 0.37 0.00 0.00 175.52 177.23 3k3f h VAL 32 N 0.18 1.25 -0.23 3.16 2.07 -1.97 0.89 116.25 121.60 3k3f h VAL 32 Ca 0.06 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3k3f h VAL 32 Cb 0.51 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3k3f h VAL 32 CO 0.02 0.33 0.13 0.74 0.02 0.00 0.00 177.57 178.82 3k3f h THR 33 N 1.03 1.10 -0.28 2.57 2.02 -1.76 -0.17 112.91 117.41 3k3f h THR 33 Ca 0.23 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k3f h THR 33 Cb 0.26 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3k3f h THR 33 CO -0.01 0.09 0.18 1.23 0.37 0.00 0.00 175.52 177.38 3k3f h GLY 34 N 0.27 0.39 0.39 2.16 0.00 -1.17 -0.40 103.07 104.72 3k3f h GLY 34 Ca 0.08 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.35 3k3f h GLY 34 CO -0.01 0.14 0.18 -2.00 0.00 0.00 0.00 176.54 174.85 3k3f h LEU 35 N 0.38 0.15 -0.92 3.11 5.85 -0.56 -0.43 115.31 122.88 3k3f h LEU 35 Ca 0.10 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3k3f h LEU 35 Cb -0.04 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3k3f h LEU 35 CO -0.02 0.10 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.74 3k3f h LEU 36 N 0.35 0.00 0.18 2.25 3.38 -0.88 -0.62 115.31 119.96 3k3f h LEU 36 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3k3f h LEU 36 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3k3f h LEU 36 CO -0.31 0.37 -0.08 -0.26 0.09 0.00 0.00 178.44 178.25 3k3f h PHE 37 N 0.00 -0.22 -0.61 1.13 0.04 -0.31 -0.75 116.94 116.22 3k3f h PHE 37 Ca -0.00 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.87 3k3f h PHE 37 Cb 0.90 0.07 -0.08 0.00 2.20 0.00 0.00 35.95 39.04 3k3f h PHE 37 CO 0.00 0.00 0.16 0.74 -0.60 0.00 0.00 178.31 178.62 3k3f h PHE 38 N -0.41 0.27 -0.79 -0.55 0.04 -0.95 -0.85 116.94 113.70 3k3f h PHE 38 Ca -0.02 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.81 3k3f h PHE 38 Cb 0.32 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 3k3f h PHE 38 CO -0.01 0.01 0.51 0.00 -0.60 0.00 0.00 178.31 178.22 3k3f h ALA 39 N 1.47 1.04 -0.28 2.45 0.00 -0.97 0.80 119.26 123.76 3k3f h ALA 39 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3k3f h ALA 39 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3k3f h ALA 39 CO -0.38 0.34 0.17 0.78 0.00 0.00 0.00 179.25 180.16 3k3f h GLY 40 N 1.00 0.42 0.94 0.00 0.00 -0.48 -0.19 103.07 104.78 3k3f h GLY 40 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3k3f h GLY 40 CO -0.10 0.17 0.04 -2.22 0.00 0.00 0.00 176.54 174.43 3k3f h ILE 41 N 0.36 1.07 0.00 2.60 2.04 -0.81 -2.88 117.51 119.88 3k3f h ILE 41 Ca 0.10 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3k3f h ILE 41 Cb 0.03 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3k3f h ILE 41 CO -0.02 0.06 -0.02 -0.26 0.00 0.00 0.00 178.15 177.91 3k3f h PHE 42 N 0.05 0.00 -0.18 1.37 0.04 -0.69 0.65 116.94 118.18 3k3f h PHE 42 Ca 0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 3k3f h PHE 42 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3k3f h PHE 42 CO -0.05 0.02 -0.21 -0.92 -0.60 0.00 0.00 178.31 176.55 3k3f h TYR 43 N 0.00 0.33 0.14 -0.55 3.20 -0.82 -3.20 116.97 116.07 3k3f h TYR 43 Ca -0.00 -0.05 -0.32 0.00 3.14 0.00 0.00 58.73 61.49 3k3f h TYR 43 Cb 0.04 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3k3f h TYR 43 CO 0.00 0.50 -1.66 -0.97 -1.64 0.00 0.00 178.16 174.39 3k3f h ASN 44 N 0.28 0.46 -1.27 -2.11 -1.24 -0.89 -3.47 115.58 107.33 3k3f h ASN 44 Ca 0.05 -0.89 0.12 0.00 0.71 0.00 0.00 56.30 56.28 3k3f h ASN 44 Cb 0.53 -0.15 -0.21 0.00 0.73 0.00 0.00 38.32 39.22 3k3f h ASN 44 CO 0.04 1.73 -0.10 -0.55 -1.29 0.00 0.00 177.43 177.26 3k3f s SER 45 N -7.12 -1.07 0.30 1.15 0.15 0.03 -5.02 113.70 102.11 3k3f s SER 45 Ca -0.19 1.04 0.03 0.00 0.70 0.00 0.00 55.95 57.53 3k3f s SER 45 Cb 0.05 2.05 0.61 0.00 -1.71 0.00 0.00 66.02 67.02 3k3f s SER 45 CO 0.79 -0.20 1.84 0.74 1.20 0.00 0.00 173.24 177.61 3k3f h THR 46 N 5.85 0.89 -0.33 6.45 2.02 -1.79 -1.15 112.91 124.85 3k3f h THR 46 Ca -0.19 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3k3f h THR 46 Cb 1.13 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3k3f h THR 46 CO 0.14 0.17 -0.02 0.74 0.37 0.00 0.00 175.52 176.92 3k3f h THR 47 N 0.94 1.26 -0.43 3.16 2.02 -1.94 -0.73 112.91 117.18 3k3f h THR 47 Ca 0.50 -1.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 3k3f h THR 47 Cb 0.55 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3k3f h THR 47 CO -0.26 0.33 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 3k3f h LEU 48 N 0.39 0.71 -0.30 2.58 3.38 -1.88 -2.25 115.31 117.95 3k3f h LEU 48 Ca 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3k3f h LEU 48 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3k3f h LEU 48 CO 0.02 0.82 -0.02 1.23 0.09 0.00 0.00 178.44 180.58 3k3f h GLY 49 N 0.97 0.59 0.92 0.83 0.00 -0.94 0.94 103.07 106.38 3k3f h GLY 49 Ca 0.13 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3k3f h GLY 49 CO 0.03 0.41 0.41 -2.08 0.00 0.00 0.00 176.54 175.31 3k3f h VAL 50 N 0.33 1.11 -0.06 4.60 2.07 -1.10 -1.84 116.25 121.36 3k3f h VAL 50 Ca 0.08 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 3k3f h VAL 50 Cb 0.47 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3k3f h VAL 50 CO 0.02 0.15 -0.64 0.00 0.02 0.00 0.00 177.57 177.12 3k3f h ALA 52 N 1.18 0.17 -0.13 0.00 0.00 -0.69 -0.91 119.26 118.87 3k3f h ALA 52 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k3f h ALA 52 Cb 1.15 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3k3f h ALA 52 CO 0.10 -0.43 0.08 0.28 0.00 0.00 0.00 179.25 179.28 3k3f h VAL 53 N 0.07 1.08 -0.55 0.00 2.07 -1.01 -1.03 116.25 116.88 3k3f h VAL 53 Ca 0.09 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3k3f h VAL 53 Cb 0.10 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3k3f h VAL 53 CO -0.14 0.07 0.29 0.25 0.02 0.00 0.00 177.57 178.06 3k3f h LEU 54 N 0.13 0.70 -0.46 2.57 5.85 -0.70 0.68 115.31 124.09 3k3f h LEU 54 Ca 0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3k3f h LEU 54 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3k3f h LEU 54 CO -0.01 0.60 0.30 1.23 -0.34 0.00 0.00 178.44 180.22 3k3f h GLY 55 N 0.74 0.64 0.94 3.75 0.00 -1.09 0.02 103.07 108.07 3k3f h GLY 55 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3k3f h GLY 55 CO -0.03 0.23 0.16 -0.84 0.00 0.00 0.00 176.54 176.06 3k3f h THR 56 N 0.62 1.18 -0.54 4.70 2.02 -0.89 -2.44 112.91 117.57 3k3f h THR 56 Ca 0.17 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3k3f h THR 56 Cb -0.07 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3k3f h THR 56 CO -0.04 0.20 0.30 0.00 0.37 0.00 0.00 175.52 176.36 3k3f h ALA 57 N 1.00 0.69 -0.41 6.16 0.00 -0.73 -1.59 119.26 124.39 3k3f h ALA 57 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3k3f h ALA 57 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k3f h ALA 57 CO -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.28 3k3f h ALA 58 N 1.26 0.54 -0.29 0.00 0.00 -0.94 -0.50 119.26 119.33 3k3f h ALA 58 Ca 0.23 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3k3f h ALA 58 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k3f h ALA 58 CO -0.13 0.27 -0.11 0.66 0.00 0.00 0.00 179.25 179.94 3k3f h SER 59 N 0.53 0.60 -0.21 0.00 4.64 -1.42 -1.84 113.55 115.84 3k3f h SER 59 Ca 0.12 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3k3f h SER 59 Cb 0.39 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3k3f h SER 59 CO 0.01 0.85 0.14 0.74 -0.87 0.00 0.00 176.83 177.70 3k3f h THR 60 N 0.34 1.05 -0.44 2.95 2.02 -1.17 -2.07 112.91 115.59 3k3f h THR 60 Ca 0.07 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3k3f h THR 60 Cb 0.61 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3k3f h THR 60 CO 0.04 0.05 0.18 0.25 0.37 0.00 0.00 175.52 176.41 3k3f h LEU 61 N 0.29 0.61 -0.36 2.58 5.85 -1.12 -1.51 115.31 121.65 3k3f h LEU 61 Ca 0.08 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3k3f h LEU 61 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3k3f h LEU 61 CO -0.02 0.61 0.11 0.74 -0.34 0.00 0.00 178.44 179.55 3k3f h THR 62 N 0.57 0.88 -0.42 1.05 2.02 -1.28 0.39 112.91 116.12 3k3f h THR 62 Ca 0.15 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.32 3k3f h THR 62 Cb 0.19 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3k3f h THR 62 CO -0.01 0.05 -0.05 0.00 0.37 0.00 0.00 175.52 175.88 3k3f h ALA 63 N 1.24 0.34 -0.59 6.16 0.00 -1.18 -0.46 119.26 124.76 3k3f h ALA 63 Ca 0.17 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3k3f h ALA 63 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3k3f h ALA 63 CO -0.18 -0.42 0.12 1.96 0.00 0.00 0.00 179.25 180.72 3k3f h GLN 64 N 0.05 0.94 -0.46 0.00 4.20 -0.64 0.17 115.11 119.38 3k3f h GLN 64 Ca 0.20 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3k3f h GLN 64 Cb 0.31 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3k3f h GLN 64 CO -0.39 0.86 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.55 3k3f h LEU 65 N 0.90 0.74 -0.07 1.46 3.38 0.34 -2.18 115.31 119.87 3k3f h LEU 65 Ca 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k3f h LEU 65 Cb 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3k3f h LEU 65 CO 0.00 0.81 -0.20 0.18 0.09 0.00 0.00 178.44 179.33 3k3f n LEU 66 N -4.21 0.30 -2.02 1.67 4.77 -0.24 -4.97 117.00 112.31 3k3f n LEU 66 Ca 0.02 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 3k3f n LEU 66 Cb 0.30 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3k3f n LEU 66 CO 0.41 0.07 0.03 0.61 -1.33 0.00 0.00 177.39 177.18 3k3f n GLY 67 N 1.44 0.14 3.77 -0.72 0.00 -0.44 -5.04 105.19 104.33 3k3f n GLY 67 Ca 0.09 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3k3f n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k3f s VAL 68 N -3.14 2.87 -0.13 1.61 1.01 -0.08 -4.93 120.40 117.61 3k3f s VAL 68 Ca 0.08 0.67 -0.38 0.00 0.00 0.00 0.00 61.98 62.35 3k3f s VAL 68 Cb -0.01 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 3k3f s VAL 68 CO 0.27 0.00 1.62 0.47 0.00 0.00 0.00 175.10 177.47 3k3f n ASP 69 N -0.51 2.25 -0.29 3.32 8.00 -1.26 -4.85 116.55 123.22 3k3f n ASP 69 Ca 0.07 1.08 0.09 0.00 0.71 0.00 0.00 54.79 56.74 3k3f n ASP 69 Cb 0.47 -1.18 0.21 0.00 -0.02 0.00 0.00 41.12 40.59 3k3f n ASP 69 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3k3f h LYS 70 N 6.47 0.09 -0.85 -1.24 3.64 -1.99 -1.28 116.57 121.41 3k3f h LYS 70 Ca -0.47 