#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsf n LEU 2 N 0.00 0.00 -2.69 4.03 -0.00 -1.26 -3.62 117.00 113.46 1wsf n LEU 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1wsf n LEU 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1wsf n LEU 2 CO 0.00 0.00 -0.58 1.17 -0.00 0.00 0.00 177.39 177.98 1wsf n LYS 3 N 0.00 -3.97 -3.14 1.47 0.00 -1.26 -3.17 118.16 108.10 1wsf n LYS 3 Ca 0.00 3.07 -0.39 0.00 0.00 0.00 0.00 58.31 60.99 1wsf n LYS 3 Cb 0.00 -4.92 -0.06 0.00 0.00 0.00 0.00 35.03 30.05 1wsf n LYS 3 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wsf s GLN 4 N -1.02 4.35 0.01 1.64 -0.21 -1.26 -2.04 119.66 121.13 1wsf s GLN 4 Ca -0.16 0.91 -0.00 0.00 0.02 0.00 0.00 55.36 56.13 1wsf s GLN 4 Cb 0.01 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1wsf s GLN 4 CO 0.74 0.58 -0.01 0.08 -2.12 0.00 0.00 175.29 174.56 1wsf s VAL 5 N -1.18 0.08 -0.13 1.09 1.01 -0.17 -4.61 120.40 116.49 1wsf s VAL 5 Ca 0.33 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1wsf s VAL 5 Cb -0.21 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1wsf s VAL 5 CO 0.22 -0.35 -0.20 -1.61 0.00 0.00 0.00 175.10 173.16 1wsf s GLU 6 N -1.02 2.81 -0.10 2.72 2.02 -0.50 -1.83 118.70 122.79 1wsf s GLU 6 Ca -0.11 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.13 1wsf s GLU 6 Cb -0.07 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1wsf s GLU 6 CO -0.01 0.00 -0.22 0.42 0.02 0.00 0.00 175.26 175.47 1wsf s ILE 7 N 0.78 1.94 -0.08 -1.63 1.01 -0.53 -0.99 121.20 121.71 1wsf s ILE 7 Ca -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1wsf s ILE 7 Cb -0.16 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1wsf s ILE 7 CO -0.00 0.53 -0.17 -0.36 0.00 0.00 0.00 174.94 174.94 1wsf s PHE 8 N 0.41 2.66 -0.06 3.97 0.08 -0.81 -0.22 117.98 124.01 1wsf s PHE 8 Ca -0.18 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 1wsf s PHE 8 Cb -0.18 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1wsf s PHE 8 CO 0.08 -0.04 0.22 0.95 -0.10 0.00 0.00 175.22 176.33 1wsf s THR 9 N -0.25 0.03 0.05 0.64 -4.23 -0.71 -0.84 115.64 110.33 1wsf s THR 9 Ca 0.00 -0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1wsf s THR 9 Cb -0.13 -0.39 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1wsf s THR 9 CO 0.03 -0.12 0.25 -0.62 -0.54 0.00 0.00 174.62 173.62 1wsf s ASP 10 N -0.40 -0.04 0.06 3.99 -1.08 0.04 -4.23 116.67 115.01 1wsf s ASP 10 Ca -0.05 -0.31 0.04 0.00 -0.52 0.00 0.00 52.55 51.71 1wsf s ASP 10 Cb -0.03 0.33 -0.03 0.00 -1.46 0.00 0.00 42.92 41.73 1wsf s ASP 10 CO 0.01 -0.60 -0.12 -0.83 0.52 0.00 0.00 175.17 174.15 1wsf s GLY 11 N -2.15 0.71 0.01 2.66 0.00 -1.26 -0.98 107.32 106.31 1wsf s GLY 11 Ca -0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 1wsf s GLY 11 CO -0.04 -0.92 0.06 -0.45 0.00 0.00 0.00 173.10 171.75 1wsf s SER 12 N -1.62 0.11 -0.05 1.64 0.15 0.94 -4.81 113.70 110.07 1wsf s SER 12 Ca -0.05 -0.32 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 1wsf s SER 12 Cb -0.10 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1wsf s SER 12 CO 0.01 -0.33 0.32 0.00 1.20 0.00 0.00 173.24 174.44 1wsf n LEU 14 N 1.85 0.52 0.00 0.00 4.77 0.36 -4.92 117.00 119.58 1wsf n LEU 14 Ca -0.19 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1wsf n LEU 14 Cb 0.57 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1wsf n LEU 14 CO 0.20 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1wsf n GLY 15 N 1.45 3.66 2.76 -0.72 0.00 -1.26 -4.93 105.19 106.16 1wsf n GLY 15 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 1wsf n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wsf s ASN 16 N 1.85 -1.40 0.45 1.61 3.04 -1.26 -4.10 114.94 115.12 1wsf s ASN 16 Ca 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 52.86 51.12 1wsf s ASN 16 Cb 0.00 1.86 -0.04 0.00 -1.54 0.00 0.00 41.25 41.54 1wsf s ASN 16 CO 0.00 -0.05 0.73 -2.16 -3.04 0.00 0.00 177.10 172.57 1wsf s PRO 17 N 0.88 3.54 0.21 0.43 0.04 -1.26 -5.00 135.00 133.83 1wsf s PRO 17 Ca 0.30 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1wsf s PRO 17 Cb -0.00 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1wsf s PRO 17 CO -0.05 -0.11 0.54 0.41 0.04 0.00 0.00 177.00 177.82 1wsf n GLY 18 N -2.09 1.21 3.76 0.56 0.00 -0.65 -4.86 105.19 103.11 1wsf n GLY 18 Ca -0.01 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1wsf n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wsf s PRO 19 N -2.05 3.75 0.36 1.61 0.02 -1.11 -0.17 135.00 137.40 1wsf s PRO 19 Ca 0.11 2.19 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 1wsf s PRO 19 Cb -0.03 -2.62 0.01 0.00 0.02 0.00 0.00 34.50 31.88 1wsf s PRO 19 CO 0.06 -0.69 0.49 0.20 -0.33 0.00 0.00 177.00 176.73 1wsf s GLY 20 N -0.78 1.58 0.27 0.52 0.00 0.09 -0.48 107.32 108.52 1wsf s GLY 20 Ca 0.61 -1.57 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 1wsf s GLY 20 CO 0.49 -1.01 0.81 -0.32 0.00 0.00 0.00 173.10 173.07 1wsf s GLY 21 N -3.26 0.01 0.10 0.20 0.00 0.22 -0.45 107.32 104.14 1wsf s GLY 21 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 1wsf s GLY 21 CO 0.22 0.05 0.00 -2.52 0.00 0.00 0.00 173.10 170.85 1wsf s TYR 22 N -3.28 0.80 -0.10 1.90 -0.85 -1.10 -0.04 117.35 114.68 1wsf s TYR 22 Ca 0.13 -1.10 -0.07 0.00 -0.52 