#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsg s LEU 2 N 0.00 4.26 0.74 -0.89 2.34 -1.26 -4.97 118.68 118.90 1wsg s LEU 2 Ca 0.00 2.85 -0.14 0.00 0.06 0.00 0.00 54.13 56.90 1wsg s LEU 2 Cb 0.00 -3.79 0.05 0.00 -0.56 0.00 0.00 46.19 41.88 1wsg s LEU 2 CO 0.00 -0.89 1.16 -0.54 -1.06 0.00 0.00 176.35 175.02 1wsg s LYS 3 N -2.17 2.17 0.18 1.48 1.02 -1.26 -4.61 119.74 116.55 1wsg s LYS 3 Ca 0.55 1.57 -0.19 0.00 0.02 0.00 0.00 55.97 57.93 1wsg s LYS 3 Cb -0.42 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.95 1wsg s LYS 3 CO 0.56 -1.77 0.66 -1.14 -0.92 0.00 0.00 175.35 172.74 1wsg s GLN 4 N -4.16 4.19 -0.15 1.68 2.00 -1.26 -0.85 119.66 121.11 1wsg s GLN 4 Ca 0.70 0.77 -0.13 0.00 -2.00 0.00 0.00 55.36 54.70 1wsg s GLN 4 Cb -0.25 -2.96 0.04 0.00 0.80 0.00 0.00 33.01 30.65 1wsg s GLN 4 CO 0.47 0.46 0.39 0.08 -0.50 0.00 0.00 175.29 176.19 1wsg s VAL 5 N -1.43 -0.01 -0.14 1.34 1.01 -0.00 -4.90 120.40 116.27 1wsg s VAL 5 Ca 0.39 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1wsg s VAL 5 Cb -0.17 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1wsg s VAL 5 CO 0.21 0.01 -0.16 -1.61 0.00 0.00 0.00 175.10 173.54 1wsg s GLU 6 N 0.48 3.23 -0.05 2.72 8.01 0.14 -2.04 118.70 131.20 1wsg s GLU 6 Ca -0.02 -0.76 0.05 0.00 0.01 0.00 0.00 54.97 54.25 1wsg s GLU 6 Cb -0.04 -2.57 -0.01 0.00 -4.31 0.00 0.00 34.13 27.20 1wsg s GLU 6 CO -0.02 0.10 -0.21 0.42 0.01 0.00 0.00 175.26 175.56 1wsg s ILE 7 N 0.60 1.72 -0.06 -1.63 1.01 -0.36 -0.75 121.20 121.73 1wsg s ILE 7 Ca -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1wsg s ILE 7 Cb -0.16 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 1wsg s ILE 7 CO 0.03 0.48 -0.20 -0.36 0.00 0.00 0.00 174.94 174.89 1wsg s PHE 8 N -0.05 2.02 0.18 3.97 0.08 -0.29 -1.32 117.98 122.56 1wsg s PHE 8 Ca -0.04 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.38 1wsg s PHE 8 Cb -0.13 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1wsg s PHE 8 CO 0.03 -0.22 0.07 0.95 -0.10 0.00 0.00 175.22 175.96 1wsg s THR 9 N 0.04 0.24 -0.27 0.64 -4.23 -0.98 -0.12 115.64 110.97 1wsg s THR 9 Ca -0.06 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 1wsg s THR 9 Cb -0.13 -2.27 0.17 0.00 1.34 0.00 0.00 72.50 71.61 1wsg s THR 9 CO 0.03 -0.27 1.27 -0.62 -0.54 0.00 0.00 174.62 174.50 1wsg s ASP 10 N -3.14 -0.18 0.18 3.99 3.68 -0.45 -4.61 116.67 116.15 1wsg s ASP 10 Ca 0.30 0.30 0.10 0.00 2.13 0.00 0.00 52.55 55.38 1wsg s ASP 10 Cb 0.07 0.28 -0.04 0.00 -1.45 0.00 0.00 42.92 41.78 1wsg s ASP 10 CO 0.07 -0.10 -0.15 -0.83 0.13 0.00 0.00 175.17 174.29 1wsg s GLY 11 N -0.32 1.72 -0.02 2.66 0.00 -1.26 -0.79 107.32 109.30 1wsg s GLY 11 Ca 0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.20 1wsg s GLY 11 CO -0.09 -1.54 0.11 -0.45 0.00 0.00 0.00 173.10 171.13 1wsg s SER 12 N -2.71 -0.04 -0.14 1.64 0.15 -0.47 -4.92 113.70 107.22 1wsg s SER 12 Ca 0.23 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 1wsg s SER 12 Cb -0.09 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1wsg s SER 12 CO 0.13 -0.18 0.34 0.00 1.20 0.00 0.00 173.24 174.72 1wsg n LEU 14 N 4.18 0.44 0.00 0.00 4.77 0.38 -4.85 117.00 121.92 1wsg n LEU 14 Ca -0.24 0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 1wsg n LEU 14 Cb 0.54 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wsg n LEU 14 CO 0.11 -0.30 0.09 0.61 -1.33 0.00 0.00 177.39 176.58 1wsg n GLY 15 N 0.60 2.26 2.86 -0.72 0.00 -1.26 -4.93 105.19 103.99 1wsg n GLY 15 Ca 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1wsg n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wsg s ASN 16 N -1.54 0.00 0.85 1.61 2.47 -1.26 -3.80 114.94 113.28 1wsg s ASN 16 Ca 0.06 -1.51 -0.12 0.00 0.42 0.00 0.00 52.86 51.71 1wsg s ASN 16 Cb -0.01 1.09 0.10 0.00 -1.45 0.00 0.00 41.25 40.98 1wsg s ASN 16 CO 0.04 -0.19 1.12 -2.16 -3.72 0.00 0.00 177.10 172.19 1wsg s PRO 17 N 1.34 1.65 0.00 0.43 0.04 -1.26 -5.11 135.00 132.09 1wsg s PRO 17 Ca 0.20 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1wsg s PRO 17 Cb -0.08 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wsg s PRO 17 CO -0.06 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1wsg n GLY 18 N -2.20 -0.69 3.77 0.56 0.00 -0.67 -4.92 105.19 101.02 1wsg n GLY 18 Ca 0.07 