#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2n h ASN -1 N 0.00 0.40 0.50 4.04 -0.00 -2.05 -2.39 115.58 116.08 3k2n h ASN -1 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 56.30 56.22 3k2n h ASN -1 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.21 3k2n h ASN -1 CO 0.00 0.29 -0.36 0.00 -0.00 0.00 0.00 177.43 177.36 3k2n h ALA 0 N 1.77 1.24 0.05 1.57 0.00 -2.05 -0.60 119.26 121.25 3k2n h ALA 0 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k2n h ALA 0 Cb -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3k2n h ALA 0 CO -0.03 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 3k2n h ALA 1 N 1.64 -0.07 -0.25 0.00 0.00 -1.88 -2.11 119.26 116.59 3k2n h ALA 1 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3k2n h ALA 1 Cb 0.71 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3k2n h ALA 1 CO 0.05 -0.16 -0.11 1.25 0.00 0.00 0.00 179.25 180.27 3k2n h LEU 2 N -0.82 -0.38 -1.41 0.00 7.12 -1.36 -1.79 115.31 116.67 3k2n h LEU 2 Ca -0.01 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 3k2n h LEU 2 Cb 0.65 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 3k2n h LEU 2 CO 0.01 -0.14 0.25 0.11 -0.13 0.00 0.00 178.44 178.54 3k2n h LYS 3 N -0.08 0.65 -0.03 1.25 1.57 -1.19 -1.20 116.57 117.53 3k2n h LYS 3 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k2n h LYS 3 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3k2n h LYS 3 CO -0.30 0.48 0.00 -0.11 -0.57 0.00 0.00 179.45 178.95 3k2n n LEU 4 N -4.41 0.03 0.00 2.94 7.94 -0.67 0.47 117.00 123.30 3k2n n LEU 4 Ca 0.04 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3k2n n LEU 4 Cb 0.10 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3k2n n LEU 4 CO 0.37 0.01 0.00 0.00 -1.11 0.00 0.00 177.39 176.65 3k2n n GLN 6 N 0.16 0.00 -0.14 1.96 6.02 -0.46 -1.78 117.38 123.14 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 0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.27 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 0.60 -0.48 1.08 5.03 -0.23 -0.97 116.97 121.99 3k2n h TYR 7 Ca 0.00 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 3k2n h TYR 7 Cb 0.00 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3k2n h TYR 7 CO 0.00 0.47 0.17 0.82 -1.32 0.00 0.00 178.16 178.30 3k2n h ILE 8 N 0.55 1.22 -0.88 1.81 1.08 -1.58 0.24 117.51 119.94 3k2n h ILE 8 Ca 0.15 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3k2n h ILE 8 Cb 0.09 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3k2n h ILE 8 CO -0.02 0.26 0.56 1.23 -0.69 0.00 0.00 178.15 179.49 3k2n h GLY 9 N 0.64 1.26 0.74 5.37 0.00 -1.80 -0.63 103.07 108.65 3k2n h GLY 9 Ca 0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3k2n h GLY 9 CO -0.01 0.49 -0.03 -1.80 0.00 0.00 0.00 176.54 175.18 3k2n h ASP 10 N 1.21 0.25 -0.51 0.19 1.82 -0.88 -2.35 116.42 116.15 3k2n h ASP 10 Ca 0.32 -0.37 0.09 0.00 -0.39 0.00 0.00 57.03 56.68 3k2n h ASP 10 Cb -0.10 -0.07 -0.08 0.00 0.68 0.00 0.00 39.33 39.77 3k2n h ASP 10 CO -0.06 0.56 0.06 0.00 -1.61 0.00 0.00 179.24 178.19 3k2n h ALA 11 N 0.70 0.54 -0.62 -0.78 0.00 -0.21 -1.85 119.26 117.03 3k2n h ALA 11 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k2n h ALA 11 Cb 0.45 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3k2n h ALA 11 CO 0.01 -0.34 0.38 0.82 0.00 0.00 0.00 179.25 180.12 3k2n h ILE 12 N 0.19 1.17 -0.00 0.00 2.04 -1.06 -1.14 117.51 118.71 3k2n h ILE 12 Ca 0.26 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3k2n h ILE 12 Cb 0.37 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3k2n h ILE 12 CO -0.37 0.17 -0.08 0.61 0.00 0.00 0.00 178.15 178.48 3k2n n GLY 13 N -1.37 -1.29 0.01 5.37 0.00 -0.78 -4.23 105.19 102.90 3k2n n GLY 13 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.91 3k2n n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k2n n THR 14 N -1.32 0.09 -3.27 2.61 -2.24 -0.77 -4.99 114.28 104.39 3k2n n THR 14 Ca 0.11 -0.14 -0.44 0.00 -2.27 0.00 0.00 64.05 61.31 3k2n n THR 14 Cb 0.30 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 3k2n n THR 14 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k2n s ILE 15 N -2.28 5.04 0.14 2.28 1.01 -0.50 -4.93 121.20 121.96 3k2n s ILE 15 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 3k2n s ILE 15 Cb 0.03 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3k2n s ILE 15 CO 0.20 -0.66 1.55 -0.09 0.00 0.00 0.00 174.94 175.94 3k2n h ARG 16 N 8.86 0.83 -6.27 2.79 2.43 -1.92 -3.42 114.38 117.68 3k2n h ARG 16 Ca -0.28 -0.32 -0.57 0.00 -0.81 0.00 0.00 59.98 58.00 3k2n h ARG 16 Cb 1.10 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 3k2n h ARG 16 CO 0.90 0.94 0.86 0.34 -1.51 0.00 0.00 179.97 181.51 3k2n s ASP 17 N -6.44 6.93 0.22 -3.80 -1.08 -1.26 -4.94 116.67 106.30 3k2n s ASP 17 Ca -0.12 1.16 -0.08 0.00 -0.52 0.00 0.00 52.55 52.99 3k2n s ASP 17 Cb 0.11 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.22 3k2n s ASP 17 CO 0.83 -0.87 1.85 1.55 0.52 0.00 0.00 175.17 179.06 3k2n h PRO 18 N 8.14 1.19 -0.39 4.34 0.13 -1.99 0.22 132.00 143.65 3k2n h PRO 18 Ca -0.21 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 3k2n h PRO 18 Cb 1.07 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3k2n h PRO 18 CO 1.02 0.86 -0.07 0.37 -0.23 0.00 0.00 178.00 179.95 3k2n h GLN 19 N 1.20 0.73 0.00 0.86 5.75 -1.98 -1.53 115.11 120.14 3k2n h GLN 19 Ca 0.30 -0.27 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 3k2n h GLN 19 Cb 0.01 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3k2n h GLN 19 CO -0.05 0.86 -0.53 1.05 -2.65 0.00 0.00 178.83 177.52 3k2n h GLU 20 N 0.54 0.00 -0.37 1.69 4.11 -1.94 -1.33 114.58 117.28 3k2n h GLU 20 Ca 0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.60 3k2n h GLU 20 Cb 0.58 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 3k2n h GLU 20 CO 0.03 0.53 -0.04 1.25 0.07 0.00 0.00 179.01 180.85 3k2n h LEU 21 N 0.00 -0.23 -0.18 3.06 5.85 -0.30 -0.90 115.31 122.60 3k2n h LEU 21 Ca -0.01 