0.00 0.00 57.07 55.51 1wsf s TYR 22 Cb -0.05 -0.48 0.04 0.00 0.38 0.00 0.00 41.96 41.84 1wsf s TYR 22 CO 0.07 -0.37 0.26 0.20 -1.52 0.00 0.00 175.55 174.18 1wsf s GLY 23 N -3.02 -0.18 -0.05 5.49 0.00 -0.15 -3.49 107.32 105.92 1wsf s GLY 23 Ca 0.16 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 45.66 1wsf s GLY 23 CO -0.03 0.95 0.25 0.00 0.00 0.00 0.00 173.10 174.27 1wsf s ALA 24 N 0.68 -0.63 -0.11 3.20 0.00 -0.52 -0.78 121.76 123.61 1wsf s ALA 24 Ca -0.04 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1wsf s ALA 24 Cb -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1wsf s ALA 24 CO -0.04 -0.18 -0.15 0.42 0.00 0.00 0.00 175.76 175.81 1wsf s ILE 25 N -0.63 1.48 -0.33 0.00 1.01 -0.02 -0.17 121.20 122.55 1wsf s ILE 25 Ca -0.07 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1wsf s ILE 25 Cb -0.04 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1wsf s ILE 25 CO 0.02 0.44 0.15 -0.22 0.00 0.00 0.00 174.94 175.32 1wsf s LEU 26 N 1.03 4.25 -0.11 2.97 2.96 0.12 -1.92 118.68 127.97 1wsf s LEU 26 Ca -0.06 -0.75 0.02 0.00 -0.22 0.00 0.00 54.13 53.12 1wsf s LEU 26 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1wsf s LEU 26 CO -0.02 -0.26 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.97 1wsf s ARG 27 N 1.56 3.17 -0.04 1.98 3.52 -0.16 0.38 118.95 129.37 1wsf s ARG 27 Ca 0.03 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1wsf s ARG 27 Cb -0.18 -2.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.76 1wsf s ARG 27 CO 0.05 0.24 0.00 -0.47 -0.81 0.00 0.00 175.30 174.31 1wsf s TYR 28 N 0.25 0.37 -1.07 5.12 6.14 0.35 -1.42 117.35 127.10 1wsf s TYR 28 Ca -0.12 -0.02 -0.06 0.00 0.64 0.00 0.00 57.07 57.52 1wsf s TYR 28 Cb -0.16 -0.48 0.06 0.00 0.42 0.00 0.00 41.96 41.79 1wsf s TYR 28 CO 0.06 -0.16 0.14 0.54 0.64 0.00 0.00 175.55 176.77 1wsf n ARG 29 N 4.34 -0.91 0.00 4.97 1.74 -1.26 0.94 116.66 126.48 1wsf n ARG 29 Ca -0.22 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1wsf n ARG 29 Cb 0.50 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1wsf n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsf n GLY 30 N -1.59 3.23 3.78 -0.13 0.00 -1.26 -5.05 105.19 104.18 1wsf n GLY 30 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1wsf n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wsf s ARG 31 N -0.52 4.49 -0.03 1.61 3.00 0.27 -5.08 118.95 122.69 1wsf s ARG 31 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 55.73 56.87 1wsf s ARG 31 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 34.95 31.67 1wsf s ARG 31 CO 0.00 0.55 -0.24 -1.21 0.00 0.00 0.00 175.30 174.40 1wsf s GLU 32 N -1.02 2.14 -0.13 3.54 2.02 -1.26 -0.49 118.70 123.49 1wsf s GLU 32 Ca 0.35 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1wsf s GLU 32 Cb -0.22 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 1wsf s GLU 32 CO 0.24 0.46 -0.18 0.15 0.02 0.00 0.00 175.26 175.96 1wsf s LYS 33 N -0.39 3.19 0.02 1.61 1.02 0.16 -4.95 119.74 120.41 1wsf s LYS 33 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1wsf s LYS 33 Cb -0.11 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1wsf s LYS 33 CO 0.01 0.10 0.10 0.99 -0.92 0.00 0.00 175.35 175.62 1wsf s THR 34 N 0.60 4.80 0.01 2.17 2.01 -1.26 0.11 115.64 124.08 1wsf s THR 34 Ca -0.10 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1wsf s THR 34 Cb -0.16 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1wsf s THR 34 CO 0.03 0.28 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.83 1wsf s PHE 35 N -1.28 0.43 -0.29 4.92 0.08 0.76 -4.99 117.98 117.62 1wsf s PHE 35 Ca 0.26 -0.23 -0.32 0.00 0.12 0.00 0.00 56.93 56.75 1wsf s PHE 35 Cb -0.12 -0.27 0.18 0.00 -0.57 0.00 0.00 43.02 42.24 1wsf s PHE 35 CO 0.17 -0.04 1.37 -1.54 -0.10 0.00 0.00 175.22 175.08 1wsf s SER 36 N -0.64 -0.03 -0.12 1.36 1.04 -1.26 -1.44 113.70 112.62 1wsf s SER 36 Ca -0.03 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.12 1wsf s SER 36 Cb -0.05 0.03 0.12 0.00 0.10 0.00 0.00 66.02 66.22 1wsf s SER 36 CO -0.00 -0.03 0.97 0.00 0.98 0.00 0.00 173.24 175.16 1wsf s ALA 37 N -1.38 -1.91 0.09 5.32 0.00 -1.23 -5.01 121.76 117.65 1wsf s ALA 37 Ca 0.10 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.57 1wsf s ALA 37 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1wsf s ALA 37 CO -0.06 -0.42 -0.14 0.20 0.00 0.00 0.00 175.76 175.34 1wsf s GLY 38 N -1.50 1.71 -0.04 0.00 0.00 -1.26 -2.70 107.32 103.54 1wsf s GLY 38 Ca 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1wsf s GLY 38 CO -0.01 -1.20 -0.17 -0.19 0.00 0.00 0.00 173.10 171.53 1wsf s TYR 39 N -1.11 1.64 0.39 1.90 1.51 0.40 -1.34 117.35 120.73 1wsf s TYR 39 Ca 0.18 -0.43 0.10 0.00 -1.01 0.00 0.00 57.07 55.92 1wsf s TYR 39 Cb -0.11 -1.09 0.88 0.00 -0.11 0.00 0.00 41.96 41.53 1wsf s TYR 39 CO 0.10 -0.13 1.93 1.79 -1.11 0.00 0.00 175.55 178.13 1wsf h THR 40 N 5.13 0.90 -1.70 -0.71 1.35 -1.27 0.30 112.91 116.91 1wsf h THR 40 Ca -0.34 -0.21 -0.14 0.00 -0.55 0.00 0.00 66.41 65.18 1wsf h THR 40 Cb 1.17 0.24 -0.28 0.00 -1.73 0.00 0.00 68.15 67.55 1wsf h THR 40 CO 0.48 0.11 -0.48 -0.60 -0.25 0.00 0.00 175.52 174.78 1wsf s ARG 41 N -5.57 0.41 0.00 4.72 3.52 -1.26 -2.76 118.95 118.01 1wsf s ARG 41 Ca -0.09 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1wsf