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1wsg n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wsg s PRO 19 N -2.00 4.10 0.27 1.61 0.02 -1.14 -0.71 135.00 137.14 1wsg s PRO 19 Ca 0.00 2.60 -0.14 0.00 0.02 0.00 0.00 61.00 63.48 1wsg s PRO 19 Cb 0.00 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1wsg s PRO 19 CO 0.00 -0.61 0.54 0.20 -0.33 0.00 0.00 177.00 176.80 1wsg s GLY 20 N 0.20 0.45 0.30 0.52 0.00 -0.15 -0.47 107.32 108.17 1wsg s GLY 20 Ca 0.58 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1wsg s GLY 20 CO 0.56 -0.52 0.58 -0.32 0.00 0.00 0.00 173.10 173.41 1wsg s GLY 21 N -3.01 0.61 0.15 0.20 0.00 -0.13 0.68 107.32 105.82 1wsg s GLY 21 Ca 0.20 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 44.09 1wsg s GLY 21 CO 0.09 -0.55 -0.15 -2.52 0.00 0.00 0.00 173.10 169.98 1wsg s TYR 22 N -3.42 1.55 -0.03 1.90 -0.85 -1.08 -1.36 117.35 114.06 1wsg s TYR 22 Ca 0.21 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 1wsg s TYR 22 Cb -0.02 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.56 1wsg s TYR 22 CO 0.12 0.23 -0.02 0.20 -1.52 0.00 0.00 175.55 174.55 1wsg s GLY 23 N -2.78 0.30 -0.09 5.49 0.00 0.03 -3.72 107.32 106.54 1wsg s GLY 23 Ca 0.14 0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 1wsg s GLY 23 CO 0.04 0.42 0.26 0.00 0.00 0.00 0.00 173.10 173.83 1wsg s ALA 24 N 0.80 -0.64 -0.06 3.20 0.00 -1.07 -1.34 121.76 122.65 1wsg s ALA 24 Ca -0.09 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.62 1wsg s ALA 24 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1wsg s ALA 24 CO -0.01 -0.13 -0.25 0.42 0.00 0.00 0.00 175.76 175.79 1wsg s ILE 25 N 0.03 2.03 -0.22 0.00 1.01 0.84 -1.76 121.20 123.12 1wsg s ILE 25 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1wsg s ILE 25 Cb -0.02 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.78 1wsg s ILE 25 CO 0.01 0.56 -0.10 -0.22 0.00 0.00 0.00 174.94 175.19 1wsg s LEU 26 N -0.10 2.59 -0.17 2.97 2.96 0.20 -1.14 118.68 126.00 1wsg s LEU 26 Ca -0.05 -1.06 -0.03 0.00 -0.22 0.00 0.00 54.13 52.77 1wsg s LEU 26 Cb -0.14 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1wsg s LEU 26 CO 0.04 -0.17 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.71 1wsg s ARG 27 N 1.33 3.51 -0.17 1.98 0.52 0.07 0.48 118.95 126.66 1wsg s ARG 27 Ca -0.04 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1wsg s ARG 27 Cb -0.18 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 1wsg s ARG 27 CO -0.07 0.11 -0.13 -2.00 0.02 0.00 0.00 175.30 173.23 1wsg s GLU 32 N 0.68 3.25 -0.19 3.54 2.12 -1.26 -0.68 118.70 126.15 1wsg s GLU 32 Ca -0.03 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.59 1wsg s GLU 32 Cb -0.15 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.55 1wsg s GLU 32 CO 0.02 -0.05 -0.14 0.15 -0.54 0.00 0.00 175.26 174.70 1wsg s LYS 33 N 1.01 2.41 0.09 4.30 1.02 0.18 -5.12 119.74 123.63 1wsg s LYS 33 Ca -0.01 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 1wsg s LYS 33 Cb -0.15 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1wsg s LYS 33 CO -0.02 -0.35 0.28 0.99 -0.92 0.00 0.00 175.35 175.33 1wsg s THR 34 N 1.33 5.29 -0.00 2.17 2.01 -1.26 -0.62 115.64 124.55 1wsg s THR 34 Ca 0.00 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1wsg s THR 34 Cb -0.15 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1wsg s THR 34 CO -0.10 0.11 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.54 1wsg s PHE 35 N -1.56 0.42 -0.16 4.92 0.08 -0.72 -5.02 117.98 115.94 1wsg s PHE 35 Ca 0.37 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 57.07 1wsg s PHE 35 Cb -0.13 -0.27 0.07 0.00 -0.57 0.00 0.00 43.02 42.12 1wsg s PHE 35 CO 0.26 -0.01 0.67 -1.12 -0.10 0.00 0.00 175.22 174.93 1wsg s SER 36 N -0.10 -0.68 -0.28 1.36 0.01 -1.26 -2.58 113.70 110.17 1wsg s SER 36 Ca 0.02 1.05 -0.24 0.00 1.31 0.00 0.00 55.95 58.08 1wsg s SER 36 Cb -0.02 0.98 0.10 0.00 0.21 0.00 0.00 66.02 67.29 1wsg s SER 36 CO -0.00 -0.42 0.90 0.00 0.41 0.00 0.00 173.24 174.13 1wsg s ALA 37 N -0.40 -1.90 -0.02 1.44 0.00 -1.24 -5.01 121.76 114.62 1wsg s ALA 37 Ca -0.05 1.96 0.03 0.00 0.00 0.00 0.00 51.96 53.89 1wsg s ALA 37 Cb -0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1wsg s ALA 37 CO 0.05 -0.28 -0.07 0.20 