0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 3k2n h LEU 21 Cb 1.19 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3k2n h LEU 21 CO 0.07 -0.08 -0.95 -0.26 -0.34 0.00 0.00 178.44 176.88 3k2n h PHE 22 N 0.05 0.23 -0.55 1.25 -1.00 -1.10 -0.42 116.94 115.40 3k2n h PHE 22 Ca 0.18 -0.14 0.03 0.00 2.81 0.00 0.00 57.97 60.85 3k2n h PHE 22 Cb 0.26 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 3k2n h PHE 22 CO -0.29 1.01 0.33 0.00 -1.61 0.00 0.00 178.31 177.75 3k2n h ARG 23 N 0.07 0.64 -0.25 1.51 3.08 -1.22 -0.16 114.38 118.04 3k2n h ARG 23 Ca -0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3k2n h ARG 23 Cb 1.62 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 3k2n h ARG 23 CO 0.14 0.42 0.00 1.15 -1.07 0.00 0.00 179.97 180.61 3k2n h THR 24 N 0.65 1.25 -0.31 2.04 2.02 -1.04 -2.10 112.91 115.43 3k2n h THR 24 Ca 0.23 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 3k2n h THR 24 Cb 0.03 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3k2n h THR 24 CO -0.10 0.28 -0.39 0.58 0.37 0.00 0.00 175.52 176.26 3k2n h VAL 25 N 0.23 1.29 -0.17 3.16 2.07 -1.01 -2.48 116.25 119.34 3k2n h VAL 25 Ca 0.07 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 3k2n h VAL 25 Cb 0.41 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3k2n h VAL 25 CO 0.01 0.51 0.03 0.74 0.02 0.00 0.00 177.57 178.88 3k2n h THR 26 N 0.61 1.21 -0.15 2.57 2.02 -1.00 -1.96 112.91 116.20 3k2n h THR 26 Ca 0.05 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 3k2n h THR 26 Cb 0.93 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3k2n h THR 26 CO 0.08 0.20 -0.07 0.44 0.37 0.00 0.00 175.52 176.55 3k2n h ASP 27 N 0.07 0.20 0.83 4.18 3.32 -1.35 -0.06 116.42 123.61 3k2n h ASP 27 Ca 0.05 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3k2n h ASP 27 Cb 0.28 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3k2n h ASP 27 CO 0.00 0.31 -0.29 0.50 -1.72 0.00 0.00 179.24 178.05 3k2n h LYS 28 N 0.22 0.00 0.00 3.56 1.63 -1.04 -2.66 116.57 118.27 3k2n h LYS 28 Ca 0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3k2n h LYS 28 Cb 0.27 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3k2n h LYS 28 CO 0.01 0.29 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.16 3k2n h LEU 29 N 0.00 0.00 -0.81 5.20 3.38 -0.24 -2.91 115.31 119.93 3k2n h LEU 29 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k2n h LEU 29 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k2n h LEU 29 CO 0.04 0.07 -0.03 0.03 0.09 0.00 0.00 178.44 178.64 3k2n h ARG 30 N 0.00 0.00 0.00 1.13 3.08 -1.37 -0.79 114.38 116.42 3k2n h ARG 30 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3k2n h ARG 30 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3k2n h ARG 30 CO 0.01 0.03 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.57 3k2n h LEU 31 N 0.00 0.00 0.00 3.04 3.38 -1.65 -3.25 115.31 116.83 3k2n h LEU 31 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k2n h LEU 31 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3k2n h LEU 31 CO 0.00 0.29 -0.88 0.18 0.09 0.00 0.00 178.44 178.12 3k2n n LEU 32 N -4.12 0.28 -3.95 1.67 4.77 -1.14 -4.97 117.00 109.54 3k2n n LEU 32 Ca -0.02 -0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 55.43 3k2n n LEU 32 Cb 0.34 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 3k2n n LEU 32 CO 0.37 0.07 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.70 3k2n s PHE 33 N -2.27 1.26 -0.45 -1.77 0.08 -0.32 -5.10 117.98 109.41 3k2n s PHE 33 Ca 0.01 -0.49 -0.17 0.00 0.12 0.00 0.00 56.93 56.40 3k2n s PHE 33 Cb 0.07 -1.00 0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3k2n s PHE 33 CO 0.42 -0.32 0.46 0.00 -0.10 0.00 0.00 175.22 175.68 3k2n s ALA 34 N 1.04 3.46 0.21 5.36 0.00 -1.26 -4.19 121.76 126.37 3k2n s ALA 34 Ca -0.08 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 3k2n s ALA 34 Cb -0.14 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3k2n s ALA 34 CO -0.00 -1.72 0.36 -0.59 0.00 0.00 0.00 175.76 173.80 3k2n s PHE 35 N 2.09 0.48 -0.06 0.00 -0.12 -1.26 -4.94 117.98 114.17 3k2n s PHE 35 Ca 0.10 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.15 3k2n s PHE 35 Cb -0.20 -0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3k2n s PHE 35 CO 0.11 -0.84 -0.02 0.22 -0.05 0.00 0.00 175.22 174.64 3k2n h ASP 36 N 2.41 0.00 -4.91 1.98 3.58 0.37 -3.48 116.42 116.37 3k2n h ASP 36 Ca -0.30 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.96 3k2n h ASP 36 Cb 1.24 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.11 3k2n h ASP 36 CO 0.43 0.32 -0.70 -0.44 -2.88 0.00 0.00 179.24 175.97 3k2n s SER 37 N -4.57 0.64 0.12 2.28 0.01 -1.06 -4.54 113.70 106.58 3k2n s SER 37 Ca -0.02 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.56 3k2n s SER 37 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 3k2n s SER 37 CO 0.03 -0.37 -0.11 0.00 0.41 0.00 0.00 173.24 173.20 3k2n s ALA 38 N -2.43 1.27 -0.00 1.44 0.00 -1.26 -1.21 121.76 119.57 3k2n s ALA 38 Ca -0.04 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 3k2n s ALA 38 Cb -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 3k2n s ALA 38 CO -0.03 -0.04 0.09 0.54 0.00 0.00 0.00 175.76 176.32 3k2n s VAL 39 N -2.69 0.08 -0.17 0.00 0.11 -0.71 -4.35 120.40 112.68 3k2n s VAL 39 Ca 0.09 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 3k2n s VAL 39 Cb -0.01 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 3k2n s VAL 39 CO 0.00 -0.35 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.68 3k2n s ILE 40 N -1.17 2.91 -0.07 7.04 1.01 0.13 -1.81 121.20 129.24 3k2n s ILE 40 Ca -0.13 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.89 3k2n s ILE 40 Cb -0.07 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3k2n s ILE 40 CO 0.01 0.49 -0.19 -0.63 0.00 0.00 0.00 174.94 174.62 3k2n s ILE 41 N 0.92 2.60 -0.12 2.92 1.01 -0.21 -0.08 121.20 128.25 3k2n s ILE 41 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3k2n s ILE 41 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3k2n