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.02 3k3f h LYS 70 Cb 1.32 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 3k3f h LYS 70 CO 0.90 0.06 0.55 -1.35 -2.27 0.00 0.00 179.45 177.34 3k3f h PRO 71 N 0.09 0.71 -0.42 1.90 0.11 -1.98 0.22 132.00 132.63 3k3f h PRO 71 Ca 0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 3k3f h PRO 71 Cb 0.90 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3k3f h PRO 71 CO -0.74 0.47 0.14 -0.07 -0.21 0.00 0.00 178.00 177.58 3k3f h LEU 72 N 0.73 0.60 -0.11 2.35 4.07 -1.60 -1.36 115.31 119.98 3k3f h LEU 72 Ca 0.41 -0.20 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 3k3f h LEU 72 Cb 0.58 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3k3f h LEU 72 CO -0.18 0.63 -0.08 0.58 -1.08 0.00 0.00 178.44 178.31 3k3f h VAL 73 N 0.53 1.34 0.00 1.22 2.07 -1.30 -2.67 116.25 117.44 3k3f h VAL 73 Ca 0.14 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3k3f h VAL 73 Cb 0.24 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3k3f h VAL 73 CO -0.01 0.34 -0.08 0.03 0.02 0.00 0.00 177.57 177.88 3k3f h ARG 74 N -0.14 0.00 0.00 1.57 3.08 -0.53 -0.52 114.38 117.84 3k3f h ARG 74 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k3f h ARG 74 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3k3f h ARG 74 CO 0.02 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 3k3f n ALA 75 N -2.43 2.66 -1.03 0.04 0.00 -0.52 -4.72 120.51 114.51 3k3f n ALA 75 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 3k3f n ALA 75 Cb 0.16 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 3k3f n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3f n GLY 76 N 0.95 0.43 0.13 0.00 0.00 -0.20 -4.64 105.19 101.85 3k3f n GLY 76 Ca 0.23 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3k3f n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k3f n LEU 77 N -0.11 0.71 -0.83 0.99 4.77 -1.02 -1.70 117.00 119.80 3k3f n LEU 77 Ca -0.01 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.70 3k3f n LEU 77 Cb 0.16 -0.55 0.21 0.00 -2.33 0.00 0.00 43.42 40.91 3k3f n LEU 77 CO 0.02 -0.54 0.68 0.49 -1.33 0.00 0.00 177.39 176.71 3k3f n PHE 78 N -2.27 0.75 -0.11 -1.77 3.72 -1.26 -4.58 117.46 111.94 3k3f n PHE 78 Ca 0.02 -0.65 -0.15 0.00 -0.05 0.00 0.00 57.45 56.62 3k3f n PHE 78 Cb 0.25 -0.16 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 3k3f n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k3f n GLY 79 N 0.20 -0.30 0.29 1.37 0.00 -0.69 -2.95 105.19 103.11 3k3f n GLY 79 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3k3f n GLY 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3k3f h PHE 80 N -0.03 1.08 0.00 1.61 -0.00 -1.48 0.15 116.94 118.27 3k3f h PHE 80 Ca -0.49 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.97 57.29 3k3f h PHE 80 Cb 1.75 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 37.39 3k3f h PHE 80 CO 0.02 0.93 -0.20 -0.91 -0.00 0.00 0.00 178.31 178.15 3k3f h ASN 81 N 0.92 0.00 0.39 -0.68 2.35 -1.88 -2.42 115.58 114.27 3k3f h ASN 81 Ca 0.19 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.75 3k3f h ASN 81 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3k3f h ASN 81 CO 0.01 0.20 -0.80 1.23 -1.65 0.00 0.00 177.43 176.43 3k3f h GLY 82 N 0.75 0.35 0.74 2.83 0.00 -1.01 -1.93 103.07 104.79 3k3f h GLY 82 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.80 3k3f h GLY 82 CO 0.03 0.48 -0.14 -0.84 0.00 0.00 0.00 176.54 176.07 3k3f h THR 83 N 0.20 0.68 -0.53 4.70 2.02 -0.64 -1.54 112.91 117.79 3k3f h THR 83 Ca -0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3k3f h THR 83 Cb 1.39 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3k3f h THR 83 CO 0.13 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 176.00 3k3f h LEU 84 N -0.26 0.82 -1.04 2.58 3.38 -1.45 -2.19 115.31 117.15 3k3f h LEU 84 Ca 0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3k3f h LEU 84 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3k3f h LEU 84 CO -0.09 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.31 3k3f h ALA 85 N 1.25 1.21 -0.27 1.53 0.00 -1.17 0.02 119.26 121.82 3k3f h ALA 85 Ca 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3k3f h ALA 85 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3k3f h ALA 85 CO 0.01 0.52 -0.01 0.78 0.00 0.00 0.00 179.25 180.55 3k3f h GLY 86 N 0.93 0.53 1.00 0.00 0.00 -1.05 -3.32 103.07 101.17 3k3f h GLY 86 Ca 0.14 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3k3f h GLY 86 CO 0.01 0.37 -0.50 -2.22 0.00 0.00 0.00 176.54 174.20 3k3f h ILE 87 N 0.27 1.32 -0.94 2.60 2.04 -1.02 -3.37 117.51 118.41 3k3f h ILE 87 Ca 0.08 -1.74 0.03 0.00 1.00 0.00 0.00 64.86 64.23 3k3f h ILE 87 Cb 0.45 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3k3f h ILE 87 CO 0.02 0.54 0.62 0.00 0.00 0.00 0.00 178.15 179.33 3k3f h ALA 88 N 0.58 1.37 0.13 1.87 0.00 -1.10 -2.62 119.26 119.49 3k3f h ALA 88 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k3f h ALA 88 Cb 1.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k3f h ALA 88 CO 0.11 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 3k3f h LEU 89 N 1.22 -0.15 -0.94 0.00 3.38 -1.72 -1.97 115.31 115.12 3k3f h LEU 89 Ca 0.36 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3k3f h LEU 89 Cb -0.04 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k3f h LEU 89 CO -0.10 0.04 0.00 -0.65 0.09 0.00 0.00 178.44 177.82 3k3f h PRO 90 N -0.35 0.00 -0.49 1.13 0.11 -1.76 -0.64 132.00 130.01 3k3f h PRO 90 Ca -0.02 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3k3f h PRO 90 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3k3f h PRO 90 CO 0.03 0.00 -0.19 0.35 -0.21 0.00 0.00 178.00 177.98 3k3f h PHE 91 N 0.00 1.13 0.00 0.65 3.57 -1.20 -3.37 116.94 117.71 3k3f h PHE 91 Ca 0.00 -0.27 -0.34 0.00 3.53 0.00 0.00 57.97 60.89 3k3f h PHE 91 Cb 0.57 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 3k3f h PHE 91 CO 0.00 1.09 -2.31 1.19 -2.23 0.00 0.00 178.31 176.05 3k3f n PHE 92 N -4.14 0.00 -4.43 0.41 3.72 -0.77 -4.94 117.46 107.31 3k3f n PHE 92 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 3k3f n PHE 92 Cb 0.44 -0.94 -0.11 0.00 -0.94 0.00 0.00 39.48 37.94 3k3f n PHE 92 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k3f s PHE 93 N -2.49 2.70 0.70 1.38 0.08 -0.26 -0.25 117.98 119.85 3k3f s PHE 93 Ca -0.09 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 3k3f s PHE 93 Cb 0.06 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3k3f s PHE 93 CO 0.79 0.35 1.15 -0.80 -0.10 0.00 0.00 175.22 176.61 3k3f s ASN 94 N -1.76 4.64 0.33 1.36 0.01 -0.10 -4.48 114.94 114.94 3k3f s ASN 94 Ca 0.18 2.15 -0.29 0.00 -0.71 0.00 0.00 52.86 54.18 3k3f s ASN 94 Cb -0.11 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 38.88 3k3f s ASN 94 CO 0.09 -1.96 1.51 -0.47 -1.51 0.00 0.00 177.10 174.77 3k3f s TYR 95 N -2.22 2.72 0.05 2.20 6.14 -1.26 -4.59 117.35 120.39 3k3f s TYR 95 Ca 0.70 1.01 -0.03 0.00 0.64 0.00 0.00 57.07 59.39 3k3f s TYR 95 Cb -0.24 -4.00 -0.03 0.00 0.42 0.00 0.00 41.96 38.11 3k3f s TYR 95 CO 0.44 -3.14 0.03 -1.21 0.64 0.00 0.00 175.55 172.31 3k3f s GLU 96 N -1.28 0.63 0.29 4.97 8.01 -1.26 -4.99 118.70 125.06 3k3f s GLU 96 Ca 0.57 -1.06 0.02 0.00 0.01 0.00 0.00 54.97 54.52 3k3f s GLU 96 Cb -0.46 0.23 0.62 0.00 -4.31 0.00 0.00 34.13 30.20 3k3f s GLU 96 CO 0.55 -0.14 1.80 -1.35 0.01 0.00 0.00 175.26 176.12 3k3f h PRO 97 N 3.25 0.81 0.00 0.39 0.11 -1.97 0.15 132.00 134.74 3k3f h PRO 97 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3k3f h PRO 97 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3k3f h PRO 97 CO 0.60 0.53 0.08 0.00 -0.21 0.00 0.00 178.00 179.00 3k3f n ALA 98 N -2.35 0.88 -0.21 -0.75 0.00 -1.26 -3.67 120.51 113.15 3k3f n ALA 98 Ca 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 3k3f n ALA 98 Cb 0.45 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 19.02 3k3f n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3k3f h MET 99 N 0.00 0.46 -0.69 0.00 -1.53 -1.09 -1.23 114.93 110.85 3k3f h MET 99 Ca 0.00 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 3k3f h MET 99 Cb 0.16 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.07 3k3f h MET 99 CO 0.00 0.31 0.17 -0.07 0.14 0.00 0.00 176.91 177.46 3k3f h LEU 100 N 0.48 1.05 -0.60 3.39 4.07 -1.81 0.43 115.31 122.32 3k3f h LEU 100 Ca 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 3k3f h LEU 100 Cb 0.32 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 3k3f h LEU 100 CO -0.27 1.01 0.28 1.23 -1.08 0.00 0.00 178.44 179.62 3k3f h GLY 101 N 1.04 0.94 1.31 0.83 0.00 -1.63 -1.74 103.07 103.82 3k3f h GLY 101 Ca 0.22 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3k3f h GLY 101 CO 0.00 0.45 -0.24 -1.82 0.00 0.00 0.00 176.54 174.93 3k3f h TYR 102 N 0.83 0.90 -0.07 5.60 3.20 -0.67 -1.18 116.97 125.58 3k3f h TYR 102 Ca 0.21 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3k3f h TYR 102 Cb 0.13 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3k3f h TYR 102 CO 0.00 0.95 -0.03 0.28 -1.64 0.00 0.00 178.16 177.73 3k3f h VAL 103 N 0.69 0.91 -0.50 1.81 2.07 -0.86 0.16 116.25 120.52 3k3f h VAL 103 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3k3f h VAL 103 Cb 0.76 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3k3f h VAL 103 CO 0.06 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.88 3k3f h ALA 104 N 1.06 0.63 -0.23 1.67 0.00 -1.08 0.23 119.26 121.54 3k3f h ALA 104 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k3f h ALA 104 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k3f h ALA 104 CO -0.08 -0.15 0.08 1.25 0.00 0.00 0.00 179.25 180.35 3k3f h LEU 105 N 0.44 0.10 -0.68 0.00 5.85 -1.09 0.16 115.31 120.08 3k3f h LEU 105 Ca 0.23 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3k3f h LEU 105 Cb 0.19 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3k3f h LEU 105 CO -0.19 0.09 0.36 -1.13 -0.34 0.00 0.00 178.44 177.22 3k3f h ASN 106 N 0.19 0.86 -0.43 1.25 -1.24 -0.38 -0.43 115.58 115.41 3k3f h ASN 106 Ca 0.10 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3k3f h ASN 106 Cb 0.06 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 3k3f h ASN 106 CO -0.10 0.72 0.17 1.23 -1.29 0.00 0.00 177.43 178.17 3k3f h GLY 107 N 0.93 0.68 0.93 1.57 0.00 -0.75 -1.71 103.07 104.73 3k3f h GLY 107 Ca 0.24 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3k3f h GLY 107 CO -0.04 0.35 0.29 0.00 0.00 0.00 0.00 