#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2n n ASN -1 N 0.00 0.00 -0.04 4.04 6.94 -1.26 -3.69 115.26 121.26 3k2n n ASN -1 Ca 0.00 0.28 -0.09 0.00 -0.02 0.00 0.00 54.58 54.75 3k2n n ASN -1 Cb 0.00 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 3k2n n ASN -1 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k2n h ALA 0 N 2.97 0.17 -0.18 -2.53 0.00 -2.03 0.12 119.26 117.78 3k2n h ALA 0 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3k2n h ALA 0 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3k2n h ALA 0 CO 0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 179.25 178.27 3k2n h ALA 1 N 1.15 0.68 -0.56 0.00 0.00 -2.00 -2.59 119.26 115.93 3k2n h ALA 1 Ca 0.09 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.50 3k2n h ALA 1 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3k2n h ALA 1 CO -0.13 0.69 0.35 1.25 0.00 0.00 0.00 179.25 181.41 3k2n h LEU 2 N 0.43 0.58 -0.56 0.00 6.46 -1.61 -2.92 115.31 117.68 3k2n h LEU 2 Ca 0.00 -0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 3k2n h LEU 2 Cb 1.11 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 3k2n h LEU 2 CO 0.11 0.41 -0.68 0.11 -0.62 0.00 0.00 178.44 177.76 3k2n h LYS 3 N 0.69 0.19 -0.74 1.25 1.57 -0.68 -2.00 116.57 116.86 3k2n h LYS 3 Ca 0.22 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k2n h LYS 3 Cb -0.01 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3k2n h LYS 3 CO -0.08 0.80 0.00 -0.11 -0.57 0.00 0.00 179.45 179.49 3k2n n LEU 4 N -3.80 0.55 0.00 2.94 7.94 -0.98 -0.82 117.00 122.83 3k2n n LEU 4 Ca -0.02 -0.27 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 3k2n n LEU 4 Cb 0.67 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3k2n n LEU 4 CO 0.45 0.11 0.00 0.00 -1.11 0.00 0.00 177.39 176.84 3k2n n GLN 6 N 0.48 0.00 -0.08 1.96 6.02 -0.75 -1.14 117.38 123.87 3k2n n GLN 6 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3k2n n GLN 6 Cb 0.11 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.36 3k2n n GLN 6 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3k2n h TYR 7 N 0.00 0.29 -0.24 1.08 5.03 -1.26 -0.05 116.97 121.82 3k2n h TYR 7 Ca 0.00 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.33 3k2n h TYR 7 Cb 0.00 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 3k2n h TYR 7 CO 0.00 0.16 0.15 0.82 -1.32 0.00 0.00 178.16 177.97 3k2n h ILE 8 N 0.32 1.04 -0.19 1.81 1.08 -1.40 0.91 117.51 121.08 3k2n h ILE 8 Ca 0.12 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 3k2n h ILE 8 Cb 0.02 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 3k2n h ILE 8 CO -0.07 0.05 -0.30 1.23 -0.69 0.00 0.00 178.15 178.38 3k2n h GLY 9 N 0.30 -0.35 0.39 5.37 0.00 -1.76 0.11 103.07 107.12 3k2n h GLY 9 Ca 0.09 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.86 3k2n h GLY 9 CO -0.04 -0.21 -0.05 -1.80 0.00 0.00 0.00 176.54 174.44 3k2n h ASP 10 N -0.34 -0.24 -0.97 0.19 1.82 -0.77 -2.20 116.42 113.91 3k2n h ASP 10 Ca 0.11 0.09 0.05 0.00 -0.39 0.00 0.00 57.03 56.90 3k2n h ASP 10 Cb 0.52 0.18 -0.06 0.00 0.68 0.00 0.00 39.33 40.65 3k2n h ASP 10 CO -0.38 -0.08 0.63 0.00 -1.61 0.00 0.00 179.24 177.80 3k2n h ALA 11 N 1.32 1.32 -0.47 -0.78 0.00 0.23 -2.45 119.26 118.44 3k2n h ALA 11 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k2n h ALA 11 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k2n h ALA 11 CO -0.31 0.45 0.20 0.82 0.00 0.00 0.00 179.25 180.40 3k2n h ILE 12 N 1.17 1.20 -0.08 0.00 2.04 -0.25 0.76 117.51 122.35 3k2n h ILE 12 Ca 0.41 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3k2n h ILE 12 Cb 0.11 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3k2n h ILE 12 CO -0.16 0.23 0.00 0.61 0.00 0.00 0.00 178.15 178.84 3k2n n GLY 13 N -0.81 -0.53 1.47 5.37 0.00 -0.89 -4.34 105.19 105.46 3k2n n GLY 13 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3k2n n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k2n n THR 14 N -0.31 0.56 -1.75 2.61 -1.04 -0.99 -5.04 114.28 108.31 3k2n n THR 14 Ca 0.10 0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.87 3k2n n THR 14 Cb 0.12 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 3k2n n THR 14 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3k2n s ILE 15 N -1.82 2.82 -0.08 12.58 1.01 0.23 -4.92 121.20 131.02 3k2n s ILE 15 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 3k2n s ILE 15 Cb 0.00 -3.10 -0.16 0.00 0.01 0.00 0.00 42.46 39.21 3k2n s ILE 15 CO 0.00 -0.00 0.70 0.03 0.00 0.00 0.00 174.94 175.67 3k2n h ARG 16 N 9.18 -0.10 -6.31 2.79 3.08 -1.90 -3.46 114.38 117.66 3k2n h ARG 16 Ca -0.46 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.05 3k2n h ARG 16 Cb 1.22 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 3k2n h ARG 16 CO 0.94 0.41 0.09 0.34 -1.07 0.00 0.00 179.97 180.69 3k2n s ASP 17 N -5.71 7.19 0.12 7.04 -1.08 -1.26 -5.00 116.67 117.97 3k2n s ASP 17 Ca -0.12 1.41 -0.20 0.00 -0.52 0.00 0.00 52.55 53.12 3k2n s ASP 17 Cb -0.01 -2.43 -0.06 0.00 -1.46 0.00 0.00 42.92 38.96 3k2n s ASP 17 CO 0.46 0.15 1.74 -0.65 0.52 0.00 0.00 175.17 177.39 3k2n h PRO 18 N 5.02 0.13 -0.26 4.34 0.11 -1.99 -2.08 132.00 137.26 3k2n h PRO 18 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3k2n h PRO 18 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k2n h PRO 18 CO 0.68 0.08 0.10 1.96 -0.21 0.00 0.00 178.00 180.61 3k2n h GLN 19 N 0.13 0.36 0.00 1.05 1.08 -1.97 -0.99 115.11 114.77 3k2n h GLN 19 Ca 0.07 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3k2n h GLN 19 Cb 0.05 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3k2n h GLN 19 CO -0.08 0.30 -0.86 1.05 -0.95 0.00 0.00 178.83 178.29 3k2n h GLU 20 N 0.36 0.00 0.66 1.46 4.11 -1.97 -2.96 114.58 116.24 3k2n h GLU 20 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 3k2n h GLU 20 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3k2n h GLU 20 CO -0.01 0.32 -0.32 1.25 0.07 0.00 0.00 179.01 180.33 3k2n h LEU 21 N 0.00 -0.75 -1.22 3.06 6.46 -0.51 -2.66 115.31 119.69 3k2n h LEU 21 Ca -0.06 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3k2n h LEU 21 Cb 1.38 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.50 