s ILE 41 CO -0.01 0.57 0.16 0.42 0.00 0.00 0.00 174.94 176.08 3k2n s THR 42 N -0.29 5.47 0.04 2.92 -4.23 0.16 -1.13 115.64 118.57 3k2n s THR 42 Ca 0.01 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3k2n s THR 42 Cb -0.13 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 3k2n s THR 42 CO 0.03 0.61 0.05 -0.63 -0.54 0.00 0.00 174.62 174.13 3k2n s ILE 43 N -0.96 4.44 -0.42 2.99 1.09 0.10 -0.51 121.20 127.94 3k2n s ILE 43 Ca 0.15 -0.65 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 3k2n s ILE 43 Cb -0.12 -3.07 0.13 0.00 -1.06 0.00 0.00 42.46 38.34 3k2n s ILE 43 CO 0.04 0.25 0.22 -0.62 -0.10 0.00 0.00 174.94 174.73 3k2n s ASP 44 N -1.99 3.60 0.28 3.58 -1.08 -0.67 -4.80 116.67 115.59 3k2n s ASP 44 Ca 0.25 -2.48 -0.02 0.00 -0.52 0.00 0.00 52.55 49.78 3k2n s ASP 44 Cb -0.12 -0.94 0.40 0.00 -1.46 0.00 0.00 42.92 40.80 3k2n s ASP 44 CO 0.16 -0.29 1.84 -0.09 0.52 0.00 0.00 175.17 177.32 3k2n h ARG 45 N 6.88 0.89 0.59 4.34 2.43 -1.93 0.10 114.38 127.68 3k2n h ARG 45 Ca -0.01 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3k2n h ARG 45 Cb 0.94 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3k2n h ARG 45 CO 0.45 0.75 -0.28 0.93 -1.51 0.00 0.00 179.97 180.31 3k2n h GLU 46 N 0.86 -0.77 0.00 0.20 4.39 -1.96 -3.06 114.58 114.25 3k2n h GLU 46 Ca 0.20 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3k2n h GLU 46 Cb 0.23 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3k2n h GLU 46 CO -0.01 -0.46 0.00 0.54 -1.16 0.00 0.00 179.01 177.91 3k2n n ARG 47 N -5.33 0.07 -3.39 2.33 1.74 -1.17 -4.90 116.66 106.01 3k2n n ARG 47 Ca -0.11 0.40 -0.18 0.00 -0.77 0.00 0.00 57.85 57.19 3k2n n ARG 47 Cb 0.34 -1.66 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.79 -6.56 -4.31 5.56 1.74 -0.01 -4.93 116.66 106.35 3k2n n ARG 48 Ca 0.02 0.78 -0.16 0.00 -0.77 0.00 0.00 57.85 57.71 3k2n n ARG 48 Cb 0.13 -5.63 -0.10 0.00 -1.02 0.00 0.00 32.46 25.84 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 -5.58 1.28 0.03 5.56 2.02 -1.00 -0.49 118.70 120.52 3k2n s GLU 49 Ca 0.18 -1.63 0.01 0.00 0.02 0.00 0.00 54.97 53.54 3k2n s GLU 49 Cb -0.08 -0.59 -0.02 0.00 0.10 0.00 0.00 34.13 33.54 3k2n s GLU 49 CO 0.68 -0.07 -0.05 0.00 0.02 0.00 0.00 175.26 175.84 3k2n s ALA 50 N -3.42 0.28 0.03 5.21 0.00 -0.21 -1.67 121.76 121.98 3k2n s ALA 50 Ca 0.26 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.65 3k2n s ALA 50 Cb 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 3k2n s ALA 50 CO 0.07 -0.11 -0.19 -1.12 0.00 0.00 0.00 175.76 174.41 3k2n s SER 51 N -1.46 2.31 -0.14 0.00 0.01 0.33 -1.75 113.70 113.00 3k2n s SER 51 Ca -0.13 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.35 3k2n s SER 51 Cb -0.10 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 3k2n s SER 51 CO -0.00 0.15 1.16 -0.69 0.41 0.00 0.00 173.24 174.27 3k2n s VAL 52 N -0.75 4.44 -0.23 3.43 1.01 -0.12 -0.67 120.40 127.51 3k2n s VAL 52 Ca 0.07 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 3k2n s VAL 52 Cb -0.08 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3k2n s VAL 52 CO 0.01 -0.08 -0.35 0.33 0.00 0.00 0.00 175.10 175.01 3k2n n PHE 53 N 5.88 0.00 -4.33 5.22 -0.00 0.88 -4.92 117.46 120.19 3k2n n PHE 53 Ca 0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.38 3k2n n PHE 53 Cb 0.46 -0.76 -0.13 0.00 -0.00 0.00 0.00 39.48 39.05 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 -2.69 1.10 0.17 -5.13 5.36 -0.89 -4.95 117.98 110.94 3k2n s PHE 54 Ca -0.34 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 3k2n s PHE 54 Cb 0.10 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 3k2n s PHE 54 CO 0.46 0.01 0.09 -0.85 -1.46 0.00 0.00 175.22 173.47 3k2n n GLU 55 N 2.03 0.56 0.00 10.12 0.28 -1.26 0.19 120.64 132.56 3k2n n GLU 55 Ca -0.18 -1.53 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 3k2n n GLU 55 Cb 0.55 0.98 0.00 0.00 1.43 0.00 0.00 31.44 34.40 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 -1.16 -1.84 4.77 -1.26 -4.99 117.00 112.52 3k2n n LEU 57 Ca -0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3k2n n LEU 57 Cb 0.27 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.60 3k2n n LEU 57 CO 0.14 0.00 0.76 0.54 -1.33 0.00 0.00 177.39 177.51 3k2n n ARG 58 N -0.50 2.59 -3.58 3.23 1.74 -1.26 -4.99 116.66 113.89 3k2n n ARG 58 Ca 0.00 -3.00 -0.11 0.00 -0.77 0.00 0.00 57.85 53.97 3k2n n ARG 58 Cb 0.00 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 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 -3.02 -0.32 0.21 -1.55 -0.71 -1.26 -5.11 117.98 106.23 3k2n s PHE 59 Ca 0.45 0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 56.33 3k2n s PHE 59 Cb 0.38 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.55 3k2n s PHE 59 CO 0.06 -0.81 0.45 -2.00 -1.34 0.00 0.00 175.22 171.58 3k2n s GLU 60 N -3.80 3.62 0.08 1.99 2.12 -1.26 -5.11 118.70 116.35 3k2n s GLU 60 Ca 0.04 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3k2n s GLU 60 Cb 0.00 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3k2n s GLU 60 CO -0.10 0.36 0.14 -0.51 -0.54 0.00 0.00 175.26 174.61 3k2n s LEU 61 N -3.08 4.01 0.34 2.70 1.43 -1.26 -5.09 118.68 117.72 3k2n s LEU 61 Ca 0.42 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.34 3k2n s LEU 61 Cb -0.11 -2.66 -0.13 0.00 0.03 0.00 0.00 46.19 43.32 3k2n s LEU 61 CO 0.27 0.16 0.93 -2.65 0.23 0.00 0.00 176.35 175.28 3k2n n PRO 62 N 0.28 1.20 -0.33 1.29 -0.02 -1.26 -4.84 135.00 131.32 3k2n n PRO 62 Ca -0.07 0.43 0.26 0.00 -2.02 0.00 0.00 63.50 62.09 3k2n n PRO 62 Cb 0.52 -1.82 0.50 0.00 -0.02 0.00 0.00 33.50 32.67 3k2n n PRO 62 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k2n h GLU 63 N 1.68 0.16 -0.00 -0.52 4.22 -2.01 0.43 114.58 118.54 3k2n h GLU 63 Ca -0.40 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.03 3k2n h GLU 63 Cb 1.