0.00 0.00 0.00 175.76 175.66 1wsg s GLY 38 N 0.36 1.73 -0.02 0.00 0.00 -1.26 -2.65 107.32 105.47 1wsg s GLY 38 Ca 0.01 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1wsg s GLY 38 CO -0.04 -0.82 -0.21 -0.19 0.00 0.00 0.00 173.10 171.85 1wsg s TYR 39 N -0.93 1.88 0.42 1.90 1.51 0.22 -1.71 117.35 120.63 1wsg s TYR 39 Ca 0.15 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1wsg s TYR 39 Cb -0.11 -1.22 0.89 0.00 -0.11 0.00 0.00 41.96 41.40 1wsg s TYR 39 CO 0.05 -0.07 2.02 1.79 -1.11 0.00 0.00 175.55 178.23 1wsg h THR 40 N 4.76 1.12 -1.70 -0.71 1.35 -1.64 -0.37 112.91 115.71 1wsg h THR 40 Ca -0.37 -0.39 -0.16 0.00 -0.55 0.00 0.00 66.41 64.94 1wsg h THR 40 Cb 1.15 0.84 -0.28 0.00 -1.73 0.00 0.00 68.15 68.13 1wsg h THR 40 CO 0.48 0.14 -0.50 -0.60 -0.25 0.00 0.00 175.52 174.79 1wsg s ARG 41 N -5.14 0.41 0.00 4.72 3.00 -1.26 -2.90 118.95 117.77 1wsg s ARG 41 Ca -0.07 0.30 0.00 0.00 -1.00 0.00 0.00 55.73 54.96 1wsg s ARG 41 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 34.95 34.82 1wsg s ARG 41 CO 0.72 -0.90 0.00 -2.37 0.00 0.00 0.00 175.30 172.75 1wsg n THR 42 N 5.36 0.00 -4.32 4.11 5.66 0.11 -4.44 114.28 120.76 1wsg n THR 42 Ca -0.01 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.82 1wsg n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1wsg n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsg s THR 43 N -2.36 1.48 0.33 1.09 -4.23 -1.26 -1.68 115.64 109.01 1wsg s THR 43 Ca 0.00 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1wsg s THR 43 Cb 0.00 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 71.98 1wsg s THR 43 CO 0.00 -0.58 1.92 0.78 -0.54 0.00 0.00 174.62 176.21 1wsg h ASN 44 N 2.58 0.67 -0.14 3.99 2.35 -1.88 -2.23 115.58 120.91 1wsg h ASN 44 Ca -0.38 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1wsg h ASN 44 Cb 1.21 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1wsg h ASN 44 CO 0.63 0.60 0.08 0.78 -1.65 0.00 0.00 177.43 177.87 1wsg h ASN 45 N 0.74 0.18 -0.33 5.81 -0.26 -1.98 -0.40 115.58 119.34 1wsg h ASN 45 Ca 0.18 -0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 1wsg h ASN 45 Cb 0.13 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1wsg h ASN 45 CO -0.02 0.23 -0.15 0.03 -1.06 0.00 0.00 177.43 176.46 1wsg h ARG 46 N 0.13 0.78 0.00 0.81 3.08 -1.94 -1.55 114.38 115.69 1wsg h ARG 46 Ca 0.05 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1wsg h ARG 46 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1wsg h ARG 46 CO -0.01 0.88 -0.46 0.52 -1.07 0.00 0.00 179.97 179.83 1wsg h MET 47 N 0.70 0.00 -0.28 0.04 2.86 -1.24 0.17 114.93 117.17 1wsg h MET 47 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1wsg h MET 47 Cb 0.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1wsg h MET 47 CO 0.04 0.46 -0.11 0.00 1.06 0.00 0.00 176.91 178.37 1wsg h ALA 48 N 1.54 0.39 -0.13 6.32 0.00 -0.65 -1.59 119.26 125.15 1wsg h ALA 48 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1wsg h ALA 48 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wsg h ALA 48 CO 0.06 0.25 0.03 -0.07 0.00 0.00 0.00 179.25 179.52 1wsg h LEU 49 N 0.32 0.19 -0.72 0.00 3.38 -0.98 -3.11 115.31 114.39 1wsg h LEU 49 Ca 0.07 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1wsg h LEU 49 Cb 0.61 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1wsg h LEU 49 CO 0.04 0.36 0.37 -0.03 0.09 0.00 0.00 178.44 179.27 1wsg h MET 50 N 0.01 0.61 -0.30 1.13 4.05 -0.61 0.20 114.93 120.02 1wsg h MET 50 Ca 0.04 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 1wsg h MET 50 Cb 0.24 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 1wsg h MET 50 CO -0.00 0.40 0.00 0.00 0.23 0.00 0.00 176.91 177.54 1wsg h ALA 51 N 1.43 0.27 -0.22 0.39 0.00 -1.22 0.22 119.26 120.12 1wsg h ALA 51 Ca 0.35 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.16 1wsg h ALA 51 Cb 0.36 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wsg h ALA 51 CO -0.26 -0.41 -0.57 0.00 0.00 0.00 0.00 179.25 178.01 1wsg h ALA 52 N 1.26 0.37 -0.04 0.00 0.00 -1.42 -2.82 119.26 116.61 1wsg h ALA 52 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1wsg h ALA 52 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wsg h ALA 52 CO -0.25 0.60 -0.07 0.82 0.00 0.00 0.00 179.25 180.36 1wsg h