3k2n h LEU 21 CO 0.05 -0.51 -0.16 -0.26 -0.62 0.00 0.00 178.44 176.93 3k2n h PHE 22 N -0.93 0.00 0.09 1.25 0.04 -1.34 -0.79 116.94 115.26 3k2n h PHE 22 Ca -0.09 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3k2n h PHE 22 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 3k2n h PHE 22 CO -0.02 0.16 -0.04 0.00 -0.60 0.00 0.00 178.31 177.81 3k2n h ARG 23 N 0.00 -0.11 -0.75 1.51 3.08 -1.53 -1.35 114.38 115.23 3k2n h ARG 23 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3k2n h ARG 23 Cb 0.67 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 3k2n h ARG 23 CO 0.02 0.16 0.47 1.15 -1.07 0.00 0.00 179.97 180.70 3k2n h THR 24 N -0.38 1.11 -0.03 2.04 2.02 -0.97 -0.52 112.91 116.17 3k2n h THR 24 Ca -0.01 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 3k2n h THR 24 Cb 0.33 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3k2n h THR 24 CO 0.02 0.17 0.00 0.58 0.37 0.00 0.00 175.52 176.66 3k2n h VAL 25 N 0.92 1.23 -0.73 3.16 2.07 -1.21 -2.47 116.25 119.22 3k2n h VAL 25 Ca 0.30 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3k2n h VAL 25 Cb 0.02 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3k2n h VAL 25 CO -0.11 0.18 0.35 0.74 0.02 0.00 0.00 177.57 178.76 3k2n h THR 26 N -0.23 0.81 -0.66 2.57 2.02 -1.02 -1.04 112.91 115.37 3k2n h THR 26 Ca 0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3k2n h THR 26 Cb 0.29 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3k2n h THR 26 CO 0.00 0.11 0.36 -0.78 0.37 0.00 0.00 175.52 175.57 3k2n h ASP 27 N 0.58 0.83 0.07 4.18 -0.00 -1.01 -2.97 116.42 118.10 3k2n h ASP 27 Ca 0.37 -0.10 -0.15 0.00 -0.00 0.00 0.00 57.03 57.14 3k2n h ASP 27 Cb 0.43 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.54 3k2n h ASP 27 CO -0.29 0.69 -0.54 0.11 -0.00 0.00 0.00 179.24 179.21 3k2n h LYS 28 N 0.90 0.51 -0.35 0.28 6.56 -1.00 -2.44 116.57 121.02 3k2n h LYS 28 Ca 0.23 -0.32 0.10 0.00 -1.06 0.00 0.00 60.65 59.61 3k2n h LYS 28 Cb 0.05 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 3k2n h LYS 28 CO -0.04 0.92 0.64 -0.07 -2.06 0.00 0.00 179.45 178.85 3k2n h LEU 29 N 0.39 0.00 0.00 2.94 3.38 -1.03 -0.16 115.31 120.83 3k2n h LEU 29 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k2n h LEU 29 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k2n h LEU 29 CO 0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.17 3k2n n ARG 30 N -3.20 0.25 0.04 1.13 1.74 -0.92 -1.24 116.66 114.47 3k2n n ARG 30 Ca 0.07 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3k2n n ARG 30 Cb 0.78 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.60 3k2n n ARG 30 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3k2n h LEU 31 N 0.00 0.00 0.00 0.55 3.38 -1.21 -3.37 115.31 114.65 3k2n h LEU 31 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3k2n h LEU 31 Cb 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3k2n h LEU 31 CO 0.00 0.99 -2.07 0.18 0.09 0.00 0.00 178.44 177.63 3k2n n LEU 32 N -3.28 0.00 -4.17 1.67 4.77 -0.97 -5.04 117.00 109.97 3k2n n LEU 32 Ca -0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 3k2n n LEU 32 Cb 0.96 0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 42.17 3k2n n LEU 32 CO 0.46 0.26 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.94 3k2n s PHE 33 N -2.77 1.43 -0.16 -1.77 0.08 -0.37 -5.11 117.98 109.31 3k2n s PHE 33 Ca -0.08 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 56.57 3k2n s PHE 33 Cb 0.08 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 3k2n s PHE 33 CO 0.75 0.04 0.07 0.00 -0.10 0.00 0.00 175.22 175.97 3k2n s ALA 34 N -0.72 3.48 -0.18 5.36 0.00 -1.26 -4.35 121.76 124.09 3k2n s ALA 34 Ca 0.04 -0.73 -0.32 0.00 0.00 0.00 0.00 51.96 50.95 3k2n s ALA 34 Cb -0.08 -1.86 0.14 0.00 0.00 0.00 0.00 23.12 21.33 3k2n s ALA 34 CO 0.01 0.33 1.15 -0.59 0.00 0.00 0.00 175.76 176.66 3k2n s PHE 35 N -0.09 -0.20 -0.16 0.00 -0.12 -1.26 -4.97 117.98 111.18 3k2n s PHE 35 Ca 0.07 0.24 -0.00 0.00 -0.05 0.00 0.00 56.93 57.19 3k2n s PHE 35 Cb -0.12 0.50 -0.23 0.00 -0.63 0.00 0.00 43.02 42.53 3k2n s PHE 35 CO 0.01 -0.24 0.21 -0.25 -0.05 0.00 0.00 175.22 174.90 3k2n n ASP 36 N 0.25 1.78 -3.87 1.98 8.00 -1.11 -4.99 116.55 118.59 3k2n n ASP 36 Ca -0.04 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3k2n n ASP 36 Cb 0.59 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 3k2n n ASP 36 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k2n s SER 37 N -6.67 0.07 0.04 -2.24 0.01 -0.45 -4.55 113.70 99.91 3k2n s SER 37 Ca -0.23 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.08 3k2n s SER 37 Cb 0.07 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 3k2n s SER 37 CO 0.73 -0.00 -0.16 0.00 0.41 0.00 0.00 173.24 174.22 3k2n s ALA 38 N 0.06 1.35 -0.00 1.44 0.00 -1.26 -0.56 121.76 122.78 3k2n s ALA 38 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3k2n s ALA 38 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 3k2n s ALA 38 CO -0.00 0.27 0.06 0.14 0.00 0.00 0.00 175.76 176.23 3k2n s VAL 39 N -0.83 0.07 -0.22 0.00 -7.23 -0.12 -4.51 120.40 107.56 3k2n s VAL 39 Ca 0.03 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 3k2n s VAL 39 Cb -0.08 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 3k2n s VAL 39 CO 0.01 -0.30 0.05 -0.63 -0.31 0.00 0.00 175.10 173.93 3k2n s ILE 40 N -0.94 4.32 -0.03 -0.62 1.01 0.38 -0.50 121.20 124.81 3k2n s ILE 40 Ca -0.10 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3k2n s ILE 40 Cb -0.06 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3k2n s ILE 40 CO 0.00 0.39 -0.21 -0.63 0.00 0.00 0.00 174.94 174.50 3k2n s ILE 41 N 1.13 2.51 0.06 2.92 1.09 -0.36 -0.25 121.20 128.29 3k2n s ILE 41 Ca 0.04 -0.93 0.03 0.00 -1.10 0.00 0.00 60.65 58.69 3k2n s ILE 41 Cb -0.14 -1.93 -0.04 0.00 -1.06 0.00 0.00 42.46 39.29 3k2n s ILE 41 CO 0.03 0.58 0.03 0.42 -0.10 0.00 0.00 174.94 175.90 3k2n s THR 42 N -0.64 4.24 -0.11 2.92 -4.23 0.05 -0.39 115.64 117.47 3k2n s THR 42 Ca 0.10 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3k2n s THR 42 Cb -0.10 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3k2n