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3k2n h GLU 63 CO 0.58 0.10 -0.11 0.00 -2.18 0.00 0.00 179.01 177.41 3k2n n GLN 64 N -5.18 0.71 -0.38 1.92 0.00 -1.26 -2.91 117.38 110.28 3k2n n GLN 64 Ca 0.33 -0.25 0.09 0.00 0.00 0.00 0.00 57.00 57.17 3k2n n GLN 64 Cb 1.07 -1.49 0.24 0.00 0.00 0.00 0.00 30.24 30.06 3k2n n GLN 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3k2n n LEU 65 N -0.92 3.62 0.02 2.61 4.32 0.13 -4.66 117.00 122.12 3k2n n LEU 65 Ca 0.15 -3.03 0.11 0.00 -0.02 0.00 0.00 56.01 53.21 3k2n n LEU 65 Cb 0.28 -0.53 -0.03 0.00 -1.62 0.00 0.00 43.42 41.53 3k2n n LEU 65 CO 0.24 0.68 -0.11 0.54 -1.22 0.00 0.00 177.39 177.51 3k2n n ARG 66 N -0.67 0.29 -1.69 3.23 1.74 -1.15 -4.85 116.66 113.56 3k2n n ARG 66 Ca 0.20 -0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 3k2n n ARG 66 Cb 0.85 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 3k2n n ARG 66 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k2n n HIS 67 N -1.93 2.35 -0.07 -1.55 8.25 -1.26 -4.93 115.22 116.08 3k2n n HIS 67 Ca 0.01 0.38 -0.07 0.00 -0.26 0.00 0.00 57.72 57.79 3k2n n HIS 67 Cb 0.44 -2.50 -0.01 0.00 1.12 0.00 0.00 29.99 29.04 3k2n n HIS 67 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3k2n h GLN 68 N 4.40 -0.10 -5.49 -0.41 5.75 -1.95 -3.43 115.11 113.89 3k2n h GLN 68 Ca -0.45 0.01 -0.62 0.00 -0.15 0.00 0.00 58.65 57.43 3k2n h GLN 68 Cb 1.26 0.02 -0.32 0.00 1.07 0.00 0.00 27.48 29.52 3k2n h GLN 68 CO 0.77 -0.07 -0.86 0.99 -2.65 0.00 0.00 178.83 177.02 3k2n s THR 69 N -6.17 1.70 0.05 2.39 2.01 -1.26 -0.94 115.64 113.42 3k2n s THR 69 Ca -0.14 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 3k2n s THR 69 Cb 0.13 -1.46 0.04 0.00 0.01 0.00 0.00 72.50 71.21 3k2n s THR 69 CO 0.69 0.48 0.42 0.00 -0.69 0.00 0.00 174.62 175.52 3k2n s ARG 70 N 0.06 0.94 0.34 4.92 1.70 -0.72 -5.00 118.95 121.19 3k2n s ARG 70 Ca -0.07 -0.39 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 3k2n s ARG 70 Cb -0.13 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.57 3k2n s ARG 70 CO 0.04 -0.33 1.24 0.45 -1.08 0.00 0.00 175.30 175.61 3k2n s SER 71 N -2.08 6.79 0.00 -2.89 0.15 -1.26 -1.05 113.70 113.37 3k2n s SER 71 Ca -0.04 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.14 3k2n s SER 71 Cb -0.01 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3k2n s SER 71 CO -0.03 -0.50 0.93 2.30 1.20 0.00 0.00 173.24 177.14 3k2n n ILE 72 N 0.69 0.87 -1.67 6.45 -5.35 0.35 -4.85 119.36 115.86 3k2n n ILE 72 Ca 0.01 -0.89 -0.48 0.00 -0.27 0.00 0.00 62.75 61.12 3k2n n ILE 72 Cb 0.43 0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.44 0.98 -1.10 -1.28 0.00 -1.14 -1.30 120.51 116.24 3k2n n ALA 73 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 3k2n n ALA 73 Cb 0.26 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 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 3.78 0.59 3.95 0.00 0.00 -1.26 -5.02 105.19 107.24 3k2n n GLY 74 Ca 0.20 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.85 4.69 0.56 2.61 -4.23 -0.42 -4.99 115.64 112.01 3k2n s THR 75 Ca 0.00 -0.61 0.23 0.00 -1.18 0.00 0.00 61.69 60.14 3k2n s THR 75 Cb 0.00 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 70.46 3k2n s THR 75 CO 0.00 -0.42 2.21 4.11 -0.54 0.00 0.00 174.62 179.98 3k2n h TRP 76 N 0.72 0.00 -0.33 3.99 5.08 -1.91 -1.89 115.95 121.62 3k2n h TRP 76 Ca -0.49 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.36 3k2n h TRP 76 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 3k2n h TRP 76 CO 0.47 0.00 -0.30 1.25 -1.28 0.00 0.00 178.44 178.59 3k2n h LEU 77 N 0.00 0.71 -2.39 0.11 5.85 -1.94 -3.03 115.31 114.62 3k2n h LEU 77 Ca -0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3k2n h LEU 77 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3k2n h LEU 77 CO 0.00 0.97 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.97 3k2n h GLU 78 N 0.59 0.00 0.00 1.25 4.81 -1.52 -0.84 114.58 118.87 3k2n h GLU 78 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3k2n h GLU 78 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3k2n h GLU 78 CO 0.07 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.77 3k2n n GLY 79 N -1.24 -1.12 0.97 1.92 0.00 -1.14 -3.38 105.19 101.19 3k2n n GLY 79 Ca -0.03 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.27 0.65 0.37 1.61 8.25 -0.32 -4.62 115.22 119.88 3k2n n HIS 80 Ca 0.13 -0.45 0.11 0.00 -0.26 0.00 0.00 57.72 57.25 3k2n n HIS 80 Cb 0.20 -0.01 0.46 0.00 1.12 0.00 0.00 29.99 31.76 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 1.07 0.53 -0.98 2.41 4.32 -1.22 -1.77 117.00 121.37 3k2n n LEU 81 Ca 0.17 0.65 0.10 0.00 -0.02 0.00 0.00 56.01 56.91 3k2n n LEU 81 Cb 0.52 -0.59 0.18 0.00 -1.62 0.00 0.00 43.42 41.90 3k2n n LEU 81 CO 0.12 -0.56 0.65 0.47 -1.22 0.00 0.00 177.39 176.85 3k2n n ASP 82 N -2.10 3.17 -4.73 -1.43 10.43 -1.26 -4.46 116.55 116.16 3k2n n ASP 82 Ca 0.02 -1.92 -0.42 0.00 2.57 0.00 0.00 54.79 55.04 3k2n n ASP 82 Cb 0.19 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.92 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 -1.35 6.49 -0.14 -2.24 1.11 -0.73 -4.92 116.67 114.90 3k2n s ASP 83 Ca 0.33 2.76 0.05 0.00 0.18 0.00 0.00 52.55 55.86 3k2n s ASP 83 Cb 0.19 -2.60 -0.23 0.00 1.07 0.00 0.00 42.92 41.35 3k2n s ASP 83 CO 0.27 -0.88 0.28 -1.14 1.18 0.00 0.00 175.17 174.88 3k2n n ARG 84 N 3.55 0.69 -3.94 8.23 0.63 -1.26 -4.78 116.66 119.78 3k2n n ARG 84 Ca 0.13 0.20 -0.21 0.00 -0.92 0.00 0.00 57.85 57.05 3k2n n ARG 84 Cb 0.37 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.59 3k2n n ARG 84 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3k2n s THR 85 N -2.55 4.16 0.15 5.15 -4.23 -1.26 -4.79 115.64 112.28 3k2n s THR 85 Ca -0.18 -1.32 -0.31 0.00 -1.18 0.00 0.00 61.69 58.71 3k2n s THR 85 Cb 0.07 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.46 3k2n s THR 85 CO 0.76 -0.27 1.41 -0.69 -0.54 0.00 0.00 174.62 175.30 3k2n s VAL 86 N -2.18 3.09 -0.20 2.29 1.01 -1.26 -4.54 120.40 118.61 3k2n s VAL 86 Ca 0.37 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 3k2n s VAL 86 Cb -0.07 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3k2n