176.54 177.14 3k3f h ALA 108 N 1.02 0.59 -0.94 3.60 0.00 -0.34 -2.88 119.26 120.30 3k3f h ALA 108 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3k3f h ALA 108 Cb 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3k3f h ALA 108 CO -0.01 -0.01 0.61 0.35 0.00 0.00 0.00 179.25 180.19 3k3f h PHE 109 N 0.58 1.16 -0.65 0.00 -0.00 -0.91 -2.13 116.94 114.99 3k3f h PHE 109 Ca 0.18 0.03 0.12 0.00 -0.00 0.00 0.00 57.97 58.29 3k3f h PHE 109 Cb -0.02 -0.39 -0.04 0.00 -0.00 0.00 0.00 35.95 35.50 3k3f h PHE 109 CO -0.06 0.69 0.44 1.79 -0.00 0.00 0.00 178.31 181.17 3k3f h THR 110 N 1.22 0.86 -0.32 4.41 1.35 -1.09 -2.00 112.91 117.33 3k3f h THR 110 Ca 0.36 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.95 3k3f h THR 110 Cb -0.06 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 66.77 3k3f h THR 110 CO -0.10 0.07 -0.29 0.74 -0.25 0.00 0.00 175.52 175.70 3k3f h THR 111 N 0.41 1.29 -0.33 6.82 2.02 -1.33 0.15 112.91 121.93 3k3f h THR 111 Ca 0.31 -1.45 0.07 0.00 0.77 0.00 0.00 66.41 66.11 3k3f h THR 111 Cb 0.65 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.50 3k3f h THR 111 CO -0.09 0.47 -0.13 0.40 0.37 0.00 0.00 175.52 176.54 3k3f h ILE 112 N 0.52 0.57 -0.08 3.11 1.08 -1.29 -2.15 117.51 119.27 3k3f h ILE 112 Ca 0.05 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.35 3k3f h ILE 112 Cb 0.86 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3k3f h ILE 112 CO 0.07 0.00 -0.71 0.40 -0.69 0.00 0.00 178.15 177.22 3k3f h ILE 113 N -0.07 1.38 -0.15 -0.67 2.04 -1.10 -0.20 117.51 118.74 3k3f h ILE 113 Ca 0.17 -2.13 0.03 0.00 1.00 0.00 0.00 64.86 63.93 3k3f h ILE 113 Cb 0.32 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 3k3f h ILE 113 CO -0.38 0.64 -0.06 -0.03 0.00 0.00 0.00 178.15 178.32 3k3f h MET 114 N 0.26 -0.03 -0.81 2.37 4.05 -0.60 0.13 114.93 120.31 3k3f h MET 114 Ca -0.03 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.44 3k3f h MET 114 Cb 1.28 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.03 3k3f h MET 114 CO 0.12 -0.02 0.50 0.00 0.23 0.00 0.00 176.91 177.75 3k3f h ALA 115 N 1.12 1.09 -0.20 0.39 0.00 -1.09 0.27 119.26 120.83 3k3f h ALA 115 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k3f h ALA 115 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3k3f h ALA 115 CO -0.18 0.28 0.03 0.77 0.00 0.00 0.00 179.25 180.15 3k3f h SER 116 N 0.95 -0.00 0.65 0.00 0.02 -0.50 -2.07 113.55 112.60 3k3f h SER 116 Ca 0.34 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.10 3k3f h SER 116 Cb 0.10 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3k3f h SER 116 CO -0.15 0.03 -0.99 -0.07 -1.14 0.00 0.00 176.83 174.51 3k3f h LEU 117 N 0.11 0.27 -0.81 5.07 3.38 -0.78 0.64 115.31 123.19 3k3f h LEU 117 Ca 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3k3f h LEU 117 Cb 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3k3f h LEU 117 CO -0.12 1.11 0.37 -0.07 0.09 0.00 0.00 178.44 179.81 3k3f h LEU 118 N 0.09 1.08 -0.03 1.67 3.38 -0.92 0.20 115.31 120.77 3k3f h LEU 118 Ca -0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3k3f h LEU 118 Cb 1.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3k3f h LEU 118 CO 0.15 0.93 0.01 -1.13 0.09 0.00 0.00 178.44 178.48 3k3f h ASN 119 N 1.15 0.05 0.79 -0.43 -1.24 -1.26 -2.14 115.58 112.50 3k3f h ASN 119 Ca 0.27 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 3k3f h ASN 119 Cb 0.15 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.20 3k3f h ASN 119 CO -0.03 0.29 -0.38 0.15 -1.29 0.00 0.00 177.43 176.17 3k3f h PHE 120 N -0.20 -0.98 0.00 0.67 3.04 -0.70 -3.30 116.94 115.47 3k3f h PHE 120 Ca 0.01 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 3k3f h PHE 120 Cb 0.26 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3k3f h PHE 120 CO 0.01 -0.60 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.44 3k3f h LEU 121 N -1.25 0.00 -2.08 0.59 3.38 -0.76 -3.27 115.31 111.91 3k3f h LEU 121 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3k3f h LEU 121 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3k3f h LEU 121 CO 0.18 0.19 -0.07 1.23 0.09 0.00 0.00 178.44 180.05 3k3f h GLY 122 N 2.70 0.00 1.87 0.83 0.00 -1.46 -0.43 103.07 106.59 3k3f h GLY 122 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3k3f h GLY 122 CO 0.02 0.00 0.06 0.50 0.00 0.00 0.00 176.54 177.12 3k3f h LYS 123 N 0.00 0.00 -0.33 4.80 1.79 -1.72 -0.31 116.57 120.81 3k3f h LYS 123 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k3f h LYS 123 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3k3f h LYS 123 CO 0.01 0.00 0.00 0.91 -1.08 0.00 0.00 179.45 179.29 3k3f n TRP 124 N -3.47 0.44 -1.86 -1.35 8.01 -0.18 -4.99 117.44 114.04 3k3f n TRP 124 Ca -0.02 -0.49 -0.16 0.00 -1.31 0.00 0.00 57.50 55.52 3k3f n TRP 124 Cb 0.14 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 29.37 3k3f n TRP 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k3f n GLY 125 N 0.48 0.68 3.70 6.99 0.00 -0.13 -5.00 105.19 111.92 3k3f n GLY 125 Ca 0.11 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3k3f n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k3f s VAL 126 N -2.68 5.03 0.68 1.61 1.01 -1.13 -4.38 120.40 120.54 3k3f s VAL 126 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 3k3f s VAL 126 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3k3f s VAL 126 CO 0.00 0.49 1.09 -2.16 0.00 0.00 0.00 175.10 174.52 3k3f s PRO 127 N 0.07 2.79 0.37 2.72 0.04 -1.26 -4.23 135.00 135.50 3k3f s PRO 127 Ca 0.07 1.24 0.20 0.00 0.04 0.00 0.00 61.00 62.55 3k3f s PRO 127 Cb -0.12 -1.96 0.40 0.00 0.04 0.00 0.00 34.50 32.87 3k3f s PRO 127 CO 0.00 -1.24 1.61 0.00 0.04 0.00 0.00 177.00 177.41 3k3f h ALA 128 N -0.28 0.86 -0.62 8.56 0.00 -1.95 -3.49 119.26 122.34 3k3f h ALA 128 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3k3f h ALA 128 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k3f h ALA 128 CO 0.54 0.35 0.00 1.28 0.00 0.00 0.00 179.25 181.42 3k3f n LEU 129 N -3.22 0.00 -1.53 0.00 4.77 -1.26 -2.47 117.00 113.28 3k3f n LEU 129 Ca 0.02 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 3k3f n LEU 129 Cb 0.59 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 42.00 3k3f n LEU 129 CO 0.36 0.00 0.77 0.35 -1.33 0.00 0.00 177.39 177.55 3k3f n THR 130 N 0.00 1.89 -0.32 -5.08 -2.24 -1.26 -4.41 114.28 102.87 3k3f n THR 130 Ca 0.00 -1.09 0.04 0.00 -2.27 0.00 0.00 64.05 60.73 3k3f n THR 130 Cb 0.00 -0.08 0.19 0.00 -2.10 0.00 0.00 70.33 68.34 3k3f n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k3f h ALA 131 N 3.87 1.28 -0.21 6.98 0.00 -1.87 -1.74 119.26 127.58 3k3f h ALA 131 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3k3f h ALA 131 Cb 1.48 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3k3f h ALA 131 CO 0.29 0.16 -0.02 -1.35 0.00 0.00 0.00 179.25 178.33 3k3f h PRO 132 N 0.88 0.04 -0.53 0.00 0.11 -1.78 -0.78 132.00 129.93 3k3f h PRO 132 Ca 0.43 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.60 3k3f h PRO 132 Cb 0.38 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 3k3f h PRO 132 CO -0.25 0.02 0.22 0.35 -0.21 0.00 0.00 178.00 178.14 3k3f h PHE 133 N 0.04 0.38 -0.46 0.65 3.57 -1.72 -2.18 116.94 117.22 3k3f h PHE 133 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3k3f h PHE 133 Cb 0.14 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3k3f h PHE 133 CO -0.20 0.14 0.02 0.28 -2.23 0.00 0.00 178.31 176.32 3k3f h VAL 134 N 0.41 1.26 -0.08 1.41 2.07 -0.86 -1.71 116.25 118.75 3k3f h VAL 134 Ca 0.25 -1.02 -0.22 0.00 0.82 0.00 0.00 66.70 66.53 3k3f h VAL 134 Cb 0.26 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3k3f h VAL 134 CO -0.24 0.36 -0.82 -0.07 0.02 0.00 0.00 177.57 176.82 3k3f h LEU 135 N 0.66 0.85 -0.11 2.57 3.38 -1.13 -0.00 115.31 121.52 3k3f h LEU 135 Ca 0.13 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 3k3f h LEU 135 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k3f h LEU 135 CO 0.02 1.41 0.05 0.00 0.09 0.00 0.00 178.44 180.01 3k3f h ALA 136 N 0.46 0.14 -0.57 1.53 0.00 -1.45 -1.98 119.26 117.40 3k3f h ALA 136 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3k3f h ALA 136 Cb 1.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3k3f h ALA 136 CO 0.17 -0.29 0.23 1.15 0.00 0.00 0.00 179.25 180.51 3k3f h THR 137 N 0.04 1.22 -0.48 0.00 2.02 -1.18 -1.24 112.91 113.29 3k3f h THR 137 Ca 0.04 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.56 3k3f h THR 137 Cb 0.14 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3k3f h THR 137 CO -0.00 0.27 0.24 -0.50 0.37 0.00 0.00 175.52 175.90 3k3f h TRP 138 N 0.79 0.45 -0.56 3.16 6.55 -0.99 0.39 115.95 125.73 3k3f h TRP 138 Ca 0.19 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 60.01 3k3f h TRP 138 Cb 0.20 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 3k3f h TRP 138 CO 0.01 0.22 0.18 -0.07 -1.05 0.00 0.00 178.44 177.73 3k3f h LEU 139 N 0.48 0.77 0.00 -4.49 3.38 -0.94 -0.04 115.31 114.47 3k3f h LEU 139 Ca 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k3f h LEU 139 Cb 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3k3f h LEU 139 CO -0.14 0.72 -0.13 -0.07 0.09 0.00 0.00 178.44 178.91 3k3f h LEU 140 N 0.81 0.00 0.05 1.67 3.38 -0.81 -3.39 115.31 117.02 3k3f h LEU 140 Ca 0.19 -0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.77 3k3f h LEU 140 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3k3f h LEU 140 CO -0.01 0.00 -2.26 0.23 0.09 0.00 0.00 178.44 176.49 3k3f n MET 141 N -3.01 0.68 -0.14 1.13 2.81 0.13 -4.62 117.12 114.10 3k3f n MET 141 Ca 0.04 0.22 0.05 0.00 -1.81 0.00 0.00 57.70 56.19 3k3f n MET 141 Cb 0.53 -1.60 0.36 0.00 -0.71 0.00 0.00 33.22 31.80 3k3f n MET 141 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3k3f h PHE 142 N -0.09 0.71 0.00 2.03 -1.00 -1.21 -2.48 116.94 114.91 3k3f h PHE 142 Ca -0.52 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.27 3k3f h PHE 142 Cb 1.90 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 41.22 3k3f h PHE 142 CO 0.04 0.41 0.00 0.41 -1.61 0.00 0.00 178.31 177.56 3k3f n GLY 143 N -1.45 -0.88 0.27 -1.45 0.00 -1.26 -4.17 105.19 96.24 3k3f n GLY 143 Ca 0.08 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3k3f n GLY 143 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k3f h VAL 144 N 0.00 0.86 0.00 1.61 3.04 -1.63 0.19 116.25 120.31 3k3f h VAL 144 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3k3f h VAL 