s THR 42 CO -0.00 0.20 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.60 3k2n s ILE 43 N -1.27 3.86 -0.50 2.99 1.09 0.09 -0.88 121.20 126.58 3k2n s ILE 43 Ca 0.25 -0.40 -0.02 0.00 -1.10 0.00 0.00 60.65 59.38 3k2n s ILE 43 Cb -0.12 -2.64 0.13 0.00 -1.06 0.00 0.00 42.46 38.78 3k2n s ILE 43 CO 0.17 0.55 0.30 -0.62 -0.10 0.00 0.00 174.94 175.24 3k2n s ASP 44 N -0.30 5.18 0.15 3.58 -1.08 -0.24 -4.79 116.67 119.17 3k2n s ASP 44 Ca 0.05 -2.43 -0.15 0.00 -0.52 0.00 0.00 52.55 49.50 3k2n s ASP 44 Cb -0.13 -1.82 0.01 0.00 -1.46 0.00 0.00 42.92 39.53 3k2n s ASP 44 CO 0.02 -0.45 1.74 -0.09 0.52 0.00 0.00 175.17 176.91 3k2n h ARG 45 N 7.54 0.61 -0.28 4.34 2.43 -1.93 0.19 114.38 127.29 3k2n h ARG 45 Ca -0.08 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 58.85 3k2n h ARG 45 Cb 1.00 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3k2n h ARG 45 CO 0.70 0.51 -0.45 0.93 -1.51 0.00 0.00 179.97 180.15 3k2n h GLU 46 N 0.56 0.80 0.00 0.20 4.39 -1.96 -2.65 114.58 115.91 3k2n h GLU 46 Ca 0.15 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3k2n h GLU 46 Cb 0.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3k2n h GLU 46 CO -0.02 1.12 0.00 0.54 -1.16 0.00 0.00 179.01 179.48 3k2n n ARG 47 N -4.11 0.03 -3.38 2.33 1.74 -1.12 -4.93 116.66 107.22 3k2n n ARG 47 Ca -0.04 0.10 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 3k2n n ARG 47 Cb 0.57 -1.54 0.08 0.00 -1.02 0.00 0.00 32.46 30.55 3k2n n ARG 47 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k2n n ARG 48 N -1.60 -4.87 -4.10 5.56 1.74 0.62 -4.91 116.66 109.11 3k2n n ARG 48 Ca 0.06 0.84 -0.10 0.00 -0.77 0.00 0.00 57.85 57.88 3k2n n ARG 48 Cb 0.30 -5.81 -0.10 0.00 -1.02 0.00 0.00 32.46 25.83 3k2n n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3k2n s GLU 49 N -5.04 0.63 -0.01 5.56 2.02 -0.88 -1.26 118.70 119.74 3k2n s GLU 49 Ca 0.18 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 54.11 3k2n s GLU 49 Cb -0.02 -0.04 -0.01 0.00 0.10 0.00 0.00 34.13 34.16 3k2n s GLU 49 CO 0.74 -0.04 -0.12 0.00 0.02 0.00 0.00 175.26 175.86 3k2n s ALA 50 N -3.03 0.96 -0.02 5.21 0.00 -0.21 -1.08 121.76 123.58 3k2n s ALA 50 Ca 0.03 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.55 3k2n s ALA 50 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3k2n s ALA 50 CO -0.05 0.23 -0.24 -1.12 0.00 0.00 0.00 175.76 174.59 3k2n s SER 51 N -0.30 2.76 -0.29 0.00 0.01 -0.06 -2.10 113.70 113.71 3k2n s SER 51 Ca 0.04 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 3k2n s SER 51 Cb -0.05 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.86 3k2n s SER 51 CO -0.00 0.29 1.43 -0.69 0.41 0.00 0.00 173.24 174.68 3k2n s VAL 52 N -0.55 3.94 -0.08 3.43 1.01 0.37 -0.77 120.40 127.75 3k2n s VAL 52 Ca 0.09 1.04 0.11 0.00 0.00 0.00 0.00 61.98 63.23 3k2n s VAL 52 Cb -0.09 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 3k2n s VAL 52 CO -0.01 -0.46 0.52 0.33 0.00 0.00 0.00 175.10 175.49 3k2n n PHE 53 N 8.16 0.85 -3.61 5.22 -0.00 0.65 -4.93 117.46 123.80 3k2n n PHE 53 Ca 0.17 0.29 -0.10 0.00 -0.00 0.00 0.00 57.45 57.80 3k2n n PHE 53 Cb 0.46 -1.15 -0.06 0.00 -0.00 0.00 0.00 39.48 38.73 3k2n n PHE 53 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3k2n s PHE 54 N -2.58 -0.45 0.00 -5.13 5.36 -0.92 -4.96 117.98 109.31 3k2n s PHE 54 Ca -0.08 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3k2n s PHE 54 Cb 0.08 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3k2n s PHE 54 CO 0.82 -0.29 0.00 -0.85 -1.46 0.00 0.00 175.22 173.44 3k2n n GLU 55 N 1.61 0.00 0.00 10.12 0.28 -1.26 -0.47 120.64 130.92 3k2n n GLU 55 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 3k2n n GLU 55 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 3k2n n GLU 55 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3k2n n LEU 57 N 0.00 0.00 -0.12 -1.84 4.77 -1.26 -5.01 117.00 113.54 3k2n n LEU 57 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3k2n n LEU 57 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3k2n n LEU 57 CO 0.00 0.00 0.08 0.54 -1.33 0.00 0.00 177.39 176.68 3k2n n ARG 58 N -0.20 2.42 -3.78 3.23 1.74 -1.26 -4.97 116.66 113.84 3k2n n ARG 58 Ca 0.00 -0.29 -0.24 0.00 -0.77 0.00 0.00 57.85 56.55 3k2n n ARG 58 Cb 0.00 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3k2n n ARG 58 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3k2n s PHE 59 N -1.99 1.96 -0.11 -1.55 -0.71 -1.26 -5.13 117.98 109.19 3k2n s PHE 59 Ca 0.07 -0.73 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 3k2n s PHE 59 Cb 0.10 -2.00 0.02 0.00 -1.21 0.00 0.00 43.02 39.93 3k2n s PHE 59 CO 0.45 -0.38 -0.09 -1.21 -1.34 0.00 0.00 175.22 172.66 3k2n s GLU 60 N -4.24 1.61 0.49 1.99 0.41 -1.26 -5.15 118.70 112.56 3k2n s GLU 60 Ca 0.40 -0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.61 3k2n s GLU 60 Cb -0.02 -1.59 -0.02 0.00 -1.78 0.00 0.00 34.13 30.72 3k2n s GLU 60 CO 0.24 -0.22 0.78 -0.48 -0.49 0.00 0.00 175.26 175.10 3k2n s LEU 61 N 1.51 3.56 1.05 1.80 2.34 -1.26 -5.08 118.68 122.60 3k2n s LEU 61 Ca 0.02 0.76 -0.12 0.00 0.06 0.00 0.00 54.13 54.84 3k2n s LEU 61 Cb -0.13 -3.67 0.22 0.00 -0.56 0.00 0.00 46.19 42.05 3k2n s LEU 61 CO -0.06 -0.69 1.07 -2.84 -1.06 0.00 0.00 176.35 172.77 3k2n s PRO 62 N -4.75 0.02 0.10 1.48 0.02 -1.26 -4.90 135.00 125.71 3k2n s PRO 62 Ca 0.49 0.62 -0.15 0.00 0.02 0.00 0.00 61.00 61.98 3k2n s PRO 62 Cb -0.10 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 3k2n s PRO 62 CO 0.43 -3.03 1.39 1.49 -0.33 0.00 0.00 177.00 176.95 3k2n h GLU 63 N -2.12 0.72 -0.69 5.54 4.81 -1.98 -2.98 114.58 117.88 3k2n h GLU 63 Ca -0.57 -0.42 0.11 0.00 -0.13 0.00 0.00 59.36 58.35 3k2n h GLU 63 Cb 1.33 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.70 3k2n h GLU 63 CO 0.55 1.04 0.46 1.96 -0.73 0.00 0.00 179.01 182.29 3k2n h GLN 64 N 0.45 0.50 -0.66 1.92 7.50 -2.03 0.40 115.11 123.19 3k2n h GLN 64 Ca 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k2n h GLN 64 Cb 0.97 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.38 3k2n h GLN 64 CO 0.09 0.33 0.00 1.28 -1.50 0.00 0.00 178.83 179.03 3k2n n LEU 65 N -4.48 4.10 -1.06 1.46 4.77 -1.16 -4.18 117.00 116.44 3k2n n LEU 65 Ca 0.12 -2.07 0.05 0.00 -0.03 0.00 0.00 56.01 54.07 3k2n n LEU 65 Cb 0.38 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 41.16 3k2n n LEU 65 CO 0.33 0.57 0.74 0.54 -1.33 0.00 0.00 177.39 178.24 3k2n n ARG 66 N 0.60 2.86 -2.65 3.23 1.74 0.14 -4.90 116.66 117.67 3k2n n ARG 66 Ca 0.20 -2.93 -0.40 0.00 -0.77 0.00 0.00 57.85 53.94 3k2n n ARG 66 Cb 0.83 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 3k2n n ARG 66 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3k2n s HIS 67 N -2.92 3.81 0.32 -1.55 3.76 -1.25 -4.96 115.29 112.50 3k2n s HIS 67 Ca 0.44 1.81 0.04 0.00 -0.15 0.00 0.00 55.06 57.20 3k2n s HIS 67 Cb 0.36 -3.10 0.56 0.00 1.11 0.00 0.00 32.58 31.51 3k2n s HIS 67 CO 0.08 0.04 1.84 0.37 -0.85 0.00 0.00 174.74 176.22 3k2n h GLN 68 N 4.44 0.51 -4.70 1.40 4.15 -1.94 -3.43 115.11 115.54 3k2n h GLN 68 Ca -0.45 -0.13 -0.46 0.00 0.77 0.00 0.00 58.65 58.38 3k2n h GLN 68 Cb 1.21 -0.07 -0.31 0.00 0.21 0.00 0.00 27.48 28.52 3k2n h GLN 68 CO 0.69 0.58 -0.80 0.99 -1.93 0.00 0.00 178.83 178.36 3k2n s THR 69 N -4.87 0.94 0.07 2.39 2.01 -1.26 -0.48 115.64 114.45 3k2n s THR 69 Ca -0.07 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 3k2n s THR 69 Cb 0.15 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 3k2n s THR 69 CO 0.77 0.29 0.17 0.00 -0.69 0.00 0.00 174.62 175.16 3k2n s ARG 70 N 0.25 0.77 0.53 4.92 1.70 -0.89 -4.97 118.95 121.26 3k2n s ARG 70 Ca -0.05 -0.88 -0.20 0.00 -0.47 0.00 0.00 55.73 54.13 3k2n s ARG 70 Cb -0.10 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 3k2n s ARG 70 CO 0.01 -0.23 1.15 0.45 -1.08 0.00 0.00 175.30 175.60 3k2n s SER 71 N -2.61 5.75 -0.04 -2.89 0.15 -1.26 -1.05 113.70 111.75 3k2n s SER 71 Ca 0.02 2.25 0.06 0.00 0.70 0.00 0.00 55.95 58.97 3k2n s SER 71 Cb 0.03 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 3k2n s SER 71 CO -0.09 -1.20 0.96 2.30 1.20 0.00 0.00 173.24 176.42 3k2n n ILE 72 N -1.14 0.99 -1.63 6.45 -5.35 -0.39 -4.81 119.36 113.48 3k2n n ILE 72 Ca 0.11 -1.10 -0.48 0.00 -0.27 0.00 0.00 62.75 61.01 3k2n n ILE 72 Cb 0.50 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.71 3k2n n ILE 72 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k2n n ALA 73 N -0.64 1.08 -1.04 -1.28 0.00 -1.24 -1.38 120.51 116.00 3k2n n ALA 73 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 3k2n n ALA 73 Cb 0.46 -2.58 -0.01 0.00 0.00 0.00 0.00 19.45 17.32 3k2n n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2n n GLY 74 N 4.96 0.46 3.95 0.00 0.00 -1.26 -5.02 105.19 108.28 3k2n n GLY 74 Ca 0.26 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3k2n n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k2n s THR 75 N -1.79 4.15 0.31 2.61 -4.23 -0.48 -4.98 115.64 111.22 3k2n s THR 75 Ca 0.00 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 3k2n s THR 75 Cb 0.00 -3.52 0.30 0.00 1.34 0.00 0.00 72.50 70.62 3k2n s THR 75 CO 0.00 -0.35 1.81 4.11 -0.54 0.00 0.00 174.62 179.65 3k2n h TRP 76 N 0.49 1.05 -0.27 3.99 5.08 -1.90 -1.61 115.95 122.78 3k2n h TRP 76 Ca -0.47 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.47 3k2n h TRP 76 Cb 1.25 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 27.07 3k2n h TRP 76 CO 0.46 0.31 -0.13 1.25 -1.28 0.00 0.00 178.44 179.05 3k2n h LEU 77 N 0.83 0.44 -2.58 0.11 5.85 -1.94 -2.37 115.31 115.64 3k2n h LEU 77 Ca 0.54 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 3k2n h LEU 77 Cb 0.76 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3k2n h LEU 77 CO -0.32 0.60 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.29 3k2n h GLU 78 N 0.42 0.00 -0.00 1.25 4.81 -1.48 0.54 114.58 120.13 3k2n h GLU 78 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3k2n h GLU 78 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3k2n h GLU 78 CO 0.03 0.02 -0.01 0.41 -0.73 0.00 0.00 179.01 178.73 3k2n n GLY 79 N -0.99 -1.36 1.19 1.92 0.00 -0.89 -3.20 105.19 101.85 3k2n n GLY 79 Ca -0.03 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3k2n n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2n n HIS 80 N -1.36 0.58 0.09 1.61 8.25 0.18 -4.58 115.22 120.00 3k2n n HIS 80 Ca 0.12 -0.30 0.06 0.00 -0.26 0.00 0.00 57.72 57.33 3k2n n HIS 80 Cb 0.28 -0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.69 3k2n n HIS 80 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3k2n n LEU 81 N 1.51 0.29 -0.42 2.41 4.32 -1.20 -1.47 117.00 122.44 3k2n n LEU 81 Ca 0.20 0.59 0.05 0.00 -0.02 0.00 0.00 56.01 56.83 3k2n n LEU 81 Cb 0.61 -0.61 0.13 0.00 -1.62 0.00 0.00 43.42 41.92 3k2n n LEU 81 CO 0.16 -0.69 0.60 0.47 -1.22 0.00 0.00 177.39 176.71 3k2n n ASP 82 N -1.88 2.76 -4.75 -1.43 10.43 -1.26 -4.59 116.55 115.82 3k2n n ASP 82 Ca -0.01 -2.33 -0.41 0.00 2.57 0.00 0.00 54.79 54.61 3k2n n ASP 82 Cb 0.09 -0.25 -0.02 0.00 1.84 0.00 0.00 41.12 42.78 3k2n n ASP 82 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3k2n s ASP 83 N -1.42 6.66 -0.15 -2.24 1.01 -0.55 -4.93 116.67 115.06 3k2n s ASP 83 Ca 0.21 2.70 0.15 0.00 0.71 0.00 0.00 52.55 56.32 3k2n s ASP 83 Cb 0.15 -2.63 -0.24 0.00 1.01 0.00 0.00 42.92 41.20 3k2n s ASP 83 CO 0.08 -0.67 0.25 0.54 0.21 0.00 0.00 175.17 175.58 3k2n n ARG 84 N 1.81 0.67 -4.30 8.23 5.12 -1.26 -4.83 116.66 122.10 3k2n n ARG 84 Ca 0.05 0.10 -0.26 0.00 -1.93 0.00 0.00 57.85 55.81 3k2n n ARG 84 Cb 0.41 -1.61 -0.08 0.00 -1.16 0.00 0.00 32.46 30.01 3k2n n ARG 84 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3k2n s THR 85 N -2.53 2.17 0.43 0.55 -4.23 -1.26 -4.90 115.64 105.88 3k2n s THR 85 Ca -0.10 -1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 58.37 3k2n s THR 85 Cb 0.07 -2.97 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 3k2n s THR 85 CO 0.82 0.00 1.18 -0.69 -0.54 0.00 0.00 174.62 175.38 3k2n s VAL 86 N -2.64 3.08 -0.17 2.29 1.01 -1.26 -4.61 120.40 118.10 3k2n s VAL 86 Ca 0.38 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.23 3k2n s VAL 86 Cb 0.06 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3k2n s VAL 86 CO 0.21 0.03 -0.18 -0.89 0.00 0.00 0.00 175.10 174.27 3k2n s THR 87 