s VAL 86 CO 0.26 0.08 0.09 -0.89 0.00 0.00 0.00 175.10 174.65 3k2n s THR 87 N 0.81 4.98 -0.14 3.92 2.01 0.82 -4.94 115.64 123.10 3k2n s THR 87 Ca 0.64 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.68 3k2n s THR 87 Cb -0.39 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 3k2n s THR 87 CO 0.33 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.84 3k2n s VAL 88 N 0.54 2.62 -0.10 3.82 1.01 -1.26 0.53 120.40 127.56 3k2n s VAL 88 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3k2n s VAL 88 Cb -0.12 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3k2n s VAL 88 CO 0.01 0.53 0.27 0.00 0.00 0.00 0.00 175.10 175.91 3k2n s ALA 89 N 0.59 -0.67 0.09 5.51 0.00 -0.47 -5.01 121.76 121.81 3k2n s ALA 89 Ca -0.10 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3k2n s ALA 89 Cb -0.16 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 3k2n s ALA 89 CO 0.03 -0.14 1.25 0.45 0.00 0.00 0.00 175.76 177.36 3k2n s SER 90 N 0.26 7.01 0.10 0.00 0.15 -1.26 -0.88 113.70 119.09 3k2n s SER 90 Ca -0.01 2.13 -0.19 0.00 0.70 0.00 0.00 55.95 58.58 3k2n s SER 90 Cb -0.03 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 3k2n s SER 90 CO -0.01 -0.51 1.66 0.40 1.20 0.00 0.00 173.24 175.99 3k2n h ILE 91 N 4.33 1.15 0.00 6.45 2.04 -1.43 -1.23 117.51 128.82 3k2n h ILE 91 Ca -0.42 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3k2n h ILE 91 Cb 1.21 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3k2n h ILE 91 CO 0.82 0.16 -0.27 0.00 0.00 0.00 0.00 178.15 178.85 3k2n n ALA 92 N -2.24 2.71 -0.02 1.87 0.00 -1.26 -4.17 120.51 117.40 3k2n n ALA 92 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 3k2n n ALA 92 Cb 0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3k2n n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k2n n ARG 93 N -1.89 2.66 0.00 0.00 1.74 -1.22 -4.80 116.66 113.14 3k2n n ARG 93 Ca 0.05 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 3k2n n ARG 93 Cb 0.39 -1.11 0.08 0.00 -1.02 0.00 0.00 32.46 30.80 3k2n n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k2n n ASP 94 N -2.26 2.54 -3.99 0.55 10.43 -0.47 -4.88 116.55 118.48 3k2n n ASP 94 Ca -0.07 -1.78 -0.31 0.00 2.57 0.00 0.00 54.79 55.20 3k2n n ASP 94 Cb 0.63 0.19 -0.15 0.00 1.84 0.00 0.00 41.12 43.63 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 -2.20 1.85 0.55 0.53 1.01 -1.26 -4.98 121.20 116.71 3k2n s ILE 95 Ca 0.24 -1.54 0.34 0.00 0.00 0.00 0.00 60.65 59.69 3k2n s ILE 95 Cb 0.19 -2.10 0.37 0.00 0.01 0.00 0.00 42.46 40.94 3k2n s ILE 95 CO 0.41 -0.17 2.24 -0.65 0.00 0.00 0.00 174.94 176.78 3k2n h PRO 96 N 7.84 0.00 0.00 2.79 0.11 -1.93 -0.26 132.00 140.55 3k2n h PRO 96 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3k2n h PRO 96 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3k2n h PRO 96 CO 0.45 0.03 0.00 0.77 -0.21 0.00 0.00 178.00 179.03 3k2n h SER 97 N 0.00 0.00 -3.40 -2.05 0.02 -1.97 -3.47 113.55 102.68 3k2n h SER 97 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3k2n h SER 97 Cb 0.10 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.73 3k2n h SER 97 CO 0.00 0.00 0.88 0.12 -1.14 0.00 0.00 176.83 176.69 3k2n s PHE 98 N -3.21 2.72 0.00 3.45 5.36 -0.11 -2.93 117.98 123.26 3k2n s PHE 98 Ca 0.08 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3k2n s PHE 98 Cb 0.10 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3k2n s PHE 98 CO 0.54 -3.56 0.00 0.41 -1.46 0.00 0.00 175.22 171.15 3k2n n GLY 99 N 1.97 2.53 3.64 13.12 0.00 -1.26 -5.01 105.19 120.18 3k2n n GLY 99 Ca 0.07 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.16 0.48 4.61 0.00 -1.15 -4.83 120.51 119.79 3k2n n ALA 100 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3k2n n ALA 100 Cb 0.00 -2.16 0.20 0.00 0.00 0.00 0.00 19.45 17.49 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 -1.58 0.00 0.07 0.00 5.75 -1.26 -1.82 116.55 117.71 3k2n n ASP 101 Ca 0.14 -0.27 0.12 0.00 -0.01 0.00 0.00 54.79 54.77 3k2n n ASP 101 Cb 0.49 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.84 3k2n n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k2n n GLY 102 N -0.49 -1.51 2.48 6.12 0.00 -1.26 -4.39 105.19 106.15 3k2n n GLY 102 Ca 0.05 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.79 3.11 0.10 4.61 0.00 -0.75 -4.88 120.51 120.90 3k2n n ALA 103 Ca 0.04 -3.82 -0.04 0.00 0.00 0.00 0.00 53.44 49.63 3k2n n ALA 103 Cb 0.43 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 4.97 0.00 -0.16 0.00 0.11 -1.77 -2.88 132.00 132.27 3k2n h PRO 104 Ca 0.18 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 3k2n h PRO 104 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3k2n h PRO 104 CO 0.56 0.81 -0.21 1.25 -0.21 0.00 0.00 178.00 180.20 3k2n h LEU 105 N 0.00 0.46 -0.46 2.35 5.85 -1.96 -1.94 115.31 119.61 3k2n h LEU 105 Ca -0.01 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.29 3k2n h LEU 105 Cb 1.51 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 3k2n h LEU 105 CO 0.11 0.88 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.90 3k2n h LEU 106 N 0.05 -0.43 0.18 2.25 3.38 -1.97 -1.98 115.31 116.79 3k2n h LEU 106 Ca 0.02 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3k2n h LEU 106 Cb 0.77 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3k2n h LEU 106 CO 0.05 -0.15 -0.09 -0.25 0.09 0.00 0.00 178.44 178.09 3k2n h TRP 107 N 0.00 -0.23 -0.38 1.13 2.91 -1.39 -1.79 115.95 116.19 3k2n h TRP 107 Ca 0.22 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.31 3k2n h TRP 107 Cb 0.33 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.99 3k2n h TRP 107 CO -0.40 -0.15 -0.10 1.15 -1.03 0.00 0.00 178.44 177.92 3k2n h THR 108 N -0.25 0.60 -0.61 2.65 2.02 -1.28 0.19 112.91 116.24 3k2n h THR 108 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3k2n h THR 108 Cb 0.19 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.13 3k2n h THR 108 CO 0.03 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.07 3k2n h LEU 