144 Cb 0.00 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3k3f h VAL 144 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.57 178.44 3k3f h TYR 145 N 0.00 0.00 0.00 3.17 0.05 -1.85 -3.22 116.97 115.12 3k3f h TYR 145 Ca 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 3k3f h TYR 145 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3k3f h TYR 145 CO 0.00 0.00 -1.55 1.63 -1.05 0.00 0.00 178.16 177.19 3k3f n LYS 146 N -2.71 1.01 -3.92 4.88 5.02 0.46 -4.84 118.16 118.08 3k3f n LYS 146 Ca 0.01 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.93 3k3f n LYS 146 Cb 0.26 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3k3f n LYS 146 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k3f s LEU 147 N -4.07 3.59 -0.05 -0.35 1.43 -0.06 -5.03 118.68 114.14 3k3f s LEU 147 Ca -0.04 -1.83 0.05 0.00 -1.03 0.00 0.00 54.13 51.28 3k3f s LEU 147 Cb 0.06 -1.31 0.25 0.00 0.03 0.00 0.00 46.19 45.21 3k3f s LEU 147 CO 0.43 -0.37 0.97 -1.20 0.23 0.00 0.00 176.35 176.42 3k3f n SER 148 N 4.51 2.15 -0.07 2.29 7.64 -1.26 -4.33 113.62 124.56 3k3f n SER 148 Ca -0.01 -2.21 -0.09 0.00 1.01 0.00 0.00 58.87 57.57 3k3f n SER 148 Cb 0.42 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3k3f n SER 148 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k3f h LEU 149 N 1.30 0.30-10.24 -3.43 5.85 -1.96 -3.41 115.31 103.72 3k3f h LEU 149 Ca 0.00 -0.02 -0.46 0.00 0.84 0.00 0.00 57.88 58.24 3k3f h LEU 149 Cb 0.79 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3k3f h LEU 149 CO 0.11 0.22 -0.31 -0.36 -0.34 0.00 0.00 178.44 177.77 3k3f s PHE 150 N -6.14 3.41 -0.08 1.25 0.08 -1.26 -4.95 117.98 110.29 3k3f s PHE 150 Ca -0.13 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.06 3k3f s PHE 150 Cb 0.09 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3k3f s PHE 150 CO 0.70 0.20 -0.18 -1.01 -0.10 0.00 0.00 175.22 174.84 3k3f s HIS 151 N -2.17 1.96 0.50 0.36 3.76 -1.26 -4.97 115.29 113.48 3k3f s HIS 151 Ca 0.39 -0.74 -0.20 0.00 -0.15 0.00 0.00 55.06 54.36 3k3f s HIS 151 Cb -0.09 -1.35 -0.08 0.00 1.11 0.00 0.00 32.58 32.17 3k3f s HIS 151 CO 0.32 -0.32 1.06 -1.25 -0.85 0.00 0.00 174.74 173.71 3k3f s PRO 152 N 0.42 3.68 1.06 8.40 0.04 -1.26 -0.92 135.00 146.41 3k3f s PRO 152 Ca -0.14 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 3k3f s PRO 152 Cb -0.16 -2.07 0.23 0.00 0.04 0.00 0.00 34.50 32.54 3k3f s PRO 152 CO 0.06 -0.54 1.22 0.20 0.04 0.00 0.00 177.00 177.97 3k3f s GLY 153 N -1.93 1.68 0.10 0.56 0.00 0.65 -4.66 107.32 103.72 3k3f s GLY 153 Ca 0.69 -1.04 0.21 0.00 0.00 0.00 0.00 44.72 44.57 3k3f s GLY 153 CO 0.22 -0.24 1.64 0.00 0.00 0.00 0.00 173.10 174.72 3k3f n ALA 154 N -4.18 1.82 0.30 3.20 0.00 -1.26 -1.80 120.51 118.59 3k3f n ALA 154 Ca 0.14 -0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.74 3k3f n ALA 154 Cb 0.59 -1.34 0.78 0.00 0.00 0.00 0.00 19.45 19.48 3k3f n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k3f h LEU 155 N 0.00 0.00 -8.03 0.00 3.38 -1.92 -3.41 115.31 105.32 3k3f h LEU 155 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 3k3f h LEU 155 Cb 0.37 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.84 3k3f h LEU 155 CO 0.00 0.00 -0.37 -0.63 0.09 0.00 0.00 178.44 177.53 3k3f s ILE 156 N -3.71 4.44 -0.30 1.22 1.01 -0.75 -4.92 121.20 118.19 3k3f s ILE 156 Ca -0.00 -1.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.03 3k3f s ILE 156 Cb 0.10 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.85 3k3f s ILE 156 CO 0.44 -0.72 0.27 0.00 0.00 0.00 0.00 174.94 174.93 3k3f s ALA 157 N 1.43 -0.20 0.26 9.38 0.00 -1.23 -4.87 121.76 126.53 3k3f s ALA 157 Ca 0.05 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 3k3f s ALA 157 Cb -0.26 -1.76 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 3k3f s ALA 157 CO 0.01 -1.79 1.65 -2.30 0.00 0.00 0.00 175.76 173.33 3k3f n PRO 158 N 5.08 2.74 -3.55 0.00 -0.02 -1.26 -4.47 135.00 133.52 3k3f n PRO 158 Ca -0.00 0.98 -0.17 0.00 -2.02 0.00 0.00 63.50 62.29 3k3f n PRO 158 Cb 0.45 -2.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 3k3f n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k3f s ALA 159 N 0.42 -1.77 0.44 3.55 0.00 -0.59 -4.88 121.76 118.93 3k3f s ALA 159 Ca 0.68 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 3k3f s ALA 159 Cb -0.50 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.26 3k3f s ALA 159 CO 0.43 -0.36 1.20 -0.51 0.00 0.00 0.00 175.76 176.52 3k3f s LEU 160 N -0.82 4.09 0.70 0.00 1.43 -1.26 -2.74 118.68 120.09 3k3f s LEU 160 Ca -0.08 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 3k3f s LEU 160 Cb -0.01 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.11 3k3f s LEU 160 CO 0.08 -0.87 1.10 -2.16 0.23 0.00 0.00 176.35 174.72 3k3f s PRO 161 N -2.50 2.64 0.15 1.29 0.04 -1.26 -4.98 135.00 130.38 3k3f s PRO 161 Ca 0.61 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 3k3f s PRO 161 Cb -0.32 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3k3f s PRO 161 CO 0.39 -1.36 0.47 -1.54 0.04 0.00 0.00 177.00 175.01 3k3f s SER 162 N -2.99 -0.32 0.58 6.66 1.04 -1.26 -5.17 113.70 112.25 3k3f s SER 162 Ca 0.64 -0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.59 3k3f s SER 162 Cb -0.18 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 3k3f s SER 162 CO 0.48 -0.93 1.14 0.52 0.98 0.00 0.00 173.24 175.43 3k3f n VAL 163 N -0.29 3.88 -1.76 5.02 0.31 -1.26 -5.24 118.33 118.99 3k3f n VAL 163 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3k3f n VAL 163 Cb 0.64 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 3k3f n VAL 163 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3k3f n ASP 168 N -0.94 0.17 0.21 4.52 2.03 -1.26 -5.28 116.55 116.01 3k3f n ASP 168 Ca 0.13 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.54 3k3f n ASP 168 Cb 0.46 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.16 3k3f n ASP 168 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3k3f h MET 169 N 0.00 0.00 0.00 -0.67 2.86 -1.98 -3.44 114.93 111.70 3k3f h MET 169 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k3f h MET 169 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k3f h MET 169 CO 0.00 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.54 3k3f n GLY 170 N 0.72 -1.24 2.78 8.32 0.00 -1.26 -1.71 105.19 112.80 3k3f n GLY 170 Ca 0.02 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 3k3f n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3f s THR 171 N 0.00 0.28 0.12 2.61 2.01 -1.26 -4.86 115.64 114.54 3k3f s THR 171 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3k3f s THR 171 Cb 0.00 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 72.02 3k3f s THR 171 CO 0.00 0.22 1.17 -0.69 -0.69 0.00 0.00 174.62 174.64 3k3f s VAL 172 N 1.71 3.86 0.30 3.82 1.01 -1.26 -4.94 120.40 124.90 3k3f s VAL 172 Ca 0.00 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.49 3k3f s VAL 172 Cb -0.13 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3k3f s VAL 172 CO -0.04 0.18 0.21 0.42 0.00 0.00 0.00 175.10 175.88 3k3f s THR 173 N 0.43 0.08 0.34 3.92 -4.23 -1.26 -5.01 115.64 109.92 3k3f s THR 173 Ca 0.55 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3k3f s THR 173 Cb -0.30 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.36 3k3f s THR 173 CO 0.33 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.48 3k3f h GLY 174 N 2.26 1.33 0.59 3.99 0.00 -2.01 -2.11 103.07 107.10 3k3f h GLY 174 Ca -0.30 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 46.79 3k3f h GLY 174 CO 0.44 0.06 0.37 -0.09 0.00 0.00 0.00 176.54 177.32 3k3f h ARG 175 N 0.71 0.64 -1.03 4.80 2.43 -1.98 -0.93 114.38 119.02 3k3f h ARG 175 Ca 0.48 -0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.88 3k3f h ARG 175 Cb 0.78 -0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 30.07 3k3f h ARG 175 CO -0.24 0.42 0.63 1.15 -1.51 0.00 0.00 179.97 180.42 3k3f h THR 176 N 0.66 0.49 0.08 0.20 2.02 -1.74 -0.52 112.91 114.09 3k3f h THR 176 Ca 0.32 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 67.18 3k3f h THR 176 Cb 0.27 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3k3f h THR 176 CO -0.22 0.09 -0.76 -0.26 0.37 0.00 0.00 175.52 174.73 3k3f h PHE 177 N 0.47 0.33 -0.17 3.16 0.04 -1.24 -1.04 116.94 118.48 3k3f h PHE 177 Ca 0.64 -0.24 -0.21 0.00 2.80 0.00 0.00 57.97 60.97 3k3f h PHE 177 Cb 1.43 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.57 3k3f h PHE 177 CO -0.01 1.29 -0.73 0.52 -0.60 0.00 0.00 178.31 178.79 3k3f h MET 178 N -0.59 0.76 -0.16 1.51 2.86 -1.10 -0.62 114.93 117.60 3k3f h MET 178 Ca -0.16 -0.59 -0.12 0.00 -2.06 0.00 0.00 59.70 56.78 3k3f h MET 178 Cb 1.46 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.24 3k3f h MET 178 CO 0.06 1.20 -0.36 1.49 1.06 0.00 0.00 176.91 180.36 3k3f h GLU 179 N 0.53 0.52 -0.24 1.72 4.81 -1.26 -3.10 114.58 117.55 3k3f h GLU 179 Ca -0.04 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3k3f h GLU 179 Cb 1.34 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 3k3f h GLU 179 CO 0.15 0.96 0.11 0.78 -0.73 0.00 0.00 179.01 180.28 3k3f h GLY 180 N 0.15 0.31 0.30 1.92 0.00 -0.72 -1.26 103.07 103.77 3k3f h GLY 180 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3k3f h GLY 180 CO 0.08 0.06 -0.47 -2.00 0.00 0.00 0.00 176.54 174.21 3k3f h LEU 181 N 0.24 -1.38 0.01 3.11 5.85 -1.19 -1.03 115.31 120.92 3k3f h LEU 181 Ca 0.10 0.14 -0.24 0.00 0.84 0.00 0.00 57.88 58.72 3k3f h LEU 181 Cb 0.03 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3k3f h LEU 181 CO -0.07 -0.56 -1.09 -0.26 -0.34 0.00 0.00 178.44 176.12 3k3f h PHE 182 N -0.78 0.27 0.00 1.25 0.04 -1.50 -2.91 116.94 113.31 3k3f h PHE 182 Ca -0.01 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3k3f h PHE 182 Cb 0.76 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3k3f h PHE 182 CO -0.36 1.12 -0.23 0.87 -0.60 0.00 0.00 178.31 179.11 3k3f h LYS 183 N 0.05 0.00 -0.54 1.51 1.57 -1.30 -0.87 116.57 117.00 3k3f h LYS 183 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3k3f h LYS 183 Cb 1.82 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 3k3f h LYS 183 CO 0.16 0.23 0.35 0.78 -0.57 0.00 0.00 179.45 180.40 3k3f h GLY 184 N 1.79 0.76 0.58 3.86 0.00 -0.98 0.63 103.07 109.70 3k3f h GLY 184 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3k3f h GLY 184 CO 0.03 0.28 -0.01 -2.08 0.00 0.00 0.00 176.54 174.77 3k3f h VAL 185 N 0.72 1.30 -0.97 4.60 2.07 -1.42 -3.18 116.25 119.36 3k3f h VAL 185 Ca 0.20 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 66.86 3k3f h VAL 185 Cb -0.07 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3k3f h VAL 185 CO -0.04 0.25 0.62 1.23 0.02 0.00 0.00 177.57 179.65 3k3f h GLY 186 N -0.45 1.52 2.00 2.17 0.00 -0.95 -2.05 103.07 105.32 3k3f h GLY 186 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3k3f h GLY 186 CO 0.00 0.18 0.00 1.18 0.00 0.00 0.00 176.54 177.91 3k3f n GLU 187 N -4.58 0.04 -0.10 4.80 -0.58 0.22 -1.47 120.64 118.97 3k3f n GLU 187 Ca 0.18 0.21 0.16 0.00 -0.42 0.00 0.00 57.16 57.29 3k3f n GLU 187 Cb 0.34 -1.57 0.56 0.00 -0.57 0.00 0.00 31.44 30.20 3k3f n GLU 187 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k3f h VAL 188 N 0.00 0.80 -0.13 2.62 2.07 -1.41 -1.78 116.25 118.42 3k3f h VAL 188 Ca 0.00 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3k3f h VAL 188 Cb 0.35 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3k3f h VAL 188 CO 0.00 0.05 -0.30 0.23 0.02 0.00 0.00 177.57 177.57 3k3f n MET 189 N -4.45 1.69 -3.14 1.57 2.81 -0.54 -4.97 117.12 110.10 3k3f n MET 189 Ca 0.12 -3.19 -0.21 0.00 -1.81 0.00 0.00 57.70 52.61 3k3f n MET 189 Cb 0.52 -1.68 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 3k3f n MET 189 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3k3f n PHE 190 N -1.13 -2.09 -3.69 2.03 3.72 -0.67 -4.96 117.46 110.68 3k3f n PHE 190 Ca 0.24 0.63 -0.38 0.00 -0.05 0.00 0.00 57.45 57.89 3k3f n PHE 190 Cb 0.81 -4.39 -0.10 0.00 -0.94 0.00 0.00 39.48 34.86 3k3f n PHE 190 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3k3f s GLN 191 N -5.80 2.30 -1.25 -1.08 -1.52 -0.69 -4.95 119.66 106.67 3k3f s GLN 191 Ca 0.36 -1.97 -0.13 0.00 -1.95 0.00 0.00 55.36 51.67 3k3f s GLN 191 Cb -0.16 -3.74 -0.05 0.00 -0.22 0.00 0.00 33.01 28.83 3k3f s GLN 191 CO 0.45 -1.14 2.33 -3.47 -0.25 0.00 0.00 175.29 173.21 3k3f n ASP 192 N 4.43 5.02 -3.66 5.90 4.64 -1.26 -3.66 116.55 127.96 3k3f n ASP 192 Ca -0.01 -2.64 -0.06 0.00 -1.38 0.00 0.00 54.79 50.70 3k3f n ASP 192 Cb 0.41 -1.41 -0.08 0.00 -1.04 0.00 0.00 41.12 39.00 3k3f n ASP 192 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 3k3f s ASN 193 N 3.38 -0.61 0.09 1.67 3.84 -1.26 -5.06 114.94 116.99 3k3f s ASN 193 Ca 0.54 1.20 -0.20 0.00 0.21 0.00 0.00 52.86 54.61 3k3f s ASN 193 Cb 0.14 1.59 -0.09 0.00 -0.55 0.00 0.00 41.25 42.34 3k3f s ASN 193 CO -0.03 -0.22 1.64 0.40 -2.79 0.00 0.00 177.10 176.10 3k3f h ILE 194 N 5.96 1.15 -0.42 -5.21 2.04 -1.86 -1.69 117.51 117.48 3k3f h ILE 194 Ca -0.20 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3k3f h ILE 194 Cb 1.12 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3k3f h ILE 194 CO 0.14 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.19 3k3f h VAL 195 N 0.15 1.19 -0.35 1.67 2.07 -1.97 -0.69 116.25 118.31 3k3f h VAL 195 Ca 0.06 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3k3f h VAL 195 Cb 0.16 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3k3f h VAL 195 CO -0.01 0.21 -0.03 0.74 0.02 0.00 0.00 177.57 178.50 3k3f h THR 196 N 0.54 0.70 -0.88 2.57 2.02 -1.80 0.33 112.91 116.39 3k3f h THR 196 Ca 0.14 -0.02 0.18 0.00 0.77 0.00 0.00 66.41 67.48 3k3f h THR 196 Cb 0.16 0.64 -0.11 0.00 -1.74 0.00 0.00 68.15 67.10 3k3f h THR 196 CO -0.01 0.01 0.43 1.23 0.37 0.00 0.00 175.52 177.55 3k3f h GLY 197 N 0.06 1.47 0.67 2.16 0.00 -0.89 0.18 103.07 106.71 3k3f h GLY 197 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3k3f h GLY 197 CO -0.32 -0.13 -0.11 -2.08 0.00 0.00 0.00 176.54 173.90 3k3f h VAL 198 N 0.54 1.36 -0.86 4.60 2.07 0.25 -2.48 116.25 121.73 3k3f h VAL 198 Ca 0.51 -1.28 0.20 0.00 0.82 0.00 0.00 66.70 66.95 3k3f h VAL 198 Cb 0.84 1.98 -0.12 0.00 -1.52 0.00 0.00 31.29 32.47 3k3f h VAL 198 CO -0.43 0.36 0.37 0.40 0.02 0.00 0.00 177.57 178.29 3k3f h ILE 199 N -0.16 0.53 -0.55 4.57 2.04 0.07 -0.84 117.51 123.17 3k3f h ILE 199 Ca 0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3k3f h ILE 199 Cb 0.63 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3k3f h ILE 199 CO 0.03 0.08 0.18 -0.26 0.00 0.00 0.00 178.15 178.17 3k3f h PHE 200 N 0.42 0.88 -0.18 1.37 -1.00 -0.47 0.12 116.94 118.08 3k3f h PHE 200 Ca 0.52 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 61.20 3k3f h PHE 200 Cb 0.93 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3k3f h PHE 200 CO -0.15 0.74 0.07 0.28 -1.61 0.00 0.00 178.31 177.64 3k3f h VAL 201 N 0.76 1.17 -0.48 -0.55 2.07 -0.91 -1.72 116.25 116.60 3k3f h VAL 201 Ca 0.18 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3k3f h VAL 201 Cb 0.27 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3k3f h VAL 201 CO -0.01 0.16 0.23 0.58 0.02 0.00 0.00 177.57 178.56 3k3f h VAL 202 N 0.13 0.95 -0.43 2.57 2.07 -0.80 0.95 116.25 121.69 3k3f h VAL 202 Ca 0.06 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3k3f h VAL 202 Cb 0.19 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3k3f h VAL 202 CO -0.00 0.08 0.13 0.00 0.02 0.00 0.00 177.57 177.80 3k3f h ALA 203 N 1.26 0.50 -0.38 1.67 0.00 -0.57 -1.64 119.26 120.11 3k3f h ALA 203 Ca 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k3f h ALA 203 Cb 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k3f h ALA 203 CO -0.16 -0.26 0.19 0.82 0.00 0.00 0.00 179.25 179.83 3k3f h ILE 204 N 0.29 1.16 -1.08 0.00 2.04 -0.89 -2.75 117.51 116.28 3k3f h ILE 204 Ca 0.21 -0.46 0.29 0.00 1.00 0.00 0.00 64.86 65.90 3k3f h ILE 204 Cb 0.22 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3k3f h ILE 204 CO -0.23 0.17 0.72 0.25 0.00 0.00 0.00 178.15 179.06 3k3f h LEU 205 N 0.47 0.31 -0.58 1.44 5.85 -0.08 0.15 115.31 122.87 3k3f h LEU 205 Ca 0.13 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3k3f h LEU 205 Cb 0.11 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3k3f h LEU 205 CO -0.02 0.05 0.35 0.58 -0.34 0.00 0.00 178.44 179.07 3k3f h VAL 206 N 0.27 1.17 0.19 1.05 2.07 -1.01 -3.20 116.25 116.79 3k3f h VAL 206 Ca 0.59 -0.37 -0.33 0.00 0.82 0.00 0.00 66.70 67.41 3k3f h VAL 206 Cb 1.75 0.37 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3k3f h VAL 206 CO -0.22 0.17 -1.60 -1.13 0.02 0.00 0.00 177.57 174.82 3k3f h ASN 207 N 0.78 0.64 -1.95 0.57 -1.24 -1.32 -3.48 115.58 109.59 3k3f h ASN 207 Ca 0.21 -0.83 0.08 0.00 0.71 0.00 0.00 56.30 56.48 3k3f h ASN 207 Cb -0.03 -0.21 -0.20 0.00 0.73 0.00 0.00 38.32 38.61 3k3f h ASN 207 CO -0.04 1.68 -0.12 -0.55 -1.29 0.00 0.00 177.43 177.11 3k3f s SER 208 N -7.33 -1.13 0.09 1.15 0.15 0.40 -5.02 113.70 102.00 3k3f s SER 208 Ca -0.12 1.54 -0.17 0.00 0.70 0.00 0.00 55.95 57.90 3k3f s SER 208 Cb 0.05 2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 66.57 3k3f s SER 208 CO 0.89 -0.22 1.48 -0.09 1.20 0.00 0.00 173.24 176.50 3k3f h ARG 209 N 7.98 0.52 -0.81 5.44 2.43 -1.80 -1.85 114.38 126.30 3k3f h ARG 209 Ca -0.18 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3k3f h ARG 209 Cb 1.10 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.56 3k3f h ARG 209 CO 0.10 0.73 0.49 0.82 -1.51 0.00 0.00 179.97 180.61 3k3f h ILE 210 N 0.28 1.02 -0.08 1.20 2.04 -1.95 -0.70 117.51 119.31 3k3f h ILE 210 Ca 0.07 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3k3f h ILE 210 Cb 0.54 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3k3f h ILE 210 CO 0.03 0.16 -0.27 0.28 0.00 0.00 0.00 178.15 178.35 3k3f h SER 211 N 0.90 0.14 -0.36 1.72 0.02 -1.82 -1.29 113.55 112.86 3k3f h SER 211 Ca 0.36 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 3k3f h SER 211 Cb 0.17 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3k3f h SER 211 CO -0.17 0.42 -0.37 0.00 -1.14 0.00 0.00 176.83 175.56 3k3f h ALA 212 N 1.60 0.61 -0.48 3.77 0.00 -0.40 -0.48 119.26 123.88 3k3f h ALA 212 Ca 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3k3f h ALA 212 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3k3f h ALA 212 CO 0.04 0.68 0.15 1.25 0.00 0.00 0.00 179.25 181.36 3k3f h LEU 213 N 0.75 0.70 -1.12 0.00 5.85 -0.96 -2.31 115.31 118.22 3k3f h LEU 213 Ca 0.06 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3k3f h LEU 213 Cb 0.96 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3k3f h LEU 213 CO 0.09 0.72 -0.42 -0.26 -0.34 0.00 0.00 178.44 178.23 3k3f h PHE 214 N 0.64 0.05 -0.27 1.25 0.04 -1.15 0.22 116.94 117.71 3k3f h PHE 214 Ca 0.15 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.95 3k3f h PHE 214 Cb 0.27 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3k3f h PHE 214 CO 0.01 0.46 0.06 0.00 -0.60 0.00 0.00 178.31 178.24 3k3f h ALA 215 N 1.54 0.29 -0.09 2.45 0.00 -0.88 -0.56 119.26 122.01 3k3f h ALA 215 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3k3f h ALA 215 Cb 0.76 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3k3f h ALA 215 CO 0.06 -0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.23 3k3f h VAL 216 N 0.16 1.25 -0.13 0.00 2.07 -0.84 -2.52 116.25 116.25 3k3f h VAL 216 Ca 0.13 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3k3f h VAL 216 Cb 0.12 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3k3f h VAL 216 CO -0.16 0.22 -0.15 0.40 0.02 0.00 0.00 177.57 177.90 3k3f h ILE 217 N -0.12 0.61 -0.57 4.57 2.04 -0.58 -2.18 117.51 121.27 3k3f h ILE 217 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 3k3f h ILE 217 Cb 0.34 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3k3f h ILE 217 CO 0.00 0.00 0.31 1.23 0.00 0.00 0.00 178.15 179.69 3k3f h GLY 218 N -0.18 0.81 0.83 5.37 0.00 -1.11 0.32 103.07 109.11 3k3f h GLY 218 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3k3f h GLY 218 CO -0.23 0.15 0.24 0.23 0.00 0.00 0.00 176.54 176.92 3k3f h SER 219 N 0.60 0.36 -0.11 0.19 0.87 -1.27 -0.72 113.55 113.47 3k3f h SER 219 Ca 0.25 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3k3f h SER 219 Cb 0.12 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3k3f h SER 219 CO -0.15 0.26 0.06 -0.07 -0.53 0.00 0.00 176.83 176.40 3k3f h LEU 220 N 0.48 0.14 -1.16 2.23 3.38 -0.76 -1.53 115.31 118.07 3k3f h LEU 220 Ca 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3k3f h LEU 220 Cb 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k3f h LEU 220 CO -0.11 0.19 0.27 0.58 0.09 0.00 0.00 178.44 179.46 3k3f h VAL 221 N 0.07 1.20 -0.13 1.22 2.07 -0.19 -0.97 116.25 119.52 3k3f h VAL 221 Ca 0.04 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3k3f h VAL 221 Cb 0.08 