N -1.47 2.31 -0.26 3.92 2.01 0.32 -4.97 115.64 117.50 3k2n s THR 87 Ca 0.61 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 3k2n s THR 87 Cb -0.30 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.27 3k2n s THR 87 CO 0.37 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.09 3k2n s VAL 88 N 1.05 2.92 -0.02 3.82 1.01 -1.26 0.34 120.40 128.26 3k2n s VAL 88 Ca -0.01 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.93 3k2n s VAL 88 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3k2n s VAL 88 CO -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 175.10 175.06 3k2n s ALA 89 N 1.32 1.10 -0.08 5.51 0.00 -0.61 -5.02 121.76 123.97 3k2n s ALA 89 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3k2n s ALA 89 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3k2n s ALA 89 CO -0.04 0.24 1.47 0.45 0.00 0.00 0.00 175.76 177.89 3k2n s SER 90 N -0.15 6.80 0.20 0.00 0.15 -1.26 -1.62 113.70 117.82 3k2n s SER 90 Ca 0.02 2.04 -0.11 0.00 0.70 0.00 0.00 55.95 58.60 3k2n s SER 90 Cb -0.07 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 61.95 3k2n s SER 90 CO 0.00 -0.83 1.72 0.40 1.20 0.00 0.00 173.24 175.73 3k2n h ILE 91 N 5.40 0.71 0.00 6.45 2.04 -1.50 0.32 117.51 130.93 3k2n h ILE 91 Ca -0.35 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3k2n h ILE 91 Cb 1.15 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3k2n h ILE 91 CO 0.95 0.05 -0.54 0.00 0.00 0.00 0.00 178.15 178.61 3k2n h ALA 92 N 1.42 0.68 0.00 1.87 0.00 -1.92 -3.39 119.26 117.92 3k2n h ALA 92 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3k2n h ALA 92 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k2n h ALA 92 CO -0.34 0.00 -1.35 0.54 0.00 0.00 0.00 179.25 178.10 3k2n n ARG 93 N -2.37 1.26 0.00 0.00 5.12 -1.10 -4.84 116.66 114.75 3k2n n ARG 93 Ca 0.03 0.02 0.12 0.00 -1.93 0.00 0.00 57.85 56.09 3k2n n ARG 93 Cb 0.47 -1.13 0.29 0.00 -1.16 0.00 0.00 32.46 30.94 3k2n n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3k2n n ASP 94 N -2.50 0.45 -4.12 0.55 10.43 0.11 -4.77 116.55 116.71 3k2n n ASP 94 Ca -0.10 -0.12 -0.34 0.00 2.57 0.00 0.00 54.79 56.80 3k2n n ASP 94 Cb 0.63 0.15 -0.14 0.00 1.84 0.00 0.00 41.12 43.60 3k2n n ASP 94 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3k2n s ILE 95 N -3.01 2.70 0.56 0.53 1.01 -1.24 -4.94 121.20 116.81 3k2n s ILE 95 Ca 0.11 -1.67 0.25 0.00 0.00 0.00 0.00 60.65 59.34 3k2n s ILE 95 Cb 0.17 -2.66 0.35 0.00 0.01 0.00 0.00 42.46 40.33 3k2n s ILE 95 CO 0.68 -0.23 2.11 -0.65 0.00 0.00 0.00 174.94 176.85 3k2n h PRO 96 N 7.89 0.00 -0.01 2.79 0.11 -1.93 -0.81 132.00 140.03 3k2n h PRO 96 Ca -0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3k2n h PRO 96 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3k2n h PRO 96 CO 0.53 0.00 -0.38 0.77 -0.21 0.00 0.00 178.00 178.71 3k2n h SER 97 N 0.00 0.03 -1.22 -2.05 0.02 -1.97 -3.47 113.55 104.89 3k2n h SER 97 Ca 0.09 -0.01 -0.81 0.00 -0.84 0.00 0.00 61.79 60.22 3k2n h SER 97 Cb 0.42 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.97 3k2n h SER 97 CO -0.00 0.41 0.64 0.33 -1.14 0.00 0.00 176.83 177.07 3k2n n PHE 98 N -4.08 1.65 0.00 3.45 7.35 -0.31 -4.37 117.46 121.16 3k2n n PHE 98 Ca -0.02 0.91 0.00 0.00 -0.76 0.00 0.00 57.45 57.58 3k2n n PHE 98 Cb 0.42 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.96 3k2n n PHE 98 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3k2n n GLY 99 N 3.54 1.43 0.00 7.13 0.00 -1.26 -4.95 105.19 111.08 3k2n n GLY 99 Ca 0.27 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.37 3k2n n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2n n ALA 100 N -0.61 1.68 -1.00 4.61 0.00 -1.26 -3.63 120.51 120.29 3k2n n ALA 100 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3k2n n ALA 100 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3k2n n ALA 100 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k2n n ASP 101 N -1.36 0.00 -0.47 0.00 5.68 -1.26 -4.40 116.55 114.73 3k2n n ASP 101 Ca 0.05 0.09 0.09 0.00 -0.50 0.00 0.00 54.79 54.51 3k2n n ASP 101 Cb 0.12 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 3k2n n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k2n n GLY 102 N 1.05 0.08 2.62 6.12 0.00 -1.26 -4.51 105.19 109.29 3k2n n GLY 102 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 3k2n n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2n n ALA 103 N 0.13 3.83 -0.17 4.61 0.00 -1.24 -4.89 120.51 122.78 3k2n n ALA 103 Ca 0.08 -4.35 -0.03 0.00 0.00 0.00 0.00 53.44 49.14 3k2n n ALA 103 Cb 0.40 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.11 3k2n n ALA 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k2n h PRO 104 N 3.32 0.38 0.05 0.00 0.11 -1.77 0.13 132.00 134.22 3k2n h PRO 104 Ca 0.13 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.24 3k2n h PRO 104 Cb 0.66 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 3k2n h PRO 104 CO 0.73 0.25 -0.49 1.25 -0.21 0.00 0.00 178.00 179.53 3k2n h LEU 105 N 0.39 -1.50 -1.10 2.35 6.46 -1.92 0.12 115.31 120.11 3k2n h LEU 105 Ca 0.25 0.16 0.17 0.00 -0.12 0.00 0.00 57.88 58.35 3k2n h LEU 105 Cb 0.26 0.56 -0.09 0.00 -0.73 0.00 0.00 40.66 40.66 3k2n h LEU 105 CO -0.24 -0.50 0.61 -0.07 -0.62 0.00 0.00 178.44 177.62 3k2n h LEU 106 N -0.66 0.76 -0.36 2.25 3.38 -1.82 0.18 115.31 119.05 3k2n h LEU 106 Ca 0.00 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3k2n h LEU 106 Cb 0.68 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3k2n h LEU 106 CO -0.30 0.32 -0.27 -0.25 0.09 0.00 0.00 178.44 178.03 3k2n h TRP 107 N 0.77 0.96 -0.52 1.13 2.91 -0.35 -1.34 115.95 119.51 3k2n h TRP 107 Ca 0.53 -0.27 -0.11 0.00 1.13 0.00 0.00 58.89 60.18 3k2n h TRP 107 Cb 0.82 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 3k2n h TRP 107 CO -0.00 1.04 -0.11 1.15 -1.03 0.00 0.00 178.44 179.49 3k2n h THR 108 N 0.60 1.27 -0.81 2.65 2.02 0.04 -0.67 112.91 118.01 3k2n h THR 108 Ca 0.07 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 3k2n h THR 108 Cb 0.84 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3k2n h THR 108 CO 0.07 0.44 0.46 -0.07 0.37 0.00 0.00 175.52 176.79 