s ARG 41 Cb 0.20 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.31 1wsf s ARG 41 CO 0.77 -0.84 0.00 -2.37 -0.81 0.00 0.00 175.30 172.06 1wsf n THR 42 N 5.37 0.00 -4.31 4.11 5.66 0.76 -4.51 114.28 121.36 1wsf n THR 42 Ca -0.01 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.82 1wsf n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1wsf n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsf s THR 43 N -1.90 1.26 0.17 1.09 -4.23 -1.26 -1.64 115.64 109.13 1wsf s THR 43 Ca 0.00 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.29 1wsf s THR 43 Cb 0.00 -2.11 0.07 0.00 1.34 0.00 0.00 72.50 71.80 1wsf s THR 43 CO 0.00 -0.53 1.81 -1.13 -0.54 0.00 0.00 174.62 174.22 1wsf h ASN 44 N 2.59 0.66 -0.18 3.99 -1.24 -1.86 -2.25 115.58 117.29 1wsf h ASN 44 Ca -0.38 -0.06 0.05 0.00 0.71 0.00 0.00 56.30 56.62 1wsf h ASN 44 Cb 1.21 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 1wsf h ASN 44 CO 0.64 0.52 -0.15 0.78 -1.29 0.00 0.00 177.43 177.93 1wsf h ASN 45 N 0.74 -0.48 -0.56 1.15 -0.26 -1.96 -1.65 115.58 112.56 1wsf h ASN 45 Ca 0.20 0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 1wsf h ASN 45 Cb -0.02 0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 1wsf h ASN 45 CO -0.04 -0.19 0.26 0.03 -1.06 0.00 0.00 177.43 176.43 1wsf h ARG 46 N -0.16 0.85 -0.49 0.81 3.08 -1.93 -1.76 114.38 114.78 1wsf h ARG 46 Ca 0.11 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1wsf h ARG 46 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wsf h ARG 46 CO -0.28 0.68 -0.15 0.52 -1.07 0.00 0.00 179.97 179.67 1wsf h MET 47 N 0.84 0.96 -0.28 0.04 2.86 -1.03 0.14 114.93 118.46 1wsf h MET 47 Ca 0.21 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1wsf h MET 47 Cb 0.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1wsf h MET 47 CO -0.02 1.06 -0.03 0.93 1.06 0.00 0.00 176.91 179.90 1wsf h GLU 48 N 0.82 0.44 0.00 1.72 5.08 -1.02 0.55 114.58 122.16 1wsf h GLU 48 Ca 0.12 -0.09 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1wsf h GLU 48 Cb 0.72 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1wsf h GLU 48 CO 0.06 0.49 -1.01 -0.07 -1.00 0.00 0.00 179.01 177.47 1wsf h LEU 49 N 0.42 0.79 -1.35 1.33 3.38 -1.00 -3.25 115.31 115.63 1wsf h LEU 49 Ca 0.09 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1wsf h LEU 49 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wsf h LEU 49 CO 0.01 1.44 0.01 -0.03 0.09 0.00 0.00 178.44 179.96 1wsf h MET 50 N 0.34 0.44 -0.19 1.13 4.05 0.03 -1.52 114.93 119.22 1wsf h MET 50 Ca -0.11 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.19 1wsf h MET 50 Cb 1.66 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1wsf h MET 50 CO 0.19 0.46 0.00 0.00 0.23 0.00 0.00 176.91 177.80 1wsf h ALA 51 N 1.59 0.25 -0.00 0.39 0.00 -0.97 -1.71 119.26 118.82 1wsf h ALA 51 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wsf h ALA 51 Cb 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wsf h ALA 51 CO 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1wsf h ALA 52 N 0.79 0.00 -0.22 0.00 0.00 -1.55 -3.00 119.26 115.28 1wsf h ALA 52 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1wsf h ALA 52 Cb 0.38 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1wsf h ALA 52 CO 0.01 -0.40 -0.20 0.82 0.00 0.00 0.00 179.25 179.48 1wsf h ILE 53 N -0.21 0.47 -0.37 0.00 2.04 -1.27 -2.26 117.51 115.91 1wsf h ILE 53 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1wsf h ILE 53 Cb 0.21 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1wsf h ILE 53 CO -0.00 0.00 0.17 0.58 0.00 0.00 0.00 178.15 178.90 1wsf h VAL 54 N -0.21 0.96 0.43 1.67 2.07 -1.33 -1.58 116.25 118.26 1wsf h VAL 54 Ca 0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1wsf h VAL 54 Cb 0.41 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1wsf h VAL 54 CO -0.35 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.10 1wsf h ALA 55 N 1.21 -0.58 0.08 1.67 0.00 -1.38 -2.48 119.26 117.77 1wsf h ALA 55 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wsf h ALA 55 Cb 0.09 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wsf h ALA 55 CO -0.13 -0.82 -0.34 -0.07 0.00 0.00 0.00 179.25 177.90 1wsf h LEU 56 N -0.59 -0.98 -0.18 0.00 3.38 -1.31 0.42 115.31 116.05 1wsf h LEU 56 Ca -0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wsf h LEU 56 Cb 0.45 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wsf h LEU 56 CO 0.10 -0.41 0.08 -0.62 0.09 0.00 0.00 178.44 177.67 1wsf n GLU 57 N -5.42 0.02 0.08 1.13 1.02 -0.60 0.89 120.64 117.76 1wsf n GLU 57 Ca -0.06 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1wsf n GLU 57 Cb 0.34 -1.63 0.34 0.00 -0.02 0.00 0.00 31.44 30.46 1wsf n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsf n ALA 58 N -1.47 2.51 -2.62 0.62 0.00 0.13 -4.78 120.51 114.90 1wsf n ALA 58 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1wsf n ALA 58 Cb 0.08 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1wsf n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsf s LEU 59 N -4.34 4.24 -0.50 0.00 1.43 0.26 -4.96 118.68 114.81 1wsf s LEU 59 Ca 0.09 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1wsf s LEU 59 Cb 0.13 -3.56 0.47 0.00 0.03 0.00 0.00 46.19 43.27 1wsf s LEU 