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3k3f h VAL 221 CO -0.01 0.25 0.03 1.23 0.02 0.00 0.00 177.57 179.09 3k3f h GLY 222 N 0.95 0.23 0.35 2.17 0.00 -1.05 -0.93 103.07 104.79 3k3f h GLY 222 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3k3f h GLY 222 CO -0.02 0.13 -0.37 -2.00 0.00 0.00 0.00 176.54 174.28 3k3f h LEU 223 N 0.01 -1.09 -0.19 3.11 6.46 -1.05 -1.80 115.31 120.76 3k3f h LEU 223 Ca 0.04 0.12 -0.18 0.00 -0.12 0.00 0.00 57.88 57.74 3k3f h LEU 223 Cb 0.26 0.41 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3k3f h LEU 223 CO 0.00 -0.45 -0.88 0.00 -0.62 0.00 0.00 178.44 176.49 3k3f h THR 225 N 0.00 0.78 -0.85 0.00 2.02 -1.15 0.22 112.91 113.94 3k3f h THR 225 Ca -0.01 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3k3f h THR 225 Cb 1.58 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 3k3f h THR 225 CO 0.11 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.54 3k3f h ALA 226 N 1.23 1.14 0.02 6.16 0.00 -1.11 0.10 119.26 126.80 3k3f h ALA 226 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k3f h ALA 226 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3k3f h ALA 226 CO -0.23 0.32 -0.01 -0.07 0.00 0.00 0.00 179.25 179.26 3k3f h LEU 227 N 1.01 -0.03 -1.12 0.00 3.38 -0.93 -0.38 115.31 117.24 3k3f h LEU 227 Ca 0.36 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.30 3k3f h LEU 227 Cb 0.09 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3k3f h LEU 227 CO -0.15 0.13 0.61 0.40 0.09 0.00 0.00 178.44 179.52 3k3f h ILE 228 N -0.19 0.92 -0.02 1.22 2.04 -0.30 -0.84 117.51 120.33 3k3f h ILE 228 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3k3f h ILE 228 Cb 0.17 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3k3f h ILE 228 CO 0.01 0.17 0.00 0.23 0.00 0.00 0.00 178.15 178.55 3k3f n MET 229 N -4.58 1.09 -3.22 2.37 2.81 0.33 -4.93 117.12 110.99 3k3f n MET 229 Ca 0.18 -0.14 -0.20 0.00 -1.81 0.00 0.00 57.70 55.72 3k3f n MET 229 Cb 0.37 -1.26 0.05 0.00 -0.71 0.00 0.00 33.22 31.67 3k3f n MET 229 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3k3f n HIS 230 N -0.61 -2.17 -1.68 2.03 8.25 -0.32 -5.01 115.22 115.71 3k3f n HIS 230 Ca 0.12 0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 57.87 3k3f n HIS 230 Cb 0.09 -4.34 0.02 0.00 1.12 0.00 0.00 29.99 26.88 3k3f n HIS 230 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3k3f n SER 231 N -2.25 2.11 -4.62 0.41 2.88 -0.22 -5.00 113.62 106.93 3k3f n SER 231 Ca -0.04 1.06 -0.36 0.00 -1.33 0.00 0.00 58.87 58.20 3k3f n SER 231 Cb 0.58 -1.46 0.08 0.00 -0.75 0.00 0.00 64.21 62.65 3k3f n SER 231 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3k3f n PRO 232 N -0.09 0.64 -0.14 -1.46 -0.02 -1.26 -4.83 135.00 127.84 3k3f n PRO 232 Ca 0.08 0.27 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 3k3f n PRO 232 Cb 0.40 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.83 3k3f n PRO 232 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k3f h GLU 233 N -0.02 0.86 -0.20 -0.52 4.22 -1.62 -3.34 114.58 113.95 3k3f h GLU 233 Ca -0.48 -0.18 0.06 0.00 0.08 0.00 0.00 59.36 58.84 3k3f h GLU 233 Cb 1.34 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 3k3f h GLU 233 CO 0.48 0.78 -0.25 1.15 -2.18 0.00 0.00 179.01 178.99 3k3f h THR 234 N 0.83 0.38 -0.65 0.32 2.02 -1.91 0.87 112.91 114.77 3k3f h THR 234 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3k3f h THR 234 Cb 0.31 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3k3f h THR 234 CO -0.00 0.00 0.36 -0.65 0.37 0.00 0.00 175.52 175.60 3k3f h PRO 235 N -0.28 0.89 0.59 6.66 0.11 -1.98 -1.75 132.00 136.24 3k3f h PRO 235 Ca 0.12 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3k3f h PRO 235 Cb 0.47 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.40 3k3f h PRO 235 CO -0.36 0.65 -0.28 0.28 -0.21 0.00 0.00 178.00 178.07 3k3f h VAL 236 N 0.90 0.39 -0.98 3.15 2.07 -1.42 -1.27 116.25 119.09 3k3f h VAL 236 Ca 0.23 -0.12 0.22 0.00 0.82 0.00 0.00 66.70 67.85 3k3f h VAL 236 Cb 0.01 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 30.10 3k3f h VAL 236 CO -0.04 0.02 0.57 -0.09 0.02 0.00 0.00 177.57 178.05 3k3f h ARG 237 N -0.88 0.62 0.00 1.57 2.43 -0.75 -0.42 114.38 116.94 3k3f h ARG 237 Ca -0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3k3f h ARG 237 Cb 0.64 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3k3f h ARG 237 CO 0.13 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 3k3f n LEU 238 N -4.86 0.00 -0.43 3.80 4.77 -0.67 -2.25 117.00 117.36 3k3f n LEU 238 Ca 0.25 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 3k3f n LEU 238 Cb 0.66 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3k3f n LEU 238 CO 0.18 -0.02 -0.05 0.61 -1.33 0.00 0.00 177.39 176.78 3k3f n GLY 239 N 0.50 0.81 0.18 -0.72 0.00 -0.17 -4.60 105.19 101.20 3k3f n GLY 239 Ca 0.16 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.51 3k3f n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k3f h LEU 240 N 0.00 0.00 -1.91 0.99 3.38 -1.42 -2.56 115.31 113.78 3k3f h LEU 240 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3k3f h LEU 240 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k3f h LEU 240 CO 0.17 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.48 3k3f n TYR 241 N -2.75 0.08 -0.01 1.13 4.01 -1.26 -4.47 117.16 113.89 3k3f n TYR 241 Ca 0.04 -0.05 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 3k3f n TYR 241 Cb 0.44 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.33 3k3f n TYR 241 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3f n GLY 242 N 1.21 -0.58 0.30 2.72 0.00 -0.98 -3.74 105.19 104.13 3k3f n GLY 242 Ca 0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3k3f n GLY 242 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3k3f h PHE 243 N 0.06 1.10 -0.73 1.61 -0.00 -1.54 0.23 116.94 117.68 3k3f h PHE 243 Ca -0.43 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.97 57.31 3k3f h PHE 243 Cb 2.02 -0.28 -0.03 0.00 -0.00 0.00 0.00 35.95 37.66 3k3f h PHE 243 CO 0.07 1.01 0.37 -0.91 -0.00 0.00 0.00 178.31 178.84 3k3f h ASN 244 N 0.90 0.92 0.68 -0.68 2.35 -1.86 -2.73 115.58 115.16 3k3f h ASN 244 Ca 0.15 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3k3f h ASN 244 Cb 0.61 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3k3f h ASN 244 CO 0.04 0.76 -0.35 0.28 -1.65 0.00 0.00 177.43 176.51 3k3f h SER 245 N 1.02 0.00 0.16 5.81 0.02 -1.47 -0.17 113.55 118.93 3k3f h SER 245 Ca 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3k3f h SER 245 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3k3f h SER 245 CO -0.04 0.35 -0.08 0.58 -1.14 0.00 0.00 176.83 176.50 3k3f h VAL 246 N 0.00 0.93 -0.39 2.27 2.07 -0.72 -0.15 116.25 120.26 3k3f h VAL 246 Ca -0.00 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3k3f h VAL 246 Cb 0.78 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3k3f h VAL 246 CO 0.05 0.10 0.24 -0.07 0.02 0.00 0.00 177.57 177.91 3k3f h LEU 247 N -0.42 0.41 -0.67 2.57 3.38 -1.37 -0.93 115.31 118.27 3k3f h LEU 247 Ca -0.02 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3k3f h LEU 247 Cb 0.33 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3k3f h LEU 247 CO 0.04 0.29 0.31 0.00 0.09 0.00 0.00 178.44 179.17 3k3f h GLY 249 N 0.55 0.72 1.01 0.00 0.00 -0.40 -1.51 103.07 103.43 3k3f h GLY 249 Ca 0.33 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3k3f h GLY 249 CO -0.27 0.47 -0.21 -2.22 0.00 0.00 0.00 176.54 174.31 3k3f h ILE 250 N 0.49 1.28 -0.11 2.60 2.04 -0.76 0.21 117.51 123.26 3k3f h ILE 250 Ca 0.11 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3k3f h ILE 250 Cb 0.43 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3k3f h ILE 250 CO 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 3k3f h ALA 251 N 0.79 0.15 0.00 1.87 0.00 -1.17 -3.22 119.26 117.68 3k3f h ALA 251 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k3f h ALA 251 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k3f h ALA 251 CO 0.06 -0.14 -0.06 0.52 0.00 0.00 0.00 179.25 179.64 3k3f h MET 252 N -0.10 0.00 -3.29 0.00 2.86 -1.29 -2.43 114.93 110.69 3k3f h MET 252 Ca 0.03 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.93 3k3f h MET 252 Cb 0.40 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.95 3k3f h MET 252 CO 0.01 0.06 2.50 0.41 1.06 0.00 0.00 176.91 180.95 3k3f n GLY 253 N 1.07 4.78 0.85 8.32 0.00 0.72 -4.44 105.19 116.50 3k3f n GLY 253 Ca 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3k3f n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3f n GLY 254 N 2.80 0.84 0.08 -0.02 0.00 -1.03 -4.74 105.19 103.11 3k3f n GLY 254 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 3k3f n GLY 254 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k3f h ILE 255 N 0.00 0.72 -0.00 -0.61 2.04 -1.74 -3.33 117.51 114.59 3k3f h ILE 255 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3k3f h ILE 255 Cb 0.00 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3k3f h ILE 255 CO 0.00 0.24 -0.88 0.49 0.00 0.00 0.00 178.15 178.00 3k3f n PHE 256 N -4.60 0.00 -4.34 1.37 3.72 -0.91 -4.55 117.46 108.15 3k3f n PHE 256 Ca -0.14 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.07 3k3f n PHE 256 Cb 0.38 -0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.75 3k3f n PHE 256 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3k3f s PHE 257 N -2.92 0.82 0.10 1.38 0.08 -1.26 -0.46 117.98 115.72 3k3f s PHE 257 Ca 0.10 -0.18 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 3k3f s PHE 257 Cb 0.16 -0.56 -0.10 0.00 -0.57 0.00 0.00 43.02 41.95 3k3f s PHE 257 CO 0.81 -0.05 1.88 0.71 -0.10 0.00 0.00 175.22 178.48 3k3f s TYR 258 N 0.00 1.86 -0.09 0.36 2.02 -0.72 -2.47 117.35 118.31 3k3f s TYR 258 Ca 0.00 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 3k3f s TYR 258 Cb -0.06 -4.22 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 3k3f s TYR 258 CO -0.00 -5.16 1.62 -1.17 -1.57 0.00 0.00 175.55 169.28 3k3f s LEU 259 N 3.27 4.23 0.00 -1.29 2.96 -1.26 -4.71 118.68 121.88 3k3f s LEU 259 Ca 0.84 2.09 -0.02 0.00 -0.22 0.00 0.00 54.13 56.82 3k3f s LEU 259 Cb -0.45 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 42.71 3k3f s LEU 259 CO 0.38 -0.98 0.34 -0.46 -1.32 0.00 0.00 176.35 174.31 3k3f n ASN 260 N 7.36 -0.94 -0.34 3.68 0.23 -1.26 -5.02 115.26 118.97 3k3f n ASN 260 Ca 0.17 -2.26 0.05 0.00 -0.53 0.00 0.00 54.58 52.01 3k3f n ASN 260 Cb 0.43 