3k2n h LEU 109 N 0.87 0.99 -0.22 2.58 3.38 -0.48 0.70 115.31 123.13 3k2n h LEU 109 Ca 0.14 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3k2n h LEU 109 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3k2n h LEU 109 CO 0.05 0.79 -0.02 -0.74 0.09 0.00 0.00 178.44 178.60 3k2n h HIS 110 N 1.12 0.45 -0.67 1.13 2.76 -1.05 -2.67 115.15 116.21 3k2n h HIS 110 Ca 0.29 -0.09 0.13 0.00 -2.20 0.00 0.00 60.37 58.51 3k2n h HIS 110 Cb -0.00 -0.11 -0.13 0.00 1.55 0.00 0.00 27.41 28.71 3k2n h HIS 110 CO -0.00 0.61 -0.18 1.49 -1.30 0.00 0.00 177.93 178.55 3k2n h GLU 111 N 0.16 -0.01 0.00 5.26 4.57 -0.76 0.23 114.58 124.03 3k2n h GLU 111 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3k2n h GLU 111 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3k2n h GLU 111 CO 0.02 -0.01 0.08 -0.07 -1.18 0.00 0.00 179.01 177.84 3k2n h LEU 112 N -0.01 0.00 0.00 1.64 4.07 -0.54 -3.51 115.31 116.96 3k2n h LEU 112 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 3k2n h LEU 112 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3k2n h LEU 112 CO -0.70 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.27 3k2n n GLY 113 N -1.12 0.07 0.00 0.83 0.00 0.79 -5.10 105.19 100.66 3k2n n GLY 113 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3k2n n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2n n ARG 115 N 0.04 0.00 -3.90 1.61 5.12 0.39 -4.32 116.66 115.60 3k2n n ARG 115 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 3k2n n ARG 115 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 3k2n n ARG 115 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3k2n s GLN 116 N -0.15 0.07 -0.07 5.56 0.74 -0.94 -1.15 119.66 123.71 3k2n s GLN 116 Ca 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.42 3k2n s GLN 116 Cb 0.00 -0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.02 3k2n s GLN 116 CO 0.00 -0.01 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.14 3k2n s ILE 117 N 0.15 0.92 -0.13 -2.34 -1.16 -0.64 -1.08 121.20 116.92 3k2n s ILE 117 Ca -0.01 -0.32 -0.02 0.00 -0.51 0.00 0.00 60.65 59.78 3k2n s ILE 117 Cb -0.02 -0.88 -0.03 0.00 0.61 0.00 0.00 42.46 42.14 3k2n s ILE 117 CO -0.00 0.32 -0.05 -0.69 -2.81 0.00 0.00 174.94 171.71 3k2n s VAL 118 N 0.97 3.85 -0.18 4.00 1.01 0.40 -1.58 120.40 128.87 3k2n s VAL 118 Ca -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3k2n s VAL 118 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3k2n s VAL 118 CO 0.00 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.80 3k2n s LEU 119 N -0.01 2.87 -0.30 3.92 1.43 0.15 -1.64 118.68 125.10 3k2n s LEU 119 Ca 0.01 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3k2n s LEU 119 Cb -0.13 -1.70 0.08 0.00 0.03 0.00 0.00 46.19 44.47 3k2n s LEU 119 CO 0.03 0.07 -0.00 -0.55 0.23 0.00 0.00 176.35 176.12 3k2n s SER 120 N 0.96 4.47 0.41 2.29 0.15 0.41 -0.52 113.70 121.87 3k2n s SER 120 Ca -0.01 -1.75 -0.25 0.00 0.70 0.00 0.00 55.95 54.64 3k2n s SER 120 Cb -0.15 -1.46 -0.10 0.00 -1.71 0.00 0.00 66.02 62.60 3k2n s SER 120 CO 0.00 -0.31 1.21 -0.81 1.20 0.00 0.00 173.24 174.53 3k2n n PRO 121 N 4.42 1.80 -4.50 5.44 -0.04 -1.26 -0.58 135.00 140.28 3k2n n PRO 121 Ca -0.04 0.64 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 3k2n n PRO 121 Cb 0.42 -2.29 -0.14 0.00 -0.04 0.00 0.00 33.50 31.46 3k2n n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k2n s LEU 122 N -1.34 2.88 0.15 1.53 1.02 -0.08 -4.81 118.68 118.04 3k2n s LEU 122 Ca 0.61 -0.29 0.10 0.00 0.02 0.00 0.00 54.13 54.57 3k2n s LEU 122 Cb -0.53 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3k2n s LEU 122 CO 0.58 0.13 -0.18 -0.13 0.02 0.00 0.00 176.35 176.77 3k2n s ARG 123 N 0.58 1.75 -0.17 1.70 0.52 -1.26 -0.42 118.95 121.65 3k2n s ARG 123 Ca -0.06 -1.29 -0.09 0.00 -0.52 0.00 0.00 55.73 53.77 3k2n s ARG 123 Cb -0.15 -2.05 0.06 0.00 0.52 0.00 0.00 34.95 33.33 3k2n s ARG 123 CO 0.03 0.45 0.40 0.45 0.02 0.00 0.00 175.30 176.65 3k2n s SER 124 N -2.40 -0.51 -1.42 0.23 0.15 0.09 -4.71 113.70 105.13 3k2n s SER 124 Ca 0.20 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.72 3k2n s SER 124 Cb -0.10 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 3k2n s SER 124 CO 0.11 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3k2n n GLY 125 N 4.25 -0.08 1.21 9.45 0.00 -1.26 -1.06 105.19 117.70 3k2n n GLY 125 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3k2n n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2n n GLY 126 N -0.76 1.05 3.58 -0.02 0.00 -1.26 -5.05 105.19 102.73 3k2n n GLY 126 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3k2n n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k2n s ARG 127 N -0.60 3.33 0.02 1.61 1.70 -0.23 -5.08 118.95 119.71 3k2n s ARG 127 Ca 0.00 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 3k2n s ARG 127 Cb 0.00 -2.84 -0.07 0.00 -0.57 0.00 0.00 34.95 31.47 3k2n s ARG 127 CO 0.00 0.45 1.71 0.08 -1.08 0.00 0.00 175.30 176.46 3k2n s VAL 128 N -0.21 3.21 -0.52 4.99 1.01 -1.26 -0.73 120.40 126.89 3k2n s VAL 128 Ca 0.04 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.58 3k2n s VAL 128 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3k2n s VAL 128 CO 0.02 -0.02 0.42 2.30 0.00 0.00 0.00 175.10 177.82 3k2n n ILE 129 N 5.12 0.00 -2.49 2.22 -6.64 0.44 -4.87 119.36 113.14 3k2n n ILE 129 Ca 0.17 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.78 3k2n n ILE 129 Cb 0.41 1.04 0.00 0.00 -1.44 0.00 0.00 39.64 39.66 3k2n n ILE 129 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3k2n n GLY 130 N 1.01 -1.35 2.94 3.28 0.00 -1.22 -0.74 105.19 109.12 3k2n n GLY 130 Ca 0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 3k2n n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k2n s PHE 131 N -2.76 0.09 -0.09 1.61 0.08 0.47 -0.90 117.98 116.48 3k2n s PHE 131 Ca 0.00 -0.17 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 3k2n s PHE 131 Cb 0.00 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 3k2n s PHE 131 CO 0.00 -0.10 0.51 -1.17 -0.10 0.00 0.00 175.22 174.36 3k2n s LEU 132 N -0.65 4.32 0.01 -0.37 2.96 0.26 -1.23 118.68 123.98 3k2n s