109 N -0.01 0.20 -0.07 2.58 3.38 -1.04 1.60 115.31 121.95 3k2n h LEU 109 Ca 0.18 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k2n h LEU 109 Cb 0.29 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3k2n h LEU 109 CO -0.40 0.12 0.03 -0.74 0.09 0.00 0.00 178.44 177.54 3k2n h HIS 110 N 0.39 0.10 -0.65 1.13 2.76 -0.88 -1.41 115.15 116.60 3k2n h HIS 110 Ca 0.31 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.60 3k2n h HIS 110 Cb 0.39 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.23 3k2n h HIS 110 CO -0.18 0.20 0.18 1.49 -1.30 0.00 0.00 177.93 178.32 3k2n h GLU 111 N -0.03 0.30 0.00 5.26 4.57 0.78 0.78 114.58 126.25 3k2n h GLU 111 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3k2n h GLU 111 Cb 0.14 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3k2n h GLU 111 CO -0.00 0.20 0.00 1.28 -1.18 0.00 0.00 179.01 179.31 3k2n n LEU 112 N -5.09 0.00 -0.58 1.64 4.32 0.53 -5.07 117.00 112.75 3k2n n LEU 112 Ca 0.11 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 3k2n n LEU 112 Cb 0.35 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 3k2n n LEU 112 CO 0.17 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 3k2n n GLY 113 N -0.42 -0.82 0.00 -0.72 0.00 0.27 -5.03 105.19 98.47 3k2n n GLY 113 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.06 0.00 -4.69 1.61 5.12 -0.08 -4.18 116.66 114.39 3k2n n ARG 115 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 3k2n n ARG 115 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.00 1.21 0.00 5.56 0.74 -0.93 -1.00 119.66 125.25 3k2n s GLN 116 Ca 0.00 -0.53 0.03 0.00 0.05 0.00 0.00 55.36 54.91 3k2n s GLN 116 Cb 0.00 -1.17 -0.01 0.00 1.10 0.00 0.00 33.01 32.93 3k2n s GLN 116 CO 0.00 0.31 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.46 3k2n s ILE 117 N -0.32 0.70 -0.05 -2.34 2.07 -0.05 -1.72 121.20 119.49 3k2n s ILE 117 Ca 0.05 -0.52 0.05 0.00 -1.41 0.00 0.00 60.65 58.83 3k2n s ILE 117 Cb -0.06 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 3k2n s ILE 117 CO -0.00 0.10 -0.19 0.68 -1.91 0.00 0.00 174.94 173.61 3k2n s VAL 118 N -0.41 1.61 -0.18 4.00 -7.23 -0.54 -1.36 120.40 116.29 3k2n s VAL 118 Ca 0.02 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 3k2n s VAL 118 Cb -0.05 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3k2n s VAL 118 CO -0.00 0.46 0.06 -0.76 -0.31 0.00 0.00 175.10 174.55 3k2n s LEU 119 N -0.03 3.83 -0.26 1.32 1.43 0.19 -2.11 118.68 123.04 3k2n s LEU 119 Ca -0.04 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3k2n s LEU 119 Cb -0.12 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.21 3k2n s LEU 119 CO 0.03 0.18 -0.01 -0.55 0.23 0.00 0.00 176.35 176.23 3k2n s SER 120 N 0.31 4.01 0.34 2.29 0.15 0.79 -0.12 113.70 121.46 3k2n s SER 120 Ca 0.03 -1.42 -0.29 0.00 0.70 0.00 0.00 55.95 54.98 3k2n s SER 120 Cb -0.12 -1.18 -0.11 0.00 -1.71 0.00 0.00 66.02 62.90 3k2n s SER 120 CO 0.00 -0.29 1.53 -2.16 1.20 0.00 0.00 173.24 173.51 3k2n s PRO 121 N 1.36 4.12 -0.27 5.44 0.04 -1.26 -0.70 135.00 143.73 3k2n s PRO 121 Ca -0.00 2.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 3k2n s PRO 121 Cb -0.19 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3k2n s PRO 121 CO -0.10 -0.57 0.10 -0.51 0.04 0.00 0.00 177.00 175.97 3k2n s LEU 122 N -1.41 3.70 -0.04 -3.56 1.02 0.72 -4.83 118.68 114.28 3k2n s LEU 122 Ca 0.57 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.44 3k2n s LEU 122 Cb -0.47 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 43.80 3k2n s LEU 122 CO 0.56 -0.09 -0.07 -0.13 0.02 0.00 0.00 176.35 176.65 3k2n s ARG 123 N 1.62 0.97 -0.11 1.70 0.52 -1.26 -0.36 118.95 122.04 3k2n s ARG 123 Ca 0.06 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3k2n s ARG 123 Cb -0.16 -0.91 0.03 0.00 0.52 0.00 0.00 34.95 34.44 3k2n s ARG 123 CO 0.05 -0.00 -0.01 0.45 0.02 0.00 0.00 175.30 175.81 3k2n s SER 124 N 0.63 2.03 -1.34 0.23 0.15 -0.79 -4.75 113.70 109.85 3k2n s SER 124 Ca -0.09 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 3k2n s SER 124 Cb -0.13 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3k2n s SER 124 CO 0.01 -0.21 0.50 0.61 1.20 0.00 0.00 173.24 175.36 3k2n n GLY 125 N 5.08 -0.39 2.84 9.45 0.00 -1.26 -2.51 105.19 118.40 3k2n n GLY 125 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.92 3.04 3.87 -0.02 0.00 -1.26 -5.00 105.19 103.89 3k2n n GLY 126 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3k2n n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k2n s ARG 127 N -0.23 3.48 -0.29 1.61 3.52 -1.04 -5.06 118.95 120.94 3k2n s ARG 127 Ca 0.00 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 3k2n s ARG 127 Cb 0.00 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 3k2n s ARG 127 CO 0.00 0.75 1.04 0.08 -0.81 0.00 0.00 175.30 176.36 3k2n s VAL 128 N -0.94 4.59 -0.09 7.11 1.01 -1.26 -1.88 120.40 128.94 3k2n s VAL 128 Ca 0.15 1.79 0.22 0.00 0.00 0.00 0.00 61.98 64.13 3k2n s VAL 128 Cb -0.12 -4.36 -0.25 0.00 0.00 0.00 0.00 36.38 31.65 3k2n s VAL 128 CO 0.04 -0.36 0.59 2.30 0.00 0.00 0.00 175.10 177.66 3k2n n ILE 129 N 5.67 0.27 -3.47 2.22 -5.35 0.52 -4.88 119.36 114.34 3k2n n ILE 129 Ca 0.11 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3k2n n ILE 129 Cb 0.47 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3k2n n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k2n n GLY 130 N 1.28 0.92 2.90 3.28 0.00 -1.18 0.02 105.19 112.42 3k2n n GLY 130 Ca -0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.28 0.00 -0.06 1.61 0.08 -0.28 -0.20 117.98 115.84 3k2n s PHE 131 Ca 0.00 0.