59 CO 0.63 -0.50 1.71 2.29 0.23 0.00 0.00 176.35 180.71 1wsf n LYS 60 N 5.17 2.90 0.00 1.70 2.85 -1.26 -4.97 118.16 124.55 1wsf n LYS 60 Ca 0.10 -3.56 0.00 0.00 -1.05 0.00 0.00 58.31 53.80 1wsf n LYS 60 Cb 0.48 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 1wsf n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wsf n GLU 61 N -0.88 0.00 -1.58 -1.58 0.28 -1.26 -5.12 120.64 110.49 1wsf n GLU 61 Ca 0.54 0.00 -0.56 0.00 -0.16 0.00 0.00 57.16 56.98 1wsf n GLU 61 Cb 0.85 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.65 1wsf n GLU 61 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1wsf n HIS 62 N -0.28 1.31 -4.04 -1.84 8.25 -1.26 -4.95 115.22 112.41 1wsf n HIS 62 Ca 0.00 0.79 -0.10 0.00 -0.26 0.00 0.00 57.72 58.15 1wsf n HIS 62 Cb 0.00 -2.26 -0.11 0.00 1.12 0.00 0.00 29.99 28.74 1wsf n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wsf s GLU 64 N -2.14 3.26 -0.06 0.00 2.12 -0.87 -1.84 118.70 119.18 1wsf s GLU 64 Ca -0.08 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.85 1wsf s GLU 64 Cb -0.05 -3.98 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 1wsf s GLU 64 CO -0.02 -1.09 -0.13 0.08 -0.54 0.00 0.00 175.26 173.55 1wsf s VAL 65 N 2.91 3.14 -0.36 3.70 1.01 -0.35 -1.00 120.40 129.46 1wsf s VAL 65 Ca 0.22 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1wsf s VAL 65 Cb -0.15 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1wsf s VAL 65 CO 0.18 0.59 0.13 -0.51 0.00 0.00 0.00 175.10 175.49 1wsf s ILE 66 N -0.66 3.79 -0.42 2.22 2.07 -0.76 -0.54 121.20 126.90 1wsf s ILE 66 Ca 0.10 -1.25 -0.19 0.00 -1.41 0.00 0.00 60.65 57.90 1wsf s ILE 66 Cb -0.11 -3.21 0.02 0.00 0.13 0.00 0.00 42.46 39.29 1wsf s ILE 66 CO 0.01 -0.27 0.56 -0.76 -1.91 0.00 0.00 174.94 172.57 1wsf s LEU 67 N 1.38 4.60 -0.24 8.50 1.43 -0.05 -1.45 118.68 132.85 1wsf s LEU 67 Ca -0.00 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 1wsf s LEU 67 Cb -0.20 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1wsf s LEU 67 CO 0.02 -0.67 0.11 -0.55 0.23 0.00 0.00 176.35 175.49 1wsf s SER 68 N 1.90 5.62 0.02 2.29 0.15 0.69 -0.26 113.70 124.12 1wsf s SER 68 Ca 0.19 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1wsf s SER 68 Cb -0.15 -2.01 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 1wsf s SER 68 CO 0.16 0.03 0.27 0.28 1.20 0.00 0.00 173.24 175.18 1wsf s THR 69 N 1.23 0.08 -1.69 6.45 -1.32 -1.12 -1.74 115.64 117.53 1wsf s THR 69 Ca 0.06 -0.68 0.22 0.00 -1.21 0.00 0.00 61.69 60.08 1wsf s THR 69 Cb -0.14 -0.81 -0.07 0.00 -1.51 0.00 0.00 72.50 69.97 1wsf s THR 69 CO 0.05 -0.37 1.05 -0.90 -2.21 0.00 0.00 174.62 172.23 1wsf n ASP 70 N 0.86 1.67 -4.65 8.08 5.75 -1.26 -1.45 116.55 125.55 1wsf n ASP 70 Ca -0.20 -1.32 -0.42 0.00 -0.01 0.00 0.00 54.79 52.83 1wsf n ASP 70 Cb 0.58 0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 41.27 1wsf n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsf s SER 71 N -2.65 6.44 0.11 -1.12 0.15 -1.26 -4.87 113.70 110.50 1wsf s SER 71 Ca 0.15 2.21 -0.12 0.00 0.70 0.00 0.00 55.95 58.90 1wsf s SER 71 Cb 0.17 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.83 1wsf s SER 71 CO 0.67 -1.12 1.34 1.56 1.20 0.00 0.00 173.24 176.88 1wsf h GLN 72 N 10.58 0.79 -0.14 5.44 7.50 -1.95 -2.46 115.11 134.88 1wsf h GLN 72 Ca -0.41 -0.61 0.03 0.00 0.50 0.00 0.00 58.65 58.16 1wsf h GLN 72 Cb 1.20 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.81 1wsf h GLN 72 CO 0.96 1.23 -0.07 -0.92 -1.50 0.00 0.00 178.83 178.52 1wsf h TYR 73 N 0.56 -0.17 -0.43 2.96 3.20 -1.99 0.90 116.97 122.00 1wsf h TYR 73 Ca -0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1wsf h TYR 73 Cb 1.35 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 1wsf h TYR 73 CO 0.08 -0.11 0.06 0.28 -1.64 0.00 0.00 178.16 176.83 1wsf h VAL 74 N -0.06 1.21 -0.25 1.81 2.07 -1.93 -2.74 116.25 116.36 1wsf h VAL 74 Ca 0.08 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1wsf h VAL 74 Cb 0.18 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wsf h VAL 74 CO -0.18 0.28 -0.03 -0.09 0.02 0.00 0.00 177.57 177.57 1wsf h ARG 75 N 0.64 0.46 -0.30 1.57 2.43 -0.79 -1.97 114.38 116.42 1wsf h ARG 75 Ca 0.14 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1wsf h ARG 75 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1wsf h ARG 75 CO 0.00 0.66 0.20 0.37 -1.51 0.00 0.00 179.97 179.69 1wsf h GLN 76 N 0.21 0.39 -0.20 0.20 4.15 -0.74 -2.05 115.11 117.07 1wsf h GLN 76 Ca 0.07 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1wsf h GLN 76 Cb 0.48 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1wsf h GLN 76 CO 0.02 0.26 -0.20 0.78 -1.93 0.00 0.00 178.83 177.76 1wsf h GLY 77 N 0.40 0.37 1.41 2.39 0.00 -1.49 0.72 103.07 106.88 1wsf h GLY 77 Ca 0.11 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 1wsf h GLY 77 CO -0.02 0.25 -0.93 -2.22 0.00 0.00 0.00 176.54 173.61 1wsf h ILE 78 N 0.32 1.35 -0.02 2.60 1.08 -1.17 0.20 117.51 121.87 1wsf h ILE 78 Ca 0.06 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.23 1wsf h ILE 78 Cb 0.53 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1wsf h ILE 78 CO 0.04 0.70 -0.45 0.35 -0.69 0.00 0.00 178.15 178.09 1wsf n THR 79 N -3.81 0.00 0.00 -0.27 -2.24 -0.79 -4.60 114.28 102.57 1wsf n THR 79 Ca -0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1wsf n THR 79 Cb 0.82 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 1wsf n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsf n GLN 80 N 0.02 0.88 -0.08 -0.78 6.02 0.25 -4.98 117.38 118.70 1wsf n GLN 80 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1wsf n GLN 80 Cb 0.47 -0.63 -0.08 0.00 1.02 0.00 0.00 30.24 31.02 1wsf n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsf n TRP 81 N -1.04 0.00 -0.29 1.08 8.01 -1.14 -4.63 117.44 119.43 1wsf n TRP 81 Ca 0.00 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.29 1wsf n TRP 81 Cb 0.13 -0.66 0.23 0.00 -2.01 0.00 0.00 31.31 29.00 1wsf n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsf h ILE 82 N 0.00 0.28 -0.06 -0.99 6.09 -0.85 -1.39 117.51 120.59 1wsf h ILE 82 Ca -0.38 -0.05 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1wsf h ILE 82 Cb 1.62 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 39.04 1wsf h ILE 82 CO -0.05 0.02 0.04 -0.74 -3.07 0.00 0.00 178.15 174.35 1wsf h HIS 83 N 0.13 0.08 -0.95 2.19 2.76 -1.83 -2.21 115.15 115.31 1wsf h HIS 83 Ca 0.50 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1wsf h HIS 83 Cb 0.96 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.85 1wsf h HIS 83 CO -0.37 0.09 0.60 -0.91 -1.30 0.00 0.00 177.93 176.04 1wsf h ASN 84 N 0.04 1.12 -0.42 3.26 2.35 -1.56 -2.17 115.58 118.20 1wsf h ASN 84 Ca 0.02 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1wsf h ASN 84 Cb 0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1wsf h ASN 84 CO -0.00 0.83 0.14 -0.50 -1.65 0.00 0.00 177.43 176.25 1wsf h TRP 85 N 1.30 0.67 -0.91 1.19 6.55 -1.14 0.22 115.95 123.84 1wsf h TRP 85 Ca 0.35 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 60.11 1wsf h TRP 85 Cb -0.10 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 27.96 1wsf h TRP 85 CO 0.00 0.60 0.51 -0.22 -1.05 0.00 0.00 178.44 178.28 1wsf h LYS 86 N 0.54 1.26 0.00 0.49 1.63 -1.13 1.40 116.57 120.75 1wsf h LYS 86 Ca 0.14 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wsf h LYS 86 Cb 0.24 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1wsf h LYS 86 CO -0.01 0.92 -0.22 0.00 -3.45 0.00 0.00 179.45 176.69 1wsf h ALA 87 N 1.29 0.88 -0.45 5.00 0.00 -1.20 -3.25 119.26 121.53 1wsf h ALA 87 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wsf h ALA 87 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wsf h ALA 87 CO -0.05 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.07 1wsf n ARG 88 N -2.62 2.66 -2.97 0.00 0.63 0.76 -4.98 116.66 110.14 1wsf n ARG 88 Ca 0.04 -2.20 -0.11 0.00 -0.92 0.00 0.00 57.85 54.66 1wsf n ARG 88 Cb 0.49 -1.37 0.04 0.00 0.45 0.00 0.00 32.46 32.07 1wsf n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wsf n GLY 89 N 0.94 0.10 3.92 5.14 0.00 0.61 -3.40 105.19 112.50 1wsf n GLY 89 Ca 0.16 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1wsf n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsf n TRP 90 N -3.41 -1.82 -4.03 1.61 7.02 0.45 -4.97 117.44 112.30 1wsf n TRP 90 Ca -0.06 0.80 -0.12 0.00 -1.02 0.00 0.00 57.50 57.11 1wsf n TRP 90 Cb 0.55 -3.84 -0.12 0.00 -2.42 0.00 0.00 31.31 25.48 1wsf n TRP 90 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1wsf s LYS 91 N -6.46 0.40 0.08 -0.99 2.47 -1.22 -4.07 119.74 109.94 1wsf s LYS 91 Ca 0.19 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 53.73 1wsf s LYS 91 Cb -0.10 -0.14 -0.06 0.00 -1.46 0.00 0.00 37.83 36.08 1wsf s LYS 91 CO 0.87 0.02 0.88 0.95 0.16 0.00 0.00 175.35 178.22 1wsf s THR 92 N -1.17 4.61 0.00 3.43 -4.23 0.88 -4.77 115.64 114.39 1wsf s THR 92 Ca -0.10 1.88 0.00 0.00 -1.18 0.00 0.00 61.69 62.29 1wsf s THR 92 Cb -0.08 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.52 1wsf s THR 92 CO -0.00 0.33 0.00 0.00 -0.54 0.00 0.00 174.62 174.41 1wsf n ALA 93 N 2.82 0.00 0.96 3.99 0.00 -1.26 0.34 120.51 127.35 1wsf n ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wsf n ALA 93 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wsf n ALA 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wsf n ASP 94 N -2.33 2.81 -2.88 0.00 3.85 -1.26 -4.88 116.55 111.86 1wsf n ASP 94 Ca 0.00 -1.91 -0.02 0.00 -0.71 0.00 0.00 54.79 52.15 1wsf n ASP 94 Cb 0.00 -0.48 -0.01 0.00 -1.35 0.00 0.00 41.12 39.28 1wsf n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsf n LYS 95 N 0.51 -2.61 -3.65 0.11 4.76 1.04 -5.05 118.16 113.27 1wsf n LYS 95 Ca 0.00 2.18 0.02 0.00 -2.87 0.00 0.00 58.31 57.65 1wsf n LYS 95 Cb 0.47 -3.19 -0.06 0.00 -1.84 0.00 0.00 35.03 30.41 1wsf n LYS 95 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wsf s LYS 96 N -0.78 0.03 -0.17 1.97 2.20 -1.18 -4.84 119.74 116.97 1wsf s LYS 96 Ca -0.09 0.05 -0.41 0.00 -0.36 0.00 0.00 55.97 55.15 1wsf s LYS 96 Cb 0.01 0.01 -0.18 0.00 -1.51 0.00 0.00 37.83 36.15 1wsf s LYS 96 CO 0.42 -0.01 1.40 -2.30 -0.36 0.00 0.00 175.35 174.51 1wsf n PRO 97 N 3.01 0.47 -2.18 4.03 -0.02 -1.26 -0.09 135.00 138.97 1wsf n PRO 97 Ca -0.17 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1wsf n PRO 97 Cb 0.56 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1wsf n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsf s VAL 98 N 1.58 3.97 0.27 -1.45 -7.23 -1.26 -4.82 120.40 