LEU 132 Ca -0.07 0.91 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 3k2n s LEU 132 Cb -0.04 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3k2n s LEU 132 CO -0.00 0.04 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.40 3k2n s SER 133 N 0.36 1.39 0.09 3.68 0.15 0.34 -0.44 113.70 119.27 3k2n s SER 133 Ca 0.27 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.70 3k2n s SER 133 Cb -0.16 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 3k2n s SER 133 CO 0.12 0.08 -0.19 -0.36 1.20 0.00 0.00 173.24 174.09 3k2n s PHE 134 N -0.52 2.52 -0.01 3.44 0.08 -0.65 -0.94 117.98 121.89 3k2n s PHE 134 Ca 0.03 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 3k2n s PHE 134 Cb -0.06 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3k2n s PHE 134 CO 0.00 0.33 0.01 0.08 -0.10 0.00 0.00 175.22 175.54 3k2n s VAL 135 N -1.05 -0.01 -0.00 -0.44 1.01 0.27 -0.45 120.40 119.72 3k2n s VAL 135 Ca 0.16 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3k2n s VAL 135 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.25 3k2n s VAL 135 CO 0.08 0.02 0.23 -0.44 0.00 0.00 0.00 175.10 174.99 3k2n s SER 136 N 0.26 -0.09 0.22 3.32 0.01 -0.24 -1.34 113.70 115.83 3k2n s SER 136 Ca -0.02 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.20 3k2n s SER 136 Cb -0.03 0.27 0.18 0.00 0.21 0.00 0.00 66.02 66.65 3k2n s SER 136 CO -0.01 -0.42 1.51 0.00 0.41 0.00 0.00 173.24 174.73 3k2n h ALA 137 N 4.00 0.76 -2.68 1.44 0.00 -1.88 0.12 119.26 121.02 3k2n h ALA 137 Ca -0.30 -0.58 -0.57 0.00 0.00 0.00 0.00 54.91 53.46 3k2n h ALA 137 Cb 1.18 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3k2n h ALA 137 CO 0.41 0.76 -0.58 -1.21 0.00 0.00 0.00 179.25 178.63 3k2n s GLU 138 N -3.67 2.80 -0.68 0.00 2.02 -1.26 -4.18 118.70 113.73 3k2n s GLU 138 Ca -0.04 -0.94 -0.25 0.00 0.02 0.00 0.00 54.97 53.76 3k2n s GLU 138 Cb 0.11 -2.58 0.05 0.00 0.10 0.00 0.00 34.13 31.82 3k2n s GLU 138 CO 0.81 0.47 1.09 -1.21 0.02 0.00 0.00 175.26 176.44 3k2n s GLU 139 N -3.16 3.18 0.18 1.61 2.02 -1.26 -4.53 118.70 116.73 3k2n s GLU 139 Ca 0.30 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 3k2n s GLU 139 Cb -0.10 -4.19 -0.08 0.00 0.10 0.00 0.00 34.13 29.87 3k2n s GLU 139 CO 0.23 -1.90 1.17 0.15 0.02 0.00 0.00 175.26 174.92 3k2n s LYS 140 N 4.71 4.51 -0.05 1.61 -0.14 -1.26 -4.97 119.74 124.16 3k2n s LYS 140 Ca 0.28 1.83 -0.30 0.00 -1.36 0.00 0.00 55.97 56.42 3k2n s LYS 140 Cb -0.13 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 3k2n s LYS 140 CO 0.13 -0.05 1.24 -0.51 -0.76 0.00 0.00 175.35 175.39 3k2n s LEU 141 N -0.20 4.28 -0.26 3.17 1.43 -1.26 -5.01 118.68 120.83 3k2n s LEU 141 Ca 0.52 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.51 3k2n s LEU 141 Cb -0.32 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.41 3k2n s LEU 141 CO 0.36 -0.61 -0.06 0.26 0.23 0.00 0.00 176.35 176.53 3k2n s TRP 142 N 2.24 2.89 0.85 0.29 0.52 -1.26 -5.06 118.94 119.41 3k2n s TRP 142 Ca 0.57 -2.14 -0.12 0.00 0.02 0.00 0.00 56.10 54.43 3k2n s TRP 142 Cb -0.26 -1.89 0.11 0.00 -1.15 0.00 0.00 33.47 30.28 3k2n s TRP 142 CO 0.23 -0.84 1.18 -1.54 0.02 0.00 0.00 176.95 175.99 3k2n s SER 143 N 1.22 4.11 0.33 2.95 1.04 -1.26 -4.90 113.70 117.19 3k2n s SER 143 Ca -0.05 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.18 3k2n s SER 143 Cb -0.19 -1.25 0.57 0.00 0.10 0.00 0.00 66.02 65.25 3k2n s SER 143 CO -0.07 -2.16 1.96 0.44 0.98 0.00 0.00 173.24 174.39 3k2n h ASP 144 N -1.23 0.73 0.04 7.02 3.32 -1.99 -2.38 116.42 121.93 3k2n h ASP 144 Ca -0.47 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.36 3k2n h ASP 144 Cb 1.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3k2n h ASP 144 CO 0.62 0.59 -0.57 1.23 -1.72 0.00 0.00 179.24 179.39 3k2n h GLY 145 N 0.89 0.61 0.63 2.75 0.00 -1.99 -0.46 103.07 105.49 3k2n h GLY 145 Ca 0.21 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.86 3k2n h GLY 145 CO -0.03 0.65 0.04 -0.55 0.00 0.00 0.00 176.54 176.64 3k2n h ASP 146 N 0.42 -0.03 -0.94 0.19 3.32 -1.88 -1.67 116.42 115.82 3k2n h ASP 146 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3k2n h ASP 146 Cb 1.12 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3k2n h ASP 146 CO 0.11 0.02 0.62 0.11 -1.72 0.00 0.00 179.24 178.38 3k2n h LYS 147 N 0.13 1.23 -0.68 3.56 1.57 -0.99 -0.61 116.57 120.79 3k2n h LYS 147 Ca 0.13 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3k2n h LYS 147 Cb 0.15 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3k2n h LYS 147 CO -0.19 0.82 0.14 0.77 -0.57 0.00 0.00 179.45 180.41 3k2n h SER 148 N 1.27 1.04 -0.51 0.86 0.02 -0.89 -0.94 113.55 114.41 3k2n h SER 148 Ca 0.35 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3k2n h SER 148 Cb -0.14 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.11 3k2n h SER 148 CO -0.08 1.02 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.39 3k2n h LEU 149 N 1.04 1.03 -0.38 5.07 4.07 -0.70 -1.83 115.31 123.60 3k2n h LEU 149 Ca 0.21 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 3k2n h LEU 149 Cb 0.39 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 3k2n h LEU 149 CO 0.01 1.17 0.18 0.25 -1.08 0.00 0.00 178.44 178.97 3k2n h LEU 150 N 0.88 0.50 -0.58 1.67 5.85 -0.93 -1.62 115.31 121.08 3k2n h LEU 150 Ca 0.12 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.84 3k2n h LEU 150 Cb 0.74 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.54 3k2n h LEU 150 CO 0.06 0.49 -0.09 0.28 -0.34 0.00 0.00 178.44 178.84 3k2n h SER 151 N 0.48 -0.43 -0.03 1.25 0.02 -0.98 0.36 113.55 114.23 3k2n h SER 151 Ca 0.13 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3k2n h SER 151 Cb 0.12 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3k2n h SER 151 CO -0.02 -0.16 0.01 1.23 -1.14 0.00 0.00 176.83 176.76 3k2n h GLY 152 N 0.04 0.05 1.46 -3.77 0.00 -1.05 -1.89 103.07 97.92 3k2n h GLY 152 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 3k2n h GLY 152 CO -0.56 0.02 0.11 -0.24 0.00 0.00 0.00 176.54 175.88 3k2n h VAL 153 N -0.07 1.20 -0.04 4.60 3.04 -1.07 -2.09 116.25 121.81 3k2n h VAL 153 Ca 0.01 -0.71 -0.03 0.00 -1.01 