1.74 0.20 0.00 -2.08 0.00 0.00 39.78 40.08 3k3f n ASN 260 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3k3f h ILE 261 N 1.68 0.95 -0.15 1.53 6.09 -1.99 0.13 117.51 125.75 3k3f h ILE 261 Ca -0.18 -0.33 -0.12 0.00 -1.37 0.00 0.00 64.86 62.86 3k3f h ILE 261 Cb 0.80 -0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.99 3k3f h ILE 261 CO 0.25 0.18 -0.36 0.03 -3.07 0.00 0.00 178.15 175.18 3k3f h ARG 262 N 0.97 0.51 0.00 2.19 3.08 -1.95 -2.39 114.38 116.78 3k3f h ARG 262 Ca 0.45 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3k3f h ARG 262 Cb 0.38 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3k3f h ARG 262 CO -0.24 0.96 -0.18 1.79 -1.07 0.00 0.00 179.97 181.23 3k3f h THR 263 N 0.13 0.40 -0.25 2.04 1.35 -1.80 -1.11 112.91 113.66 3k3f h THR 263 Ca -0.00 -1.14 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 3k3f h THR 263 Cb 0.97 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 3k3f h THR 263 CO 0.08 0.18 0.00 0.15 -0.25 0.00 0.00 175.52 175.68 3k3f h PHE 264 N 0.00 0.47 -0.41 4.73 3.57 -0.60 0.46 116.94 125.16 3k3f h PHE 264 Ca -0.00 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 3k3f h PHE 264 Cb 0.84 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3k3f h PHE 264 CO 0.00 0.60 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.37 3k3f h LEU 265 N 0.22 0.86 -0.29 0.59 3.38 -1.07 -1.47 115.31 117.52 3k3f h LEU 265 Ca 0.07 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3k3f h LEU 265 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3k3f h LEU 265 CO 0.01 1.06 0.17 0.22 0.09 0.00 0.00 178.44 179.99 3k3f h TYR 266 N 0.72 0.32 -0.91 1.13 5.03 -1.19 -1.81 116.97 120.27 3k3f h TYR 266 Ca 0.10 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.54 3k3f h TYR 266 Cb 0.77 -0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.86 3k3f h TYR 266 CO 0.04 0.19 0.53 0.00 -1.32 0.00 0.00 178.16 177.61 3k3f h ALA 267 N 1.13 1.35 -0.30 1.82 0.00 -0.61 -2.16 119.26 120.50 3k3f h ALA 267 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3k3f h ALA 267 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3k3f h ALA 267 CO -0.05 0.09 -0.11 1.25 0.00 0.00 0.00 179.25 180.43 3k3f h LEU 268 N 0.83 0.61 -0.73 0.00 5.85 -0.88 -0.65 115.31 120.33 3k3f h LEU 268 Ca 0.46 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3k3f h LEU 268 Cb 0.51 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3k3f h LEU 268 CO -0.29 0.86 0.42 1.23 -0.34 0.00 0.00 178.44 180.32 3k3f h GLY 269 N 0.36 1.10 1.17 3.75 0.00 -1.16 -1.09 103.07 107.20 3k3f h GLY 269 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 3k3f h GLY 269 CO 0.04 0.18 0.02 0.00 0.00 0.00 0.00 176.54 176.78 3k3f h MET 271 N 0.92 0.82 -0.11 0.00 2.07 -0.76 -1.26 114.93 116.61 3k3f h MET 271 Ca 0.17 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3k3f h MET 271 Cb 0.50 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.15 3k3f h MET 271 CO 0.02 0.88 0.07 0.28 1.07 0.00 0.00 176.91 179.23 3k3f h VAL 272 N 0.68 1.07 0.00 -2.22 2.07 -1.14 -2.84 116.25 113.87 3k3f h VAL 272 Ca 0.13 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3k3f h VAL 272 Cb 0.51 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3k3f h VAL 272 CO 0.02 0.06 -0.45 -0.07 0.02 0.00 0.00 177.57 177.16 3k3f h LEU 273 N 0.11 0.00 -0.92 2.57 3.38 -1.28 -2.16 115.31 117.00 3k3f h LEU 273 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k3f h LEU 273 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3k3f h LEU 273 CO -0.01 0.45 0.61 1.23 0.09 0.00 0.00 178.44 180.81 3k3f h GLY 274 N 1.46 1.30 0.84 0.83 0.00 -1.13 0.45 103.07 106.82 3k3f h GLY 274 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3k3f h GLY 274 CO 0.06 0.47 -0.09 0.00 0.00 0.00 0.00 176.54 176.98 3k3f h ALA 275 N 1.34 0.32 -0.48 3.60 0.00 -1.19 -2.05 119.26 120.80 3k3f h ALA 275 Ca 0.34 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3k3f h ALA 275 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3k3f h ALA 275 CO -0.07 0.15 0.31 0.82 0.00 0.00 0.00 179.25 180.46 3k3f h ILE 276 N 0.19 1.09 0.00 0.00 2.04 -1.23 -2.49 117.51 117.12 3k3f h ILE 276 Ca 0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3k3f h ILE 276 Cb 0.58 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3k3f h ILE 276 CO 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 178.15 178.24 3k3f h ALA 277 N 1.19 1.35 -0.43 1.87 0.00 -0.07 -2.36 119.26 120.82 3k3f h ALA 277 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3k3f h ALA 277 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k3f h ALA 277 CO -0.06 0.06 0.16 1.15 0.00 0.00 0.00 179.25 180.56 3k3f h THR 278 N 0.00 1.21 -0.45 0.00 2.02 -0.89 -0.66 112.91 114.14 3k3f h THR 278 Ca -0.00 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 3k3f h THR 278 Cb 0.15 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3k3f h THR 278 CO 0.01 0.24 0.07 1.23 0.37 0.00 0.00 175.52 177.44 3k3f h GLY 279 N 0.55 0.80 0.66 2.16 0.00 -1.44 -2.32 103.07 103.48 3k3f h GLY 279 Ca 0.14 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.97 3k3f h GLY 279 CO -0.01 0.50 0.05 0.00 0.00 0.00 0.00 176.54 177.07 3k3f h ALA 280 N 0.95 0.28 0.00 3.60 0.00 -1.12 -2.06 119.26 120.91 3k3f h ALA 280 Ca 0.14 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3k3f h ALA 280 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3k3f h ALA 280 CO 0.01 -0.37 -0.62 0.74 0.00 0.00 0.00 179.25 179.01 3k3f h PHE 281 N 0.14 0.00 -0.38 0.00 0.04 -1.17 -1.48 116.94 114.09 3k3f h PHE 281 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3k3f h PHE 281 Cb 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3k3f h PHE 281 CO -0.17 0.62 0.15 1.03 -0.60 0.00 0.00 178.31 179.34 3k3f h SER 282 N 0.00 0.52 0.05 2.17 0.87 -1.16 -2.67 113.55 113.33 3k3f h SER 282 Ca -0.01 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3k3f h SER 282 Cb 1.44 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3k3f h SER 282 CO 0.08 0.55 -0.02 0.58 -0.53 0.00 0.00 176.83 177.49 3k3f h VAL 283 N 0.47 0.99 -0.94 2.23 2.07 -1.34 -2.41 116.25 117.32 3k3f h VAL 283 Ca 0.13 -0.10 0.21 0.00 0.82 0.00 0.00 66.70 67.76 3k3f h VAL 283 Cb 0.19 1.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 3k3f h VAL 283 CO -0.01 0.03 0.50 0.25 0.02 0.00 0.00 177.57 178.35 3k3f h LEU 284 N -0.11 0.55 -1.51 2.57 5.85 -1.18 -1.71 115.31 119.77 3k3f h LEU 284 Ca -0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3k3f h LEU 284 Cb 0.09 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3k3f h LEU 284 CO 0.01 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 3k3f n LEU 285 N -4.92 2.30 0.02 2.25 4.77 -1.01 -4.46 117.00 115.96 3k3f n LEU 285 Ca 0.23 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.29 3k3f n LEU 285 Cb 0.63 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.80 3k3f n LEU 285 CO 0.17 0.43 0.62 0.77 -1.33 0.00 0.00 177.39 178.05 3k3f h SER 286 N 3.34 0.48 -0.02 -1.43 4.64 -0.78 -1.64 113.55 118.15 3k3f h SER 286 Ca 0.00 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3k3f h SER 286 Cb 0.72 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3k3f h SER 286 CO 0.00 0.83 0.15 -0.65 -0.87 0.00 0.00 176.83 176.28 3k3f h PRO 287 N 0.38 0.00 -0.11 4.77 0.11 -1.71 -0.25 132.00 135.19 3k3f h PRO 287 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k3f h PRO 287 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3k3f h PRO 287 CO 0.07 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.30 3k3f n ILE 288 N -3.11 0.41 -1.06 4.15 -5.35 -0.88 -4.16 119.36 109.36 3k3f n ILE 288 Ca -0.02 -0.71 -0.02 0.00 -0.27 0.00 0.00 62.75 61.73 3k3f n ILE 288 Cb 0.21 0.89 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 3k3f n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3f n GLY 289 N 0.37 0.55 3.86 3.28 0.00 -0.21 -4.57 105.19 108.46 3k3f n GLY 289 Ca 0.06 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3k3f n GLY 289 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k3f s MET 290 N -1.39 3.25 0.41 1.61 1.00 -1.05 -3.53 119.30 119.59 3k3f s MET 290 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 55.69 54.99 3k3f s MET 290 Cb 0.00 -2.95 -0.09 0.00 0.00 0.00 0.00 34.83 31.78 3k3f s MET 290 CO 0.00 0.63 1.01 -1.25 0.00 0.00 0.00 175.02 175.41 3k3f s PRO 291 N -2.16 4.19 0.13 2.03 0.04 -1.26 -4.62 135.00 133.35 3k3f s PRO 291 Ca 0.29 1.37 0.25 0.00 0.04 0.00 0.00 61.00 62.96 3k3f s PRO 291 Cb -0.13 -2.44 0.62 0.00 0.04 0.00 0.00 34.50 32.60 3k3f s PRO 291 CO 0.21 -0.09 1.56 0.00 0.04 0.00 0.00 177.00 178.72 3k3f n ALA 292 N -0.23 2.70 -0.86 8.56 0.00 -1.26 -5.00 120.51 124.43 3k3f n ALA 292 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3k3f n ALA 292 Cb 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3k3f n ALA 292 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k3f n LEU 293 N -2.03 0.00 -1.50 0.00 4.77 -1.26 -1.47 117.00 115.51 3k3f n LEU 293 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3k3f n LEU 293 Cb 0.41 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.82 3k3f n LEU 293 CO 0.33 0.00 0.75 0.35 -1.33 0.00 0.00 177.39 177.49 3k3f n THR 294 N 0.00 1.85 -0.35 -5.08 -2.24 -1.26 -4.39 114.28 102.82 3k3f n THR 294 Ca 0.00 -1.05 0.14 0.00 -2.27 0.00 0.00 64.05 60.87 3k3f n THR 294 Cb 0.00 -0.11 0.34 0.00 -2.10 0.00 0.00 70.33 68.46 3k3f n THR 294 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3k3f h TRP 295 N 3.37 1.02 -0.07 4.78 2.91 -1.64 -0.79 115.95 125.52 3k3f h TRP 295 Ca 0.00 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.08 3k3f h TRP 295 Cb 1.46 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.77 3k3f h TRP 295 CO 0.76 0.22 -0.14 -1.35 -1.03 0.00 0.00 178.44 176.90 3k3f h PRO 296 N 0.72 -0.19 -0.42 2.65 0.11 -1.79 0.10 132.00 133.18 3k3f h PRO 296 Ca 0.58 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.75 3k3f h PRO 296 Cb 0.96 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3k3f h PRO 296 CO -0.37 -0.12 0.17 0.35 -0.21 0.00 0.00 178.00 177.82 3k3f h PHE 297 N -0.19 0.31 -0.17 0.65 3.57 -1.71 -2.17 116.94 117.23 3k3f h PHE 297 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3k3f h PHE 297 Cb 0.29 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3k3f h PHE 297 CO -0.23 0.14 0.11 0.82 -2.23 0.00 0.00 178.31 176.92 3k3f h ILE 298 N 0.36 1.06 -0.21 1.41 2.04 -0.84 