111.46 1wsf s VAL 98 Ca 0.95 0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 61.78 1wsf s VAL 98 Cb -1.23 -3.46 -0.10 0.00 0.56 0.00 0.00 36.38 32.15 1wsf s VAL 98 CO 0.63 -0.52 1.48 -0.75 -0.31 0.00 0.00 175.10 175.63 1wsf s LYS 99 N -3.99 4.23 -1.70 4.82 2.20 -1.26 -2.55 119.74 121.48 1wsf s LYS 99 Ca 0.63 2.38 -0.01 0.00 -0.36 0.00 0.00 55.97 58.61 1wsf s LYS 99 Cb -0.15 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1wsf s LYS 99 CO 0.34 -0.47 0.18 0.09 -0.36 0.00 0.00 175.35 175.13 1wsf n ASN 100 N 2.13 -5.95 -0.25 1.43 3.02 -1.26 -4.87 115.26 109.51 1wsf n ASN 100 Ca 0.06 -0.10 0.14 0.00 -0.03 0.00 0.00 54.58 54.66 1wsf n ASN 100 Cb 0.39 -4.90 0.42 0.00 -0.61 0.00 0.00 39.78 35.08 1wsf n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsf h VAL 101 N -0.42 0.79 -0.12 2.41 3.04 -1.89 -0.69 116.25 119.38 1wsf h VAL 101 Ca -0.50 -0.20 0.03 0.00 -1.01 0.00 0.00 66.70 65.01 1wsf h VAL 101 Cb 1.36 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1wsf h VAL 101 CO 0.58 0.11 -0.04 -2.24 -1.01 0.00 0.00 177.57 174.96 1wsf h ASP 102 N 0.59 -0.15 0.13 3.17 2.03 -1.89 -1.04 116.42 119.27 1wsf h ASP 102 Ca 0.45 0.04 -0.22 0.00 -0.73 0.00 0.00 57.03 56.57 1wsf h ASP 102 Cb 0.84 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1wsf h ASP 102 CO -0.19 -0.06 -0.85 -0.07 -1.03 0.00 0.00 179.24 177.04 1wsf h LEU 103 N -0.02 0.68 -0.39 0.15 3.38 -1.63 -2.61 115.31 114.87 1wsf h LEU 103 Ca 0.06 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1wsf h LEU 103 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1wsf h LEU 103 CO -0.14 1.27 0.07 -0.50 0.09 0.00 0.00 178.44 179.23 1wsf h TRP 104 N 0.35 0.68 -0.29 1.13 4.06 -1.06 0.54 115.95 121.36 1wsf h TRP 104 Ca -0.06 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 1wsf h TRP 104 Cb 1.46 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.42 1wsf h TRP 104 CO 0.07 0.67 0.15 1.96 -3.56 0.00 0.00 178.44 177.73 1wsf h GLN 105 N 0.49 0.40 -0.11 0.49 4.20 -1.25 0.10 115.11 119.43 1wsf h GLN 105 Ca 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1wsf h GLN 105 Cb 0.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1wsf h GLN 105 CO 0.01 0.37 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.36 1wsf h ARG 106 N 0.34 0.17 0.02 1.46 2.43 -1.31 -0.48 114.38 117.00 1wsf h ARG 106 Ca 0.10 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.01 1wsf h ARG 106 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1wsf h ARG 106 CO -0.01 0.26 -0.98 1.25 -1.51 0.00 0.00 179.97 178.97 1wsf h LEU 107 N 0.16 0.54 -0.71 3.80 5.85 -0.32 -2.29 115.31 122.35 1wsf h LEU 107 Ca 0.04 -0.45 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 1wsf h LEU 107 Cb 0.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1wsf h LEU 107 CO 0.01 1.25 -0.16 -0.78 -0.34 0.00 0.00 178.44 178.43 1wsf h ASP 108 N 0.22 0.83 -0.35 1.25 -0.00 -0.17 0.68 116.42 118.88 1wsf h ASP 108 Ca -0.09 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.03 56.58 1wsf h ASP 108 Cb 1.63 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 40.72 1wsf h ASP 108 CO 0.17 0.99 -0.07 0.00 -0.00 0.00 0.00 179.24 180.33 1wsf h ALA 109 N 1.08 1.05 -0.20 -0.78 0.00 -1.10 -1.48 119.26 117.84 1wsf h ALA 109 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wsf h ALA 109 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wsf h ALA 109 CO 0.05 0.58 0.10 0.00 0.00 0.00 0.00 179.25 179.98 1wsf h ALA 110 N 1.22 0.25 -0.11 0.00 0.00 -0.75 -2.80 119.26 117.07 1wsf h ALA 110 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1wsf h ALA 110 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wsf h ALA 110 CO 0.03 -0.19 -0.12 -0.07 0.00 0.00 0.00 179.25 178.90 1wsf h LEU 111 N 0.19 0.15 -1.86 0.00 3.38 -0.60 -2.86 115.31 113.72 1wsf h LEU 111 Ca 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wsf h LEU 111 Cb 0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wsf h LEU 111 CO -0.01 0.30 -0.03 1.23 0.09 0.00 0.00 178.44 180.02 1wsf h GLY 112 N 0.63 0.05 0.56 0.83 0.00 -0.99 -2.65 103.07 101.50 1wsf h GLY 112 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1wsf h GLY 112 CO 0.02 0.02 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1wsf n GLN 113 N -4.47 0.87 -4.05 4.80 6.02 -1.08 -4.85 117.38 114.63 1wsf n GLN 113 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 1wsf n GLN 113 Cb 0.13 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1wsf n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1wsf s HIS 114 N -2.00 0.56 -0.34 1.08 3.76 -1.00 -4.24 115.29 113.11 1wsf s HIS 114 Ca 0.24 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 54.13 1wsf s HIS 114 Cb 0.11 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.80 1wsf s HIS 114 CO 0.18 -0.92 0.24 -1.14 -0.85 0.00 0.00 174.74 172.25 1wsf s GLN 115 N -4.02 3.48 -0.06 1.40 2.00 -0.77 -4.97 119.66 116.73 1wsf s GLN 115 Ca 0.26 -0.65 -0.01 0.00 -2.00 0.00 0.00 55.36 52.96 1wsf s GLN 115 Cb 0.01 -3.80 -0.03 0.00 0.80 0.00 0.00 33.01 29.99 1wsf s GLN 115 CO 0.10 -0.44 0.01 0.42 -0.50 0.00 0.00 175.29 174.88 1wsf s ILE 116 N 1.72 4.35 -0.19 -2.34 -1.09 -1.26 -1.21 121.20 121.17 1wsf s ILE 116 Ca 0.06 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1wsf