ILE 53 N 0.52 0.82 -0.29 0.00 2.04 -0.15 -0.31 117.51 120.14 1wsg h ILE 53 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1wsg h ILE 53 Cb 1.19 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1wsg h ILE 53 CO 0.12 0.00 0.19 0.58 0.00 0.00 0.00 178.15 179.04 1wsg h VAL 54 N -0.10 1.07 0.18 1.67 2.07 -0.65 0.13 116.25 120.62 1wsg h VAL 54 Ca 0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1wsg h VAL 54 Cb 0.15 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1wsg h VAL 54 CO -0.10 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.47 1wsg h ALA 55 N 1.11 -0.25 -0.56 1.67 0.00 -1.29 -2.69 119.26 117.25 1wsg h ALA 55 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wsg h ALA 55 Cb -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wsg h ALA 55 CO -0.02 -0.63 0.31 -0.07 0.00 0.00 0.00 179.25 178.83 1wsg h LEU 56 N -0.26 0.70 -1.33 0.00 3.38 -0.94 -2.08 115.31 114.79 1wsg h LEU 56 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wsg h LEU 56 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wsg h LEU 56 CO 0.04 0.59 0.00 -0.33 0.09 0.00 0.00 178.44 178.84 1wsg h GLU 57 N 0.76 0.00 0.00 1.13 5.08 -0.92 -1.85 114.58 118.77 1wsg h GLU 57 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wsg h GLU 57 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wsg h GLU 57 CO -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1wsg n ALA 58 N -1.85 2.53 -2.70 3.43 0.00 -0.78 -4.80 120.51 116.34 1wsg n ALA 58 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1wsg n ALA 58 Cb 0.15 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 1wsg n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsg s LEU 59 N -1.30 4.21 0.00 0.00 1.43 -0.70 -4.97 118.68 117.35 1wsg s LEU 59 Ca 0.14 0.57 0.15 0.00 -1.03 0.00 0.00 54.13 53.96 1wsg s LEU 59 Cb 0.06 -2.50 0.45 0.00 0.03 0.00 0.00 46.19 44.24 1wsg s LEU 59 CO 0.11 0.01 1.37 0.29 0.23 0.00 0.00 176.35 178.35 1wsg n LYS 60 N 3.97 1.96 -3.61 1.70 4.76 -1.26 -4.94 118.16 120.74 1wsg n LYS 60 Ca -0.09 -1.49 -0.04 0.00 -2.87 0.00 0.00 58.31 53.81 1wsg n LYS 60 Cb 0.51 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 1wsg n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wsg s GLU 61 N -1.50 0.76 0.07 1.97 4.04 -1.26 -5.12 118.70 117.66 1wsg s GLU 61 Ca 0.30 -0.36 -0.31 0.00 0.04 0.00 0.00 54.97 54.64 1wsg s GLU 61 Cb 0.16 0.30 -0.10 0.00 0.02 0.00 0.00 34.13 34.51 1wsg s GLU 61 CO 0.21 -0.34 1.89 0.72 -1.84 0.00 0.00 175.26 175.91 1wsg n HIS 62 N -0.33 2.55 -4.39 4.83 8.25 -1.26 -4.97 115.22 119.91 1wsg n HIS 62 Ca -0.06 -0.23 -0.19 0.00 -0.26 0.00 0.00 57.72 56.98 1wsg n HIS 62 Cb 0.61 -2.75 -0.10 0.00 1.12 0.00 0.00 29.99 28.86 1wsg n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wsg s GLU 64 N -3.83 3.58 -0.01 0.00 -1.05 -0.03 -1.53 118.70 115.83 1wsg s GLU 64 Ca 0.31 -0.52 0.06 0.00 -0.15 0.00 0.00 54.97 54.67 1wsg s GLU 64 Cb 0.06 -3.28 -0.02 0.00 -0.44 0.00 0.00 34.13 30.45 1wsg s GLU 64 CO 0.11 -0.21 -0.19 0.08 0.95 0.00 0.00 175.26 176.00 1wsg s VAL 65 N 1.59 1.54 -0.35 1.83 1.01 -0.33 -0.82 120.40 124.86 1wsg s VAL 65 Ca 0.06 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1wsg s VAL 65 Cb -0.15 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1wsg s VAL 65 CO 0.02 0.40 0.15 -0.51 0.00 0.00 0.00 175.10 175.16 1wsg s ILE 66 N -0.51 4.14 -0.27 2.22 2.07 -0.86 0.14 121.20 128.13 1wsg s ILE 66 Ca 0.07 -1.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.26 1wsg s ILE 66 Cb -0.08 -3.32 0.00 0.00 0.13 0.00 0.00 42.46 39.19 1wsg s ILE 66 CO -0.00 -0.20 0.03 -0.22 -1.91 0.00 0.00 174.94 172.64 1wsg s LEU 67 N 1.47 3.48 -0.06 8.50 0.20 -0.49 -1.22 118.68 130.56 1wsg s LEU 67 Ca 0.00 -0.59 -0.09 0.00 0.69 0.00 0.00 54.13 54.14 1wsg s LEU 67 Cb -0.19 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 1wsg s LEU 67 CO 0.05 -0.12 0.24 -0.44 -0.29 0.00 0.00 176.35 175.78 1wsg s SER 68 N 1.49 6.53 -0.27 3.68 0.01 -0.44 -0.56 113.70 124.14 1wsg s SER 68 Ca 0.03 0.62 -0.25 0.00 1.31 0.00 0.00 55.95 57.66 1wsg s SER 68 Cb -0.16 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 64.06 1wsg s SER 68 CO 0.00 0.35 0.96 0.28 0.41 0.00 0.00 173.24 175.24 1wsg s THR 69 N -1.11 0.00 -2.42 1.44 -1.32 -0.98 -2.31 115.64 108.93 1wsg s THR 69 Ca 0.20 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.91 1wsg s THR 69 Cb -0.14 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.28 1wsg s THR 69 CO 0.10 0.00 1.45 -0.90 -2.21 0.00 0.00 174.62 173.06 1wsg n ASP 70 N 2.19 2.72 -4.65 8.08 5.68 -1.25 -3.01 116.55 126.32 1wsg n ASP 70 Ca -0.13 -1.88 -0.43 0.00 -0.50 0.00 0.00 54.79 51.85 1wsg n ASP 70 Cb 0.56 -0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 1wsg n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1wsg s SER 71 N -1.54 6.65 0.33 -1.12 0.15 -1.26 -4.74 113.70 112.17 1wsg s SER 71 Ca 0.35 1.72 0.10 0.00 0.70 0.00 0.00 55.95 58.82 1wsg s SER 71 Cb 0.20 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.55 1wsg s SER 71 CO 0.29 -1.01 1.76 -0.61 1.20 0.00 0.00 173.24 174.87 1wsg h GLN 72 N 9.51 0.11 -0.08 5.44 -0.00 -1.97 -2.16 115.11 125.96 1wsg h GLN 72 Ca -0.32 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.28 1wsg h GLN 72 Cb 1.14 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.61 1wsg h GLN 72 CO 0.99 0.50 0.02 -0.92 0.00 0.00 0.00 178.83 179.42 1wsg h TYR 73 N 0.10 0.13 -0.62 3.99 3.20 -1.99 -1.12 116.97 120.66 1wsg h TYR 73 Ca 0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1wsg h TYR 73 Cb 0.75 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1wsg h TYR 73 CO 0.01 0.30 0.34 0.28 -1.64 0.00 0.00 178.16 177.45 1wsg h VAL 74 N -0.07 1.20 0.08 1.81 2.07 -1.90 -2.18 116.25 117.26 1wsg h VAL 74 Ca 0.03 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1wsg h VAL 74 Cb 0.24 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1wsg h VAL 74 CO -0.00 0.22 -0.25 -0.09 0.02 0.00 0.00 177.57 177.47 1wsg h ARG 75 N 0.85 -0.42 -0.89 1.57 2.43 -1.19 -1.00 114.38 115.72 1wsg h ARG 75 Ca 0.22 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1wsg h ARG 75 Cb 0.05 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1wsg h ARG 75 CO -0.03 -0.28 0.59 1.96 -1.51 0.00 0.00 179.97 180.69 1wsg h GLN 76 N -0.44 1.13 0.45 0.20 4.20 -1.06 -1.46 115.11 118.13 1wsg h GLN 76 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1wsg h GLN 76 Cb 0.48 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1wsg h GLN 76 CO -0.17 0.75 -0.22 0.78 -0.67 0.00 0.00 178.83 179.30 1wsg h GLY 77 N 1.16 -0.64 0.36 3.46 0.00 -0.97 -0.56 103.07 105.88 1wsg h GLY 77 Ca 0.34 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1wsg h GLY 77 CO -0.09 -0.23 -0.27 -2.22 0.00 0.00 0.00 176.54 173.73 1wsg h ILE 78 N -0.85 0.00 0.00 2.60 1.08 -1.10 0.14 117.51 119.38 1wsg h ILE 78 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1wsg h ILE 78 Cb 0.57 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1wsg h ILE 78 CO 0.10 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.91 1wsg n THR 79 N -3.97 0.28 0.11 -0.27 -2.24 -0.56 -4.55 114.28 103.07 1wsg n THR 79 Ca -0.07 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wsg n THR 79 Cb 0.26 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1wsg n THR 79 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wsg n GLN 80 N -1.20 0.00 -0.07 -0.78 7.27 -0.27 -5.03 117.38 117.30 1wsg n GLN 80 Ca 0.11 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.08 1wsg n GLN 80 Cb 0.13 -0.06 -0.08 0.00 2.41 0.00 0.00 30.24 32.64 1wsg n GLN 80 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 1wsg h TRP 81 N 0.00 0.00 -1.57 3.69 6.55 -0.90 -3.39 115.95 120.34 1wsg h TRP 81 Ca 0.00 0.00 0.45 0.00 0.95 0.00 0.00 58.89 60.29 1wsg h TRP 81 Cb 0.02 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.26 1wsg h TRP 81 CO 0.00 0.69 1.29 1.51 -1.05 0.00 0.00 178.44 180.87 1wsg n ILE 82 N -4.63 0.00 0.29 1.49 3.06 0.43 -0.88 119.36 119.12 1wsg n ILE 82 Ca -0.10 1.33 -0.14 0.00 -2.50 0.00 0.00 62.75 61.34 1wsg n ILE 82 Cb 0.35 -2.27 -0.07 0.00 0.54 0.00 0.00 39.64 38.18 1wsg n ILE 82 CO 0.00 0.00 0.00 -0.74 -2.50 0.00 0.00 176.55 173.31 1wsg h HIS 83 N 0.00 -0.71 -0.12 9.51 2.76 -1.80 -2.76 115.15 122.04 1wsg h HIS 83 Ca 0.74 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.93 1wsg h HIS 83 Cb 3.31 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 32.46 1wsg h HIS 83 CO 0.00 -0.38 -0.12 -0.91 -1.30 0.00 0.00 177.93 175.22 1wsg h ASN 84 N -1.07 -0.37 -0.72 3.26 2.35 -1.25 -2.66 115.58 115.11 1wsg h ASN 84 Ca -0.08 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 55.88 1wsg h ASN 84 Cb 0.65 0.18 -0.09 0.00 0.05 0.00 0.00 38.32 39.11 1wsg h ASN 84 CO 0.13 -0.16 0.26 -0.50 -1.65 0.00 0.00 177.43 175.51 1wsg h TRP 85 N -0.14 0.44 -0.03 1.19 6.55 -1.58 -0.42 115.95 121.96 1wsg h TRP 85 Ca 0.08 0.04 0.02 0.00 0.95 0.00 0.00 58.89 59.98 1wsg h TRP 85 Cb 0.27 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.46 1wsg h TRP 85 CO -0.24 0.04 -0.10 0.87 -1.05 0.00 0.00 178.44 177.96 1wsg h LYS 86 N 0.40 -0.15 -0.00 0.49 1.57 -1.16 0.21 116.57 117.92 1wsg h LYS 86 Ca 0.40 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1wsg h LYS 86 Cb 0.60 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1wsg h LYS 86 CO -0.41 -0.10 -0.01 0.00 -0.57 0.00 0.00 179.45 178.36 1wsg n ALA 87 N -2.37 2.66 -0.60 3.86 0.00 -1.00 -3.68 120.51 119.38 1wsg n ALA 87 Ca -0.05 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.18 1wsg n ALA 87 Cb 0.15 -1.41 0.14 0.00 0.00 0.00 0.00 19.45 18.34 1wsg n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wsg n ARG 88 N -0.68 2.48 -2.46 0.00 0.63 -0.20 -4.96 116.66 111.46 1wsg n ARG 88 Ca 0.22 -2.28 -0.20 0.00 -0.92 0.00 0.00 57.85 54.67 1wsg n ARG 88 Cb 0.19 -1.43 -0.00 0.00 0.45 0.00 0.00 32.46 31.68 1wsg n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wsg n GLY 89 N -0.54 -0.44 3.01 5.14 0.00 -1.03 -3.57 105.19 107.75 1wsg n GLY 89 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1wsg n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsg n TRP 90 N -4.08 -3.19 -3.99 1.61 7.02 0.68 -4.97 117.44 110.52 1wsg n TRP 90 Ca -0.21 1.26 -0.19 0.00 -1.02 0.00 0.00 57.50 57.33 1wsg n TRP 90 Cb 0.67 -3.96 -0.17 0.00 -2.42 0.00 0.00 31.31 25.44 1wsg n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsg s LYS 91 N -2.86 0.55 0.10 -0.99 3.01 -1.23 -4.06 119.74 114.25 1wsg s LYS 91 Ca 0.14 0.02 -0.02 0.00 -1.01 0.00 0.00 55.97 55.10 1wsg s LYS 91 Cb -0.04 -0.71 0.03 0.00 -1.01 0.00 0.00 37.83 36.10 1wsg s LYS 91 CO 0.77 -0.15 0.08 0.25 0.51 0.00 0.00 175.35 176.81 1wsg n THR 92 N 4.30 0.00 0.29 2.17 -2.24 -0.97 -4.71 114.28 113.12 1wsg n THR 92 Ca -0.22 -0.03 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1wsg n THR 92 Cb 0.50 -0.73 0.75 0.00 -2.10 0.00 0.00 70.33 68.76 1wsg n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsg h ALA 93 N -2.08 1.00 -0.59 6.98 0.00 -1.97 -2.14 119.26 120.46 1wsg h ALA 93 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 1wsg h ALA 93 Cb 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.50 1wsg h ALA 93 CO 0.02 0.00 -0.87 -0.25 0.00 0.00 0.00 179.25 178.15 1wsg n ASP 94 N -2.64 3.77 -1.06 0.00 8.00 -1.26 -5.11 116.55 118.26 1wsg n ASP 94 Ca -0.01 -3.31 0.11 0.00 0.71 0.00 0.00 54.79 52.30 1wsg n ASP 94 Cb 0.14 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1wsg n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wsg n LYS 95 N -0.68 -1.69 -0.38 -1.24 4.76 -0.81 -5.04 118.16 113.08 1wsg n LYS 95 Ca 0.32 1.12 0.02 0.00 -2.87 0.00 0.00 58.31 56.90 1wsg n LYS 95 Cb 0.91 -2.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1wsg n LYS 95 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wsg n LYS 96 N -2.97 -0.94 -0.91 1.97 5.02 -1.26 -3.73 118.16 115.35 1wsg n LYS 96 Ca 0.01 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 1wsg n LYS 96 Cb 0.38 -1.00 0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1wsg n LYS 96 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1wsg n PRO 97 N -2.21 0.00 -5.03 1.97 -0.02 -1.26 -2.29 135.00 126.15 1wsg n PRO 97 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 1wsg n PRO 97 Cb 0.15 -0.91 -0.16 0.00 -0.02 0.00 0.00 33.50 32.57 1wsg n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsg s VAL 98 N -1.81 1.67 0.05 -1.45 -7.23 -1.26 -4.32 120.40 106.04 1wsg s VAL 98 Ca 0.34 -0.90 -0.37 0.00 -1.81 0.00 0.00 61.98 59.24 1wsg s VAL 98 Cb 0.02 -1.39 -0.17 0.00 0.56 0.00 0.00 36.38 35.40 1wsg s VAL 98 CO 0.65 0.47 1.32 1.17 -0.31 0.00 0.00 175.10 178.40 1wsg n LYS 99 N 2.63 0.96 -2.65 4.82 0.00 -1.26 -1.91 118.16 120.76 1wsg n LYS 99 Ca -0.16 0.35 -0.20 0.00 0.00 0.00 0.00 58.31 58.30 1wsg