0.00 0.00 66.70 64.96 3k2n h VAL 153 Cb 0.12 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 3k2n h VAL 153 CO -0.00 0.26 -0.13 0.28 -1.01 0.00 0.00 177.57 176.97 3k2n h SER 154 N 0.66 0.06 -0.99 3.17 0.02 -0.60 -1.90 113.55 113.97 3k2n h SER 154 Ca 0.15 -0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.29 3k2n h SER 154 Cb 0.25 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.67 3k2n h SER 154 CO -0.00 0.20 0.62 0.28 -1.14 0.00 0.00 176.83 176.78 3k2n h SER 155 N 0.06 0.70 -0.07 3.07 0.02 -0.61 0.23 113.55 116.95 3k2n h SER 155 Ca 0.01 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3k2n h SER 155 Cb 0.28 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3k2n h SER 155 CO 0.02 0.24 -0.18 0.28 -1.14 0.00 0.00 176.83 176.06 3k2n h SER 156 N 0.68 0.28 -0.19 3.07 0.02 -1.43 -2.35 113.55 113.63 3k2n h SER 156 Ca 0.56 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3k2n h SER 156 Cb 0.99 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3k2n h SER 156 CO -0.34 0.82 0.10 0.40 -1.14 0.00 0.00 176.83 176.66 3k2n h ILE 157 N -0.24 1.12 -0.83 3.27 2.04 -1.18 -0.95 117.51 120.73 3k2n h ILE 157 Ca -0.00 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 65.71 3k2n h ILE 157 Cb 0.78 0.99 -0.15 0.00 -0.74 0.00 0.00 36.82 37.70 3k2n h ILE 157 CO 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.23 3k2n h ALA 158 N 0.98 0.76 0.16 1.87 0.00 -0.58 0.24 119.26 122.69 3k2n h ALA 158 Ca 0.07 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3k2n h ALA 158 Cb 0.09 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3k2n h ALA 158 CO -0.01 -0.44 -0.48 0.82 0.00 0.00 0.00 179.25 179.14 3k2n h ILE 159 N 0.04 0.00 -0.32 0.00 1.08 -0.65 0.85 117.51 118.51 3k2n h ILE 159 Ca 0.44 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.96 3k2n h ILE 159 Cb 0.77 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 3k2n h ILE 159 CO -0.79 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 176.73 3k2n h ALA 160 N -0.70 0.34 -0.85 1.87 0.00 -0.13 -2.31 119.26 117.49 3k2n h ALA 160 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k2n h ALA 160 Cb 0.70 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3k2n h ALA 160 CO -0.23 -0.34 0.55 0.28 0.00 0.00 0.00 179.25 179.51 3k2n h VAL 161 N 0.18 1.17 -0.11 0.00 2.07 -0.37 -2.35 116.25 116.84 3k2n h VAL 161 Ca 0.15 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3k2n h VAL 161 Cb 0.16 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3k2n h VAL 161 CO -0.20 0.20 -0.17 0.77 0.02 0.00 0.00 177.57 178.19 3k2n h SER 162 N 1.10 0.17 0.14 0.57 4.64 -0.33 -1.65 113.55 118.21 3k2n h SER 162 Ca 0.33 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3k2n h SER 162 Cb -0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3k2n h SER 162 CO -0.09 0.37 -0.07 -1.13 -0.87 0.00 0.00 176.83 175.04 3k2n h ASN 163 N 0.17 -0.16 -0.33 4.97 -1.24 -0.93 -2.09 115.58 115.98 3k2n h ASN 163 Ca 0.03 -0.24 0.06 0.00 0.71 0.00 0.00 56.30 56.87 3k2n h ASN 163 Cb 0.42 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.45 3k2n h ASN 163 CO 0.03 0.16 -0.04 0.00 -1.29 0.00 0.00 177.43 176.29 3k2n h ALA 164 N 0.30 0.26 -0.67 1.57 0.00 -1.27 -1.52 119.26 117.93 3k2n h ALA 164 Ca -0.02 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3k2n h ALA 164 Cb 0.39 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3k2n h ALA 164 CO 0.03 -0.43 0.45 -0.07 0.00 0.00 0.00 179.25 179.23 3k2n h LEU 165 N 0.05 0.33 -0.03 0.00 4.07 -1.24 -0.41 115.31 118.06 3k2n h LEU 165 Ca 0.16 0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.91 3k2n h LEU 165 Cb 0.23 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3k2n h LEU 165 CO -0.30 0.18 -1.04 0.00 -1.08 0.00 0.00 178.44 176.20 3k2n h ALA 166 N 1.68 0.32 0.00 1.53 0.00 -0.63 -1.13 119.26 121.03 3k2n h ALA 166 Ca 0.32 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3k2n h ALA 166 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3k2n h ALA 166 CO -0.09 1.10 -0.20 1.88 0.00 0.00 0.00 179.25 181.94 3k2n h TYR 167 N 0.04 0.00 0.04 0.00 0.05 -0.35 -1.12 116.97 115.62 3k2n h TYR 167 Ca -0.05 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 3k2n h TYR 167 Cb 1.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.50 3k2n h TYR 167 CO 0.02 0.20 -0.02 0.93 -1.05 0.00 0.00 178.16 178.25 3k2n h GLU 168 N 0.00 -0.05 -0.60 4.88 4.39 -0.96 -2.39 114.58 119.85 3k2n h GLU 168 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 3k2n h GLU 168 Cb 0.71 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 3k2n h GLU 168 CO 0.03 0.57 0.40 1.49 -1.16 0.00 0.00 179.01 180.34 3k2n h GLU 169 N -0.94 0.31 -0.14 2.33 4.57 -1.20 -0.06 114.58 119.45 3k2n h GLU 169 Ca -0.01 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 3k2n h GLU 169 Cb 0.64 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3k2n h GLU 169 CO 0.01 0.20 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.69 3k2n h LEU 170 N 0.32 0.50 -0.66 1.64 3.38 -1.30 -2.68 115.31 116.51 3k2n h LEU 170 Ca 0.28 -0.55 0.09 0.00 0.09 0.00 0.00 57.88 57.79 3k2n h LEU 170 Cb 0.67 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3k2n h LEU 170 CO -0.07 0.96 0.29 -0.09 0.09 0.00 0.00 178.44 179.62 3k2n h ARG 171 N 0.06 0.49 -0.60 1.13 2.43 -0.54 -2.79 114.38 114.55 3k2n h ARG 171 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3k2n h ARG 171 Cb 0.87 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3k2n h ARG 171 CO 0.06 0.32 0.00 1.04 -1.51 0.00 0.00 179.97 179.88 3k2n n GLN 172 N -4.93 4.68 -0.04 0.20 3.00 -0.23 -3.03 117.38 117.03 3k2n n GLN 172 Ca 0.10 -3.04 0.03 0.00 -0.01 0.00 0.00 57.00 54.08 3k2n n GLN 172 Cb 0.28 -2.21 -0.15 0.00 0.00 0.00 0.00 30.24 28.16 3k2n n GLN 172 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3k2n n ARG 173 N 0.67 0.74 0.00 -1.09 3.00 -1.01 -5.03 116.66 113.94 3k2n n ARG 173 Ca 0.27 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3k2n n ARG 173 Cb 1.14 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 32.14 3k2n n ARG 173 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78