0.14 117.51 121.46 3k3f h ILE 298 Ca 0.19 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 3k3f h ILE 298 Cb 0.15 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3k3f h ILE 298 CO -0.17 0.05 -0.19 0.58 0.00 0.00 0.00 178.15 178.42 3k3f h VAL 299 N 0.22 1.32 -0.16 1.67 2.07 -0.88 -0.48 116.25 120.01 3k3f h VAL 299 Ca 0.06 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.15 3k3f h VAL 299 Cb -0.01 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3k3f h VAL 299 CO -0.01 0.41 -0.24 0.58 0.02 0.00 0.00 177.57 178.33 3k3f h VAL 300 N 0.18 1.35 -0.51 2.57 2.07 -1.31 -1.83 116.25 118.77 3k3f h VAL 300 Ca 0.04 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3k3f h VAL 300 Cb 0.73 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3k3f h VAL 300 CO 0.05 0.44 0.19 0.74 0.02 0.00 0.00 177.57 179.01 3k3f h THR 301 N 0.08 1.22 -0.68 2.57 2.02 -0.74 -1.55 112.91 115.84 3k3f h THR 301 Ca 0.02 -0.70 0.11 0.00 0.77 0.00 0.00 66.41 66.61 3k3f h THR 301 Cb 0.81 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 3k3f h THR 301 CO 0.06 0.26 0.26 -0.50 0.37 0.00 0.00 175.52 175.97 3k3f h TRP 302 N 0.69 0.44 -0.08 3.16 6.55 -1.06 0.76 115.95 126.42 3k3f h TRP 302 Ca 0.17 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.04 3k3f h TRP 302 Cb 0.22 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 3k3f h TRP 302 CO 0.01 0.08 0.05 -0.07 -1.05 0.00 0.00 178.44 177.46 3k3f h LEU 303 N 0.43 0.09 -1.34 -4.49 3.38 -0.74 0.24 115.31 112.88 3k3f h LEU 303 Ca 0.35 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3k3f h LEU 303 Cb 0.48 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3k3f h LEU 303 CO -0.35 0.09 -0.04 -0.26 0.09 0.00 0.00 178.44 177.97 3k3f h PHE 304 N 0.09 0.40 -0.08 1.13 0.04 -0.86 -1.67 116.94 115.99 3k3f h PHE 304 Ca 0.03 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3k3f h PHE 304 Cb 0.01 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 3k3f h PHE 304 CO -0.07 0.44 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.95 3k3f h LEU 305 N 0.38 0.19 -1.34 1.54 3.38 -0.67 -2.40 115.31 116.38 3k3f h LEU 305 Ca 0.08 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3k3f h LEU 305 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k3f h LEU 305 CO 0.01 0.61 -0.02 -0.26 0.09 0.00 0.00 178.44 178.87 3k3f h PHE 306 N -0.23 0.43 0.00 1.13 0.04 -0.87 -3.00 116.94 114.45 3k3f h PHE 306 Ca 0.01 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3k3f h PHE 306 Cb 0.55 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3k3f h PHE 306 CO 0.08 0.45 -0.27 0.00 -0.60 0.00 0.00 178.31 177.97 3k3f h ALA 307 N 1.58 0.84 -0.79 2.45 0.00 -1.21 -3.37 119.26 118.76 3k3f h ALA 307 Ca 0.09 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.92 3k3f h ALA 307 Cb 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 3k3f h ALA 307 CO 0.01 0.34 -0.13 0.78 0.00 0.00 0.00 179.25 180.24 3k3f h GLY 308 N 3.51 0.68 1.53 0.00 0.00 -1.28 -1.58 103.07 105.93 3k3f h GLY 308 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3k3f h GLY 308 CO 0.04 -0.31 0.00 -1.14 0.00 0.00 0.00 176.54 175.12 3k3f n SER 309 N -5.47 0.00 0.02 0.19 3.41 -1.26 -2.08 113.62 108.42 3k3f n SER 309 Ca 0.13 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 3k3f n SER 309 Cb 0.44 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3k3f n SER 309 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3k3f n MET 310 N -1.26 0.27 -3.73 4.33 2.81 -0.59 -4.84 117.12 114.10 3k3f n MET 310 Ca 0.10 -0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 3k3f n MET 310 Cb 0.15 -1.56 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 3k3f n MET 310 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3k3f s PHE 311 N -3.19 3.26 0.40 2.03 0.08 -0.88 -4.96 117.98 114.71 3k3f s PHE 311 Ca 0.03 -1.41 0.11 0.00 0.12 0.00 0.00 56.93 55.79 3k3f s PHE 311 Cb 0.15 -2.34 0.82 0.00 -0.57 0.00 0.00 43.02 41.08 3k3f s PHE 311 CO 0.82 -0.73 1.91 0.00 -0.10 0.00 0.00 175.22 177.12 3k3f h ARG 312 N 8.24 0.12 0.00 0.44 3.08 -1.88 -2.61 114.38 121.77 3k3f h ARG 312 Ca -0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3k3f h ARG 312 Cb 1.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3k3f h ARG 312 CO 0.62 0.33 0.00 0.09 -1.07 0.00 0.00 179.97 179.94 3k3f n ASN 313 N -4.24 0.00 -3.97 7.04 3.02 -1.26 -4.64 115.26 111.20 3k3f n ASN 313 Ca -0.02 -0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 53.89 3k3f n ASN 313 Cb 0.30 -0.20 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 3k3f n ASN 313 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k3f s ILE 314 N -2.40 1.63 -0.55 2.41 1.01 -0.98 -4.75 121.20 117.57 3k3f s ILE 314 Ca 0.31 -1.21 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 3k3f s ILE 314 Cb 0.19 -1.83 0.08 0.00 0.01 0.00 0.00 42.46 40.92 3k3f s ILE 314 CO 0.39 -0.01 0.64 0.00 0.00 0.00 0.00 174.94 175.96 3k3f s ALA 315 N 1.36 3.42 0.45 9.38 0.00 -1.26 -4.79 121.76 130.32 3k3f s ALA 315 Ca -0.05 -2.04 -0.23 0.00 0.00 0.00 0.00 51.96 49.64 3k3f s ALA 315 Cb -0.18 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 3k3f s ALA 315 CO -0.07 -2.16 1.13 -0.65 0.00 0.00 0.00 175.76 174.01 3k3f s GLN 316 N 2.56 3.84 -0.19 0.00 -0.21 -1.26 -1.76 119.66 122.64 3k3f s GLN 316 Ca 0.12 1.69 -0.19 0.00 0.02 0.00 0.00 55.36 57.00 3k3f s GLN 316 Cb -0.22 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 3k3f s GLN 316 CO 0.08 -0.46 0.54 0.08 -2.12 0.00 0.00 175.29 173.41 3k3f s VAL 317 N -1.60 5.10 0.07 1.09 1.01 0.39 -4.74 120.40 121.72 3k3f s VAL 317 Ca 0.63 1.01 -0.35 0.00 0.00 0.00 0.00 61.98 63.26 3k3f s VAL 317 Cb -0.26 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 3k3f s VAL 317 CO 0.32 0.18 1.55 -2.65 0.00 0.00 0.00 175.10 174.50 3k3f n PRO 318 N 4.71 1.74 -0.28 2.72 -0.01 -1.26 -4.82 135.00 137.79 3k3f n PRO 318 Ca -0.04 0.63 0.00 0.00 -0.01 0.00 0.00 63.50 64.08 3k3f n PRO 318 Cb 0.50 -2.36 0.13 0.00 -0.01 0.00 0.00 33.50 31.76 3k3f n PRO 318 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 175.50 176.64 3k3f h THR 319 N 3.86 0.99 -0.26 3.45 2.02 -1.95 -1.52 112.91 119.50 3k3f h THR 319 Ca -0.46 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 66.51 3k3f h THR 319 Cb 1.29 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3k3f h THR 319 CO 0.86 0.15 0.19 -0.08 0.37 0.00 0.00 175.52 177.02 3k3f h GLU 320 N 0.83 0.00 0.00 6.66 4.81 -1.90 -2.20 114.58 122.78 3k3f h GLU 320 Ca 0.35 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.35 3k3f h GLU 320 Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3k3f h GLU 320 CO -0.19 0.00 -1.40 0.87 -0.73 0.00 0.00 179.01 177.57 3k3f h LYS 321 N 0.00 0.00 -6.08 1.92 1.57 -1.67 -3.48 116.57 108.83 3k3f h LYS 321 Ca 0.13 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.27 3k3f h LYS 321 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3k3f h LYS 321 CO -0.00 0.54 1.34 0.00 -0.57 0.00 0.00 179.45 180.76 3k3f n ALA 322 N -2.45 1.21 -2.60 3.86 0.00 -0.83 -4.97 120.51 114.74 3k3f n ALA 322 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3k3f n ALA 322 Cb 0.95 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3k3f n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3f n GLY 323 N 5.64 3.81 3.70 0.00 0.00 -1.26 -5.06 105.19 112.03 3k3f n GLY 323 Ca 0.32 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3k3f n GLY 323 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k3f s THR 324 N 2.39 2.21 0.25 2.61 -4.23 -1.26 -4.61 115.64 112.99 3k3f s THR 324 Ca 0.00 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 3k3f s THR 324 Cb 0.00 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.63 3k3f s THR 324 CO 0.00 -0.07 1.76 -0.65 -0.54 0.00 0.00 174.62 175.12 3k3f h PRO 325 N -0.99 0.56 -0.27 3.99 0.11 -1.86 0.33 132.00 133.86 3k3f h PRO 325 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k3f h PRO 325 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3k3f h PRO 325 CO 0.46 0.37 0.15 0.93 -0.21 0.00 0.00 178.00 179.70 3k3f h GLU 326 N 0.58 0.38 -0.61 1.05 3.07 -1.91 -1.64 114.58 115.50 3k3f h GLU 326 Ca 0.44 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.17 3k3f h GLU 326 Cb 0.61 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3k3f h GLU 326 CO -0.36 0.33 0.05 -0.44 -1.40 0.00 0.00 179.01 177.19 3k3f h ASP 327 N 0.33 1.00 -0.52 1.42 3.32 -1.83 -1.80 116.42 118.34 3k3f h ASP 327 Ca 0.10 -0.25 0.09 0.00 0.02 0.00 0.00 57.03 56.99 3k3f h ASP 327 Cb 0.06 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.27 3k3f h ASP 327 CO -0.02 1.02 0.09 0.78 -1.72 0.00 0.00 179.24 179.39 3k3f h ASN 328 N 0.96 -0.03 0.41 6.45 2.35 -0.69 -2.07 115.58 122.95 3k3f h ASN 328 Ca 0.18 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 3k3f h ASN 328 Cb 0.48 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3k3f h ASN 328 CO 0.02 0.01 -0.56 -0.07 -1.65 0.00 0.00 177.43 175.18 3k3f h LEU 329 N 0.22 0.18 -0.99 1.61 3.38 -1.11 -2.50 115.31 116.10 3k3f h LEU 329 Ca 0.26 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3k3f h LEU 329 Cb 0.37 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3k3f h LEU 329 CO -0.36 0.71 0.07 0.03 0.09 0.00 0.00 178.44 178.98 3k3f h ARG 330 N 0.12 0.81 0.00 1.13 3.08 -0.97 -2.45 114.38 116.10 3k3f h ARG 330 Ca -0.00 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3k3f h ARG 330 Cb 1.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3k3f h ARG 330 CO 0.08 0.76 -1.26 0.66 -1.07 0.00 0.00 179.97 179.15 3k3f h SER 331 N 0.77 0.00 -0.66 7.04 4.64 -1.34 -3.23 113.55 120.77 3k3f h SER 331 Ca 0.16 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 3k3f h SER 331 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3k3f h SER 331 CO 0.01 0.39 0.29 0.25 -0.87 0.00 0.00 176.83 176.90 3k3f h LEU 332 N 0.00 0.89 0.00 5.97 5.85 -1.45 -2.73 115.31 123.84 3k3f h LEU 332 Ca -0.11 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3k3f h LEU 332 Cb 1.39 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3k3f h LEU 332 CO 0.03 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 3k3f n ALA 333 N -2.37 2.40 0.88 1.25 0.00 -0.93 -5.11 120.51 116.63 3k3f n ALA 333 Ca 0.05 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3k3f n ALA 333 Cb 0.15 -1.40 0.09 0.00 0.00 0.00 0.00 19.45 18.29 3k3f n ALA 333 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61