n LYS 99 Cb 0.53 -1.97 0.01 0.00 0.00 0.00 0.00 35.03 33.60 1wsg n LYS 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1wsg n ASN 100 N 2.53 -5.63 -0.29 3.14 3.02 -1.26 -4.88 115.26 111.89 1wsg n ASN 100 Ca 0.19 -0.14 0.08 0.00 -0.03 0.00 0.00 54.58 54.69 1wsg n ASN 100 Cb 0.17 -4.57 0.31 0.00 -0.61 0.00 0.00 39.78 35.09 1wsg n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsg h VAL 101 N -0.63 0.93 -0.79 2.41 3.04 -1.78 0.20 116.25 119.63 1wsg h VAL 101 Ca -0.47 -0.29 0.11 0.00 -1.01 0.00 0.00 66.70 65.04 1wsg h VAL 101 Cb 1.34 0.01 -0.08 0.00 -2.01 0.00 0.00 31.29 30.54 1wsg h VAL 101 CO 0.53 0.15 0.41 -2.24 -1.01 0.00 0.00 177.57 175.41 1wsg h ASP 102 N 0.84 0.53 0.13 3.17 2.03 -1.90 0.53 116.42 121.75 1wsg h ASP 102 Ca 0.43 0.07 -0.25 0.00 -0.73 0.00 0.00 57.03 56.55 1wsg h ASP 102 Cb 0.50 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1wsg h ASP 102 CO -0.20 0.28 -1.22 -0.07 -1.03 0.00 0.00 179.24 177.00 1wsg h LEU 103 N 0.66 0.42 -0.21 0.15 3.38 -1.63 -2.71 115.31 115.37 1wsg h LEU 103 Ca 0.40 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wsg h LEU 103 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1wsg h LEU 103 CO -0.30 1.55 0.13 -0.50 0.09 0.00 0.00 178.44 179.41 1wsg h TRP 104 N -0.32 0.27 -0.58 1.13 -0.00 -0.42 0.68 115.95 116.70 1wsg h TRP 104 Ca -0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.60 1wsg h TRP 104 Cb 1.73 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 30.77 1wsg h TRP 104 CO 0.15 0.19 0.20 0.37 -0.00 0.00 0.00 178.44 179.35 1wsg h GLN 105 N 0.27 0.89 -0.67 0.49 4.15 -0.09 0.74 115.11 120.89 1wsg h GLN 105 Ca 0.08 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1wsg h GLN 105 Cb -0.01 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1wsg h GLN 105 CO -0.02 0.79 0.34 -0.09 -1.93 0.00 0.00 178.83 177.93 1wsg h ARG 106 N 0.81 0.96 -0.13 1.69 2.43 -1.09 -1.49 114.38 117.56 1wsg h ARG 106 Ca 0.19 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1wsg h ARG 106 Cb 0.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1wsg h ARG 106 CO -0.01 0.74 -0.32 1.25 -1.51 0.00 0.00 179.97 180.12 1wsg h LEU 107 N 0.93 0.51 -1.04 3.80 5.85 0.65 -2.65 115.31 123.34 1wsg h LEU 107 Ca 0.23 -0.58 0.28 0.00 0.84 0.00 0.00 57.88 58.65 1wsg h LEU 107 Cb 0.09 -0.15 -0.13 0.00 0.37 0.00 0.00 40.66 40.84 1wsg h LEU 107 CO -0.03 0.99 0.60 -0.78 -0.34 0.00 0.00 178.44 178.88 1wsg h ASP 108 N 0.04 0.60 0.17 1.25 -0.00 0.79 0.60 116.42 119.88 1wsg h ASP 108 Ca -0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 57.17 1wsg h ASP 108 Cb 0.92 0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.32 1wsg h ASP 108 CO 0.07 0.02 -0.08 0.00 -0.00 0.00 0.00 179.24 179.25 1wsg h ALA 109 N 1.76 -0.23 0.00 -0.78 0.00 -1.19 -2.98 119.26 115.83 1wsg h ALA 109 Ca 0.67 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1wsg h ALA 109 Cb 1.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1wsg h ALA 109 CO -0.50 -0.33 0.05 0.00 0.00 0.00 0.00 179.25 178.46 1wsg h ALA 110 N -0.26 1.04 0.06 0.00 0.00 -0.90 -2.21 119.26 116.99 1wsg h ALA 110 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wsg h ALA 110 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wsg h ALA 110 CO 0.04 -0.04 -0.03 -0.07 0.00 0.00 0.00 179.25 179.15 1wsg h LEU 111 N 0.00 -0.07 0.00 0.00 3.38 -0.90 -3.17 115.31 114.55 1wsg h LEU 111 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wsg h LEU 111 Cb 0.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wsg h LEU 111 CO 0.00 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1wsg n GLY 112 N 1.28 0.00 0.09 0.83 0.00 -0.84 -0.52 105.19 106.02 1wsg n GLY 112 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1wsg n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wsg n GLN 113 N -0.89 0.49 -4.12 1.61 1.13 -1.15 -4.99 117.38 109.47 1wsg n GLN 113 Ca 0.00 0.09 -0.14 0.00 -1.94 0.00 0.00 57.00 55.01 1wsg n GLN 113 Cb 0.00 -1.75 -0.06 0.00 0.11 0.00 0.00 30.24 28.54 1wsg n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1wsg s HIS 114 N -3.30 1.02 -0.64 1.08 3.76 0.32 -4.37 115.29 113.16 1wsg s HIS 114 Ca 0.01 -1.24 -0.18 0.00 -0.15 0.00 0.00 55.06 53.51 1wsg s HIS 114 Cb 0.11 -0.20 0.12 0.00 1.11 0.00 0.00 32.58 