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.94 3k2n s PHE 131 Cb 0.00 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 3k2n s PHE 131 CO 0.00 -0.03 0.29 -1.17 -0.10 0.00 0.00 175.22 174.21 3k2n s LEU 132 N -0.13 4.42 -0.03 -0.37 2.96 0.12 -1.04 118.68 124.61 3k2n s LEU 132 Ca -0.02 0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 3k2n s LEU 132 Cb -0.01 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.33 3k2n s LEU 132 CO -0.00 0.34 0.11 -0.55 -1.32 0.00 0.00 176.35 174.92 3k2n s SER 133 N -0.91 -0.06 0.08 3.68 0.15 -0.75 -0.15 113.70 115.74 3k2n s SER 133 Ca 0.20 0.09 0.09 0.00 0.70 0.00 0.00 55.95 57.03 3k2n s SER 133 Cb -0.14 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 3k2n s SER 133 CO 0.09 -0.12 -0.24 -0.36 1.20 0.00 0.00 173.24 173.81 3k2n s PHE 134 N -0.32 2.05 0.05 3.44 0.08 -0.90 -1.74 117.98 120.64 3k2n s PHE 134 Ca -0.04 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.67 3k2n s PHE 134 Cb -0.03 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.24 3k2n s PHE 134 CO 0.00 0.20 -0.15 0.14 -0.10 0.00 0.00 175.22 175.31 3k2n s VAL 135 N -0.98 1.21 0.02 -0.44 -7.23 -0.35 -1.46 120.40 111.17 3k2n s VAL 135 Ca 0.10 -1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3k2n s VAL 135 Cb -0.10 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 3k2n s VAL 135 CO 0.04 -0.01 0.04 -0.44 -0.31 0.00 0.00 175.10 174.42 3k2n s SER 136 N -1.27 0.20 0.09 4.85 0.01 -0.70 0.11 113.70 117.00 3k2n s SER 136 Ca 0.02 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3k2n s SER 136 Cb -0.08 0.17 -0.20 0.00 0.21 0.00 0.00 66.02 66.11 3k2n s SER 136 CO 0.02 -0.40 1.20 0.00 0.41 0.00 0.00 173.24 174.47 3k2n h ALA 137 N 4.15 0.19 -2.68 1.44 0.00 -1.88 -0.05 119.26 120.43 3k2n h ALA 137 Ca -0.32 -0.77 -0.56 0.00 0.00 0.00 0.00 54.91 53.26 3k2n h ALA 137 Cb 1.19 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3k2n h ALA 137 CO 0.46 0.81 -0.01 -1.21 0.00 0.00 0.00 179.25 179.30 3k2n s GLU 138 N -3.04 4.22 -1.12 0.00 2.02 -1.26 -3.96 118.70 115.56 3k2n s GLU 138 Ca -0.06 0.76 -0.16 0.00 0.02 0.00 0.00 54.97 55.53 3k2n s GLU 138 Cb 0.07 -3.19 0.15 0.00 0.10 0.00 0.00 34.13 31.26 3k2n s GLU 138 CO 0.89 0.61 1.36 -1.21 0.02 0.00 0.00 175.26 176.92 3k2n s GLU 139 N -1.24 3.90 0.60 1.61 2.02 -1.26 -4.58 118.70 119.75 3k2n s GLU 139 Ca 0.31 -2.21 -0.17 0.00 0.02 0.00 0.00 54.97 52.92 3k2n s GLU 139 Cb -0.19 -5.06 -0.03 0.00 0.10 0.00 0.00 34.13 28.95 3k2n s GLU 139 CO 0.20 -1.82 1.12 0.21 0.02 0.00 0.00 175.26 174.98 3k2n s LYS 140 N 2.28 3.07 -0.04 1.61 2.20 -1.26 -5.00 119.74 122.60 3k2n s LYS 140 Ca 0.40 1.48 -0.30 0.00 -0.36 0.00 0.00 55.97 57.19 3k2n s LYS 140 Cb -0.03 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.28 3k2n s LYS 140 CO -0.03 -1.05 1.16 -1.17 -0.36 0.00 0.00 175.35 173.90 3k2n s LEU 141 N -4.38 4.29 -0.46 5.43 2.96 -1.26 -5.01 118.68 120.25 3k2n s LEU 141 Ca 0.69 1.79 -0.11 0.00 -0.22 0.00 0.00 54.13 56.28 3k2n s LEU 141 Cb -0.22 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.01 3k2n s LEU 141 CO 0.35 -0.53 0.34 0.26 -1.32 0.00 0.00 176.35 175.45 3k2n s TRP 142 N 1.97 3.34 1.01 5.38 0.52 -1.26 -5.07 118.94 124.82 3k2n s TRP 142 Ca 0.55 -1.50 -0.12 0.00 0.02 0.00 0.00 56.10 55.06 3k2n s TRP 142 Cb -0.24 -3.28 0.20 0.00 -1.15 0.00 0.00 33.47 29.00 3k2n s TRP 142 CO 0.23 -0.91 1.08 -1.54 0.02 0.00 0.00 176.95 175.83 3k2n s SER 143 N 2.58 2.38 0.18 2.95 1.04 -1.26 -4.82 113.70 116.75 3k2n s SER 143 Ca 0.04 1.54 -0.10 0.00 0.48 0.00 0.00 55.95 57.90 3k2n s SER 143 Cb -0.25 -2.21 0.09 0.00 0.10 0.00 0.00 66.02 63.74 3k2n s SER 143 CO 0.02 -3.33 1.71 -0.78 0.98 0.00 0.00 173.24 171.84 3k2n h ASP 144 N -2.03 0.94 -0.79 7.02 3.58 -1.99 -1.59 116.42 121.56 3k2n h ASP 144 Ca -0.54 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 56.70 3k2n h ASP 144 Cb 1.31 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 3k2n h ASP 144 CO 0.52 0.91 0.52 1.23 -2.88 0.00 0.00 179.24 179.53 3k2n h GLY 145 N 0.92 1.13 0.49 -0.78 0.00 -1.99 0.19 103.07 103.03 3k2n h GLY 145 Ca 0.20 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3k2n h GLY 145 CO -0.00 0.42 0.06 -0.55 0.00 0.00 0.00 176.54 176.47 3k2n h ASP 146 N 1.08 -0.03 -0.54 0.19 3.32 -1.87 -1.69 116.42 116.88 3k2n h ASP 146 Ca 0.29 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 3k2n h ASP 146 Cb -0.10 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k2n h ASP 146 CO -0.06 0.02 -0.06 0.11 -1.72 0.00 0.00 179.24 177.53 3k2n h LYS 147 N 0.18 1.00 -0.50 3.56 1.57 -0.67 -1.62 116.57 120.08 3k2n h LYS 147 Ca 0.19 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3k2n h LYS 147 Cb 0.23 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3k2n h LYS 147 CO -0.26 1.03 0.30 0.77 -0.57 0.00 0.00 179.45 180.71 3k2n h SER 148 N 0.88 0.48 -0.22 0.86 0.02 -0.54 0.81 113.55 115.83 3k2n h SER 148 Ca 0.15 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3k2n h SER 148 Cb 0.62 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 3k2n h SER 148 CO 0.04 0.34 0.02 0.25 -1.14 0.00 0.00 176.83 176.34 3k2n h LEU 149 N 0.59 -0.04 -0.73 5.07 6.46 -1.13 0.18 115.31 125.71 3k2n h LEU 149 Ca 0.20 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3k2n h LEU 149 Cb 0.03 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 3k2n h LEU 149 CO -0.09 0.01 0.47 0.25 -0.62 0.00 0.00 178.44 178.46 3k2n h LEU 150 N 0.10 0.79 0.47 2.25 5.85 -1.04 -1.56 115.31 122.18 3k2n h LEU 150 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3k2n h LEU 150 Cb 0.12 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3k2n h LEU 150 CO -0.16 0.56 -0.23 -1.28 -0.34 0.00 0.00 178.44 177.00 3k2n h SER 151 N 0.94 -0.54 -0.66 1.25 0.87 -0.25 1.00 113.55 116.16 3k2n h SER 151 Ca 0.28 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 3k2n h SER 151 Cb -0.04 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 3k2n h SER 151 CO -0.09 -0.33 0.31 1.23 -0.53 0.00 0.00 176.83 177.42 3k2n h GLY 152 N -0.72 0.97 1.75 5.77 0.00 -0.50 -1.07 103.07 109.27 3k2n h GLY 152 Ca -0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3k2n h GLY 152 CO 0.11 0.05 -0.57 -0.24 0.00 0.00 0.00 176.54 175.89 3k2n h VAL 153 N 0.54 1.37 0.00 4.60 3.04 -1.24 -2.55 116.25 122.01 3k2n h VAL 153 Ca 0.32 -1.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.09 3k2n h VAL 153 Cb 0.34 1.