s ILE 116 Cb -0.17 -2.87 0.05 0.00 -1.58 0.00 0.00 42.46 37.88 1wsf s ILE 116 CO 0.10 0.53 -0.04 -1.59 -1.23 0.00 0.00 174.94 172.71 1wsf s LYS 117 N -1.13 1.37 -0.09 2.79 -2.85 0.29 -4.98 119.74 115.15 1wsf s LYS 117 Ca 0.16 -0.65 -0.28 0.00 -1.00 0.00 0.00 55.97 54.21 1wsf s LYS 117 Cb -0.11 -2.20 -0.02 0.00 -2.06 0.00 0.00 37.83 33.43 1wsf s LYS 117 CO 0.05 -0.51 0.91 -1.58 0.10 0.00 0.00 175.35 174.32 1wsf s TRP 118 N 1.60 3.54 -0.62 1.78 0.52 -1.26 -0.88 118.94 123.61 1wsf s TRP 118 Ca -0.02 1.48 -0.01 0.00 0.02 0.00 0.00 56.10 57.58 1wsf s TRP 118 Cb -0.17 -3.07 0.16 0.00 -1.15 0.00 0.00 33.47 29.25 1wsf s TRP 118 CO -0.07 -0.12 0.42 -2.00 0.02 0.00 0.00 176.95 175.20 1wsf s GLU 119 N 1.60 2.47 0.20 4.98 2.12 0.64 -4.92 118.70 125.79 1wsf s GLU 119 Ca 0.45 -2.65 -0.30 0.00 0.36 0.00 0.00 54.97 52.83 1wsf s GLU 119 Cb -0.18 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.49 1wsf s GLU 119 CO 0.19 -1.17 1.12 -1.58 -0.54 0.00 0.00 175.26 173.28 1wsf s TRP 120 N -0.29 3.57 -0.04 5.30 0.52 -1.26 -2.78 118.94 123.96 1wsf s TRP 120 Ca 0.18 1.59 0.06 0.00 0.02 0.00 0.00 56.10 57.95 1wsf s TRP 120 Cb -0.20 -3.30 -0.02 0.00 -1.15 0.00 0.00 33.47 28.79 1wsf s TRP 120 CO -0.04 -0.69 -0.20 0.14 0.02 0.00 0.00 176.95 176.19 1wsf s VAL 121 N -0.41 2.59 -0.07 4.03 -7.23 -0.53 -4.94 120.40 113.85 1wsf s VAL 121 Ca 0.49 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.81 1wsf s VAL 121 Cb -0.30 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 1wsf s VAL 121 CO 0.36 0.58 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.96 1wsf s LYS 122 N -0.65 2.59 1.42 4.82 -0.14 -1.26 -4.40 119.74 122.13 1wsf s LYS 122 Ca 0.10 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 1wsf s LYS 122 Cb -0.11 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1wsf s LYS 122 CO 0.00 0.30 0.00 0.41 -0.76 0.00 0.00 175.35 175.30 1wsf n GLY 123 N 3.14 1.58 3.29 -3.33 0.00 -1.26 -3.24 105.19 105.38 1wsf n GLY 123 Ca -0.18 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1wsf n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wsf n HIS 124 N 12.75 4.29 -1.79 1.61 1.44 -1.26 -3.84 115.22 128.42 1wsf n HIS 124 Ca 0.00 -2.94 0.00 0.00 -2.01 0.00 0.00 57.72 52.77 1wsf n HIS 124 Cb 0.00 -2.52 0.00 0.00 0.12 0.00 0.00 29.99 27.59 1wsf n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wsf n ALA 125 N 7.13 0.72 -2.22 1.59 0.00 -1.20 -5.12 120.51 121.41 1wsf n ALA 125 Ca 0.48 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1wsf n ALA 125 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1wsf n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wsf s GLY 126 N 0.00 1.91 1.20 0.00 0.00 -1.25 -4.84 107.32 104.34 1wsf s GLY 126 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.28 1wsf s GLY 126 CO 0.00 -0.07 1.09 0.30 0.00 0.00 0.00 173.10 174.42 1wsf s HIS 127 N -2.36 0.58 0.33 1.90 3.76 -1.26 -4.89 115.29 113.35 1wsf s HIS 127 Ca 0.50 0.56 0.21 0.00 -0.15 0.00 0.00 55.06 56.18 1wsf s HIS 127 Cb -0.10 -3.39 1.06 0.00 1.11 0.00 0.00 32.58 31.25 1wsf s HIS 127 CO 0.32 -3.86 1.92 -1.35 -0.85 0.00 0.00 174.74 170.92 1wsf h PRO 128 N -2.58 0.00 -0.42 8.40 0.11 -2.01 -2.75 132.00 132.75 1wsf h PRO 128 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1wsf h PRO 128 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1wsf h PRO 128 CO 0.36 0.24 -0.29 0.93 -0.21 0.00 0.00 178.00 179.03 1wsf h GLU 129 N 0.00 0.93 0.00 1.05 3.07 -2.00 -2.62 114.58 115.01 1wsf h GLU 129 Ca -0.00 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1wsf h GLU 129 Cb 0.56 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1wsf h GLU 129 CO 0.03 1.09 -0.02 -0.91 -1.40 0.00 0.00 179.01 177.80 1wsf h ASN 130 N 0.78 0.00 0.67 1.42 4.21 -1.83 -1.77 115.58 119.06 1wsf h ASN 130 Ca 0.09 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.39 1wsf h ASN 130 Cb 0.86 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.03 1wsf h ASN 130 CO 0.08 0.02 -1.47 -0.33 -1.29 0.00 0.00 177.43 174.44 1wsf h GLU 131 N 0.00 0.00 -0.35 0.81 4.39 -1.54 -2.95 114.58 114.94 1wsf h GLU 131 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1wsf h GLU 131 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1wsf h GLU 131 CO 0.00 0.39 -0.42 -0.09 -1.16 0.00 0.00 179.01 177.73 1wsf h ARG 132 N 0.00 0.91 -0.57 2.33 2.43 -1.06 -0.62 114.38 117.80 1wsf h ARG 132 Ca -0.19 -0.51 -0.02 0.00 -0.81 0.00 0.00 59.98 58.45 1wsf h ARG 132 Cb 1.73 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.29 1wsf h ARG 132 CO 0.06 1.15 0.29 0.00 -1.51 0.00 0.00 179.97 179.96 1wsf h ALA 134 N 1.53 0.57 -0.53 0.00 0.00 -1.28 -0.76 119.26 118.80 1wsf h ALA 134 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1wsf h ALA 134 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wsf h ALA 134 CO -0.03 0.62 0.10 0.93 0.00 0.00 0.00 179.25 180.87 1wsf h GLU 135 N 0.73 0.87 -0.21 0.00 5.08 -0.49 -0.44 114.58 120.12 1wsf h GLU 135 Ca 0.07 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1wsf h GLU 135 Cb 0.90 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1wsf h GLU 135 CO 0.08 0.84 0.10 -0.07 -1.00 0.00 0.00 179.01 178.97 1wsf h LEU 136 N 0.75 0.16 -0.26 1.33 3.38 -0.56 0.18 115.31 120.29 1wsf h LEU 136 Ca 0.16 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1wsf h LEU 136 Cb 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wsf h LEU 136 CO 0.01 0.12 0.15 0.00 0.09 0.00 0.00 178.44 178.81 1wsf h ALA 137 N 1.10 0.32 -0.22 1.53 0.00 -0.90 -0.27 119.26 120.82 1wsf h ALA 137 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1wsf h ALA 137 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wsf h ALA 137 CO -0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 179.25 178.69 1wsf h ARG 138 N 0.32 0.43 -0.22 0.00 3.08 -0.94 -0.94 114.38 116.12 1wsf h ARG 138 Ca 0.10 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1wsf h ARG 138 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1wsf h ARG 138 CO -0.04 0.68 -0.02 0.00 -1.07 0.00 0.00 179.97 179.52 1wsf h ALA 139 N 1.33 0.29 -0.52 0.04 0.00 -0.64 -2.52 119.26 117.25 1wsf h ALA 139 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1wsf h ALA 139 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wsf h ALA 139 CO 0.05 0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.56 1wsf h ALA 140 N 0.78 0.67 -0.01 0.00 0.00 -0.79 -2.34 119.26 117.56 1wsf h ALA 140 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wsf h ALA 140 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wsf h ALA 140 CO 0.01 0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.53 1wsf h ALA 141 N 1.07 1.93 -0.00 0.00 0.00 -1.12 -0.63 119.26 120.51 1wsf h ALA 141 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wsf h ALA 141 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wsf h ALA 141 CO -0.02 -0.02 -0.14 -1.33 0.00 0.00 0.00 179.25 177.75 1wsf n MET 142 N -4.41 0.14 -3.12 0.00 2.81 -0.90 -4.15 117.12 107.49 1wsf n MET 142 Ca -0.03 -0.03 -0.19 0.00 -1.81 0.00 0.00 57.70 55.64 1wsf n MET 142 Cb 0.10 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 1wsf n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsf n ASN 143 N -1.40 -0.03 -4.76 7.83 4.05 -0.28 -5.11 115.26 115.56 1wsf n ASN 143 Ca 0.08 -2.94 -0.41 0.00 0.45 0.00 0.00 54.58 51.76 1wsf n ASN 143 Cb 0.32 -0.22 -0.02 0.00 1.23 0.00 0.00 39.78 41.08 1wsf n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsf s PRO 144 N -1.39 4.35 0.00 1.20 0.04 -0.97 -4.65 135.00 133.58 1wsf s PRO 144 Ca 0.36 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1wsf s PRO 144 Cb 0.25 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1wsf s PRO 144 CO -0.11 -0.24 0.19 0.25 0.04 0.00 0.00 177.00 177.13 1wsf n THR 145 N 1.38 0.00 -4.37 1.26 -2.24 -0.93 -4.80 114.28 104.59 1wsf n THR 145 Ca 0.02 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 1wsf n THR 145 Cb 0.42 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1wsf n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsf s LEU 146 N -0.65 2.37 -0.12 3.22 1.43 -0.45 -4.99 118.68 119.50 1wsf s LEU 146 Ca 0.00 -1.18 -0.04 0.00 -1.03 0.00 0.00 54.13 51.89 1wsf s LEU 146 Cb 0.00 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1wsf s LEU 146 CO 0.00 -0.40 0.02 -1.61 0.23 0.00 0.00 176.35 174.59 1wsf s GLU 147 N -3.78 3.31 -0.92 1.70 2.02 -1.26 -0.80 118.70 118.97 1wsf s GLU 147 Ca 0.28 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.70 1wsf s GLU 147 Cb 0.04 -2.92 0.15 0.00 0.10 0.00 0.00 34.13 31.50 1wsf s GLU 147 CO 0.09 0.56 1.07 0.34 0.02 0.00 0.00 175.26 177.35 1wsf s ASP 148 N -0.47 6.66 0.56 -0.19 3.68 -1.26 -4.85 116.67 120.79 1wsf s ASP 148 Ca 0.09 -2.16 0.29 0.00 2.13 0.00 0.00 52.55 52.89 1wsf s ASP 148 Cb -0.12 -2.37 1.65 0.00 -1.45 0.00 0.00 42.92 40.64 1wsf s ASP 148 CO 0.02 -0.98 2.17 0.74 0.13 0.00 0.00 175.17 177.25 1wsf h THR 149 N 5.65 0.53 -0.05 1.71 2.02 -1.96 -2.59 112.91 118.22 1wsf h THR 149 Ca 0.15 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1wsf h THR 149 Cb 1.02 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1wsf h THR 149 CO 1.05 0.06 0.00 0.61 0.37 0.00 0.00 175.52 177.61 1wsf n GLY 150 N -1.00 -0.21 3.64 2.16 0.00 -1.26 -4.84 105.19 103.68 1wsf n GLY 150 Ca -0.02 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1wsf n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsf s TYR 151 N -1.94 3.32 -0.59 1.61 6.14 -0.98 -4.96 117.35 119.95 1wsf s TYR 151 Ca 0.37 0.81 -0.26 0.00 0.64 0.00 0.00 57.07 58.63 1wsf s TYR 151 Cb 0.19 -2.78 0.04 0.00 0.42 0.00 0.00 41.96 39.83 1wsf s TYR 151 CO 0.31 -0.24 1.10 -0.65 0.64 0.00 0.00 175.55 176.72 1wsf s GLN 152 N 2.15 3.40 -0.15 4.97 1.11 -1.26 -4.96 119.66 124.91 1wsf s GLN 152 Ca 0.26 -0.03 -0.36 0.00 0.01 0.00 0.00 55.36 55.24 1wsf s GLN 152 Cb -0.16 -4.05 -0.13 0.00 -1.01 0.00 0.00 33.01 27.66 1wsf s GLN 152 CO 0.09 -1.67 1.87 0.28 0.01 0.00 0.00 175.29 175.87 1wsf n VAL 153 N 6.44 0.50 1.04 1.09 0.31 -1.26 -4.84 118.33 121.61 1wsf n VAL 153 Ca 0.05 -0.10 0.11 0.00 -0.01 0.00 0.00 64.34 64.39 1wsf n VAL 153 Cb 0.48 -1.71 0.07 0.00 -0.91 0.00 0.00 33.84 31.78 1wsf n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wsf n GLU 154 N 6.44 0.49 0.00 5.55 1.02 -1.26 -5.21 120.64 127.66 1wsf n GLU 154 Ca 0.24 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1wsf n GLU 154 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1wsf n GLU 154 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64