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 3k2n h VAL 153 CO -0.26 0.56 -0.13 0.28 -1.01 0.00 0.00 177.57 177.01 3k2n h SER 154 N 0.20 0.00 -0.21 3.17 0.02 0.43 -2.78 113.55 114.37 3k2n h SER 154 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3k2n h SER 154 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3k2n h SER 154 CO 0.09 0.13 0.11 0.28 -1.14 0.00 0.00 176.83 176.30 3k2n h SER 155 N 0.00 0.17 -0.40 3.07 0.02 -0.87 0.20 113.55 115.74 3k2n h SER 155 Ca -0.00 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3k2n h SER 155 Cb 0.30 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3k2n h SER 155 CO 0.02 0.13 -0.23 0.28 -1.14 0.00 0.00 176.83 175.88 3k2n h SER 156 N 0.23 0.93 0.31 3.07 0.02 -1.57 -2.54 113.55 114.01 3k2n h SER 156 Ca 0.08 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3k2n h SER 156 Cb 0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3k2n h SER 156 CO -0.05 1.12 -0.35 0.40 -1.14 0.00 0.00 176.83 176.81 3k2n h ILE 157 N 0.78 1.26 -0.34 3.27 2.04 -1.23 -1.18 117.51 122.11 3k2n h ILE 157 Ca 0.10 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3k2n h ILE 157 Cb 0.79 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3k2n h ILE 157 CO 0.07 0.36 0.22 0.00 0.00 0.00 0.00 178.15 178.79 3k2n h ALA 158 N 1.60 0.43 -0.01 1.87 0.00 -0.18 -1.77 119.26 121.20 3k2n h ALA 158 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3k2n h ALA 158 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3k2n h ALA 158 CO 0.05 -0.12 -0.81 0.82 0.00 0.00 0.00 179.25 179.19 3k2n h ILE 159 N 0.45 1.50 -0.64 0.00 1.08 -1.31 -0.48 117.51 118.11 3k2n h ILE 159 Ca 0.12 -2.54 0.02 0.00 -0.39 0.00 0.00 64.86 62.07 3k2n h ILE 159 Cb -0.05 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.06 3k2n h ILE 159 CO -0.03 0.74 0.41 0.00 -0.69 0.00 0.00 178.15 178.57 3k2n h ALA 160 N 1.08 0.82 -0.07 1.87 0.00 -1.06 -0.17 119.26 121.74 3k2n h ALA 160 Ca -0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3k2n h ALA 160 Cb 1.41 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3k2n h ALA 160 CO 0.12 0.18 -0.48 0.28 0.00 0.00 0.00 179.25 179.35 3k2n h VAL 161 N 0.81 1.40 -0.65 0.00 2.07 -1.21 -2.20 116.25 116.47 3k2n h VAL 161 Ca 0.25 -1.87 0.14 0.00 0.82 0.00 0.00 66.70 66.04 3k2n h VAL 161 Cb -0.03 2.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 3k2n h VAL 161 CO -0.08 0.55 -0.01 -1.28 0.02 0.00 0.00 177.57 176.77 3k2n h SER 162 N -0.01 -0.31 -0.45 0.57 0.87 -1.01 -0.96 113.55 112.24 3k2n h SER 162 Ca -0.04 0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3k2n h SER 162 Cb 1.14 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 3k2n h SER 162 CO 0.10 -0.14 0.12 0.78 -0.53 0.00 0.00 176.83 177.16 3k2n h ASN 163 N 0.11 0.73 -0.30 6.23 2.35 -0.97 -1.88 115.58 121.84 3k2n h ASN 163 Ca 0.34 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3k2n h ASN 163 Cb 0.56 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3k2n h ASN 163 CO -0.57 0.72 -0.06 0.00 -1.65 0.00 0.00 177.43 175.88 3k2n h ALA 164 N 1.37 0.41 -0.23 -0.83 0.00 -0.58 -1.63 119.26 117.77 3k2n h ALA 164 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3k2n h ALA 164 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k2n h ALA 164 CO -0.00 0.22 0.10 -0.07 0.00 0.00 0.00 179.25 179.49 3k2n h LEU 165 N 0.33 0.28 0.09 0.00 4.07 -1.01 -1.51 115.31 117.56 3k2n h LEU 165 Ca 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3k2n h LEU 165 Cb 0.53 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3k2n h LEU 165 CO 0.03 0.26 -0.04 0.00 -1.08 0.00 0.00 178.44 177.60 3k2n h ALA 166 N 1.79 -0.12 -0.20 1.53 0.00 -0.86 -2.57 119.26 118.82 3k2n h ALA 166 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3k2n h ALA 166 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k2n h ALA 166 CO -0.01 -0.35 0.15 1.88 0.00 0.00 0.00 179.25 180.92 3k2n h TYR 167 N -0.55 0.00 -0.08 0.00 0.99 -1.13 0.96 116.97 117.16 3k2n h TYR 167 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 3k2n h TYR 167 Cb 0.46 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.18 3k2n h TYR 167 CO 0.06 0.00 -0.07 1.49 -0.00 0.00 0.00 178.16 179.65 3k2n h GLU 168 N 0.00 0.19 -0.17 4.88 4.57 -1.20 -1.31 114.58 121.54 3k2n h GLU 168 Ca 0.10 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3k2n h GLU 168 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3k2n h GLU 168 CO -0.00 0.60 0.08 1.49 -1.18 0.00 0.00 179.01 180.00 3k2n h GLU 169 N -0.22 0.18 -0.87 1.92 4.22 -1.02 -2.61 114.58 116.18 3k2n h GLU 169 Ca 0.01 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.60 3k2n h GLU 169 Cb 0.56 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3k2n h GLU 169 CO 0.02 0.12 0.57 -0.07 -2.18 0.00 0.00 179.01 177.46 3k2n h LEU 170 N 0.18 0.58 -0.14 1.64 4.07 -0.71 0.99 115.31 121.92 3k2n h LEU 170 Ca 0.07 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3k2n h LEU 170 Cb 0.01 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3k2n h LEU 170 CO -0.04 0.28 -0.16 -2.11 -1.08 0.00 0.00 178.44 175.33 3k2n n ARG 171 N -4.55 0.41 0.02 1.13 1.85 -0.51 -2.53 116.66 112.49 3k2n n ARG 171 Ca 0.17 -0.14 -0.22 0.00 -1.00 0.00 0.00 57.85 56.66 3k2n n ARG 171 Cb 0.52 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 3k2n n ARG 171 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3k2n h GLN 172 N 0.34 0.27 0.00 2.89 1.08 -0.61 -3.32 115.11 115.77 3k2n h GLN 172 Ca 0.00 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3k2n h GLN 172 Cb 0.41 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3k2n h GLN 172 CO 0.00 1.22 0.00 0.54 -0.95 0.00 0.00 178.83 179.64 3k2n n ARG 173 N -3.72 0.13 0.00 1.46 1.74 -0.52 -5.13 116.66 110.62 3k2n n ARG 173 Ca -0.28 0.46 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 3k2n n ARG 173 Cb 0.98 -1.80 0.28 0.00 -1.02 0.00 0.00 32.46 30.91 3k2n n ARG 173 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20