33.72 1wsg s HIS 114 CO 0.78 -0.97 0.72 -0.65 -0.85 0.00 0.00 174.74 173.77 1wsg s GLN 115 N -3.54 3.14 -0.22 1.40 -1.52 -0.58 -4.93 119.66 113.41 1wsg s GLN 115 Ca 0.32 -1.51 -0.15 0.00 -1.95 0.00 0.00 55.36 52.07 1wsg s GLN 115 Cb 0.01 -4.34 -0.04 0.00 -0.22 0.00 0.00 33.01 28.43 1wsg s GLN 115 CO 0.17 -1.52 0.36 0.42 -0.25 0.00 0.00 175.29 174.47 1wsg s ILE 116 N 2.32 5.22 -0.40 1.08 -1.09 -1.26 -1.19 121.20 125.87 1wsg s ILE 116 Ca 0.13 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 59.08 1wsg s ILE 116 Cb -0.22 -3.69 0.08 0.00 -1.58 0.00 0.00 42.46 37.06 1wsg s ILE 116 CO 0.03 0.25 0.22 -0.75 -1.23 0.00 0.00 174.94 173.46 1wsg s LYS 117 N 1.42 2.45 0.26 2.79 2.20 0.37 -4.96 119.74 124.28 1wsg s LYS 117 Ca 0.17 -1.52 -0.29 0.00 -0.36 0.00 0.00 55.97 53.96 1wsg s LYS 117 Cb -0.15 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.41 1wsg s LYS 117 CO 0.08 -0.95 0.99 -1.58 -0.36 0.00 0.00 175.35 173.52 1wsg s TRP 118 N 1.34 3.84 -0.30 4.03 0.52 -1.26 -1.40 118.94 125.71 1wsg s TRP 118 Ca 0.03 1.84 0.03 0.00 0.02 0.00 0.00 56.10 58.02 1wsg s TRP 118 Cb -0.23 -3.06 0.08 0.00 -1.15 0.00 0.00 33.47 29.11 1wsg s TRP 118 CO 0.00 0.15 -0.02 -2.00 0.02 0.00 0.00 176.95 175.10 1wsg s GLU 119 N -1.35 1.94 -1.09 4.98 2.12 0.28 -4.89 118.70 120.69 1wsg s GLU 119 Ca 0.43 -1.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.03 1wsg s GLU 119 Cb -0.27 -3.07 0.15 0.00 0.26 0.00 0.00 34.13 31.20 1wsg s GLU 119 CO 0.34 -0.75 1.30 -1.58 -0.54 0.00 0.00 175.26 174.03 1wsg s TRP 120 N 1.03 3.35 0.04 5.30 0.52 -1.26 -2.31 118.94 125.60 1wsg s TRP 120 Ca 0.00 -1.83 -0.30 0.00 0.02 0.00 0.00 56.10 53.99 1wsg s TRP 120 Cb -0.20 -4.30 -0.04 0.00 -1.15 0.00 0.00 33.47 27.79 1wsg s TRP 120 CO -0.06 -1.43 0.98 0.14 0.02 0.00 0.00 176.95 176.60 1wsg s VAL 121 N 2.01 4.73 0.58 4.03 -7.23 -1.16 -4.99 120.40 118.37 1wsg s VAL 121 Ca 0.38 2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 62.51 1wsg s VAL 121 Cb -0.04 -4.31 0.14 0.00 0.56 0.00 0.00 36.38 32.73 1wsg s VAL 121 CO -0.04 0.21 0.32 1.17 -0.31 0.00 0.00 175.10 176.45 1wsg n LYS 122 N 3.54 -2.40 -0.37 4.82 4.81 -1.26 -3.76 118.16 123.54 1wsg n LYS 122 Ca 0.05 -0.54 -0.06 0.00 -0.87 0.00 0.00 58.31 56.89 1wsg n LYS 122 Cb 0.50 -0.77 -0.04 0.00 0.02 0.00 0.00 35.03 34.74 1wsg n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wsg n GLY 123 N -1.91 -2.14 0.80 3.14 0.00 -1.26 -2.50 105.19 101.31 1wsg n GLY 123 Ca 0.05 1.04 0.06 0.00 0.00 0.00 0.00 46.02 47.17 1wsg n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wsg n HIS 124 N -5.20 0.00 -0.12 1.61 -0.00 -1.26 -4.74 115.22 105.50 1wsg n HIS 124 Ca 0.05 -1.14 -0.03 0.00 -0.00 0.00 0.00 57.72 56.60 1wsg n HIS 124 Cb 0.28 -0.21 0.17 0.00 -0.00 0.00 0.00 29.99 30.24 1wsg n HIS 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wsg n ALA 125 N -0.67 3.66 -2.00 1.57 0.00 -1.04 -4.66 120.51 117.38 1wsg n ALA 125 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1wsg n ALA 125 Cb 0.81 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1wsg n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsg n GLY 126 N 0.04 1.07 1.15 0.00 0.00 -1.26 -4.55 105.19 101.63 1wsg n GLY 126 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 1wsg n GLY 126 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wsg n HIS 127 N 0.00 -1.86 0.12 1.61 1.44 -1.26 -4.92 115.22 110.34 1wsg n HIS 127 Ca 0.00 1.02 -0.21 0.00 -2.01 0.00 0.00 57.72 56.51 1wsg n HIS 127 Cb 0.00 -1.61 -0.14 0.00 0.12 0.00 0.00 29.99 28.36 1wsg n HIS 127 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1wsg h PRO 128 N -0.39 0.49 -0.89 -1.40 0.11 -2.00 -3.44 132.00 124.49 1wsg h PRO 128 Ca -0.03 -0.76 0.24 0.00 0.11 0.00 0.00 66.00 65.55 1wsg h PRO 128 Cb 0.50 0.27 -0.15 0.00 0.11 0.00 0.00 31.00 31.73 1wsg h PRO 128 CO 0.01 1.35 0.16 0.93 -0.21 0.00 0.00 178.00 180.24 1wsg h GLU 129 N 0.17 0.13 0.70 1.05 3.07 -1.97 0.31 114.58 118.04 1wsg h GLU 129 Ca -0.20 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 1wsg h GLU 129 Cb 2.02 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 29.91 1wsg h GLU 129 CO 0.24 0.08 -0.34 -0.91 -1.40 0.00 0.00 179.01 176.69 1wsg h ASN 130 N 0.13 -0.80 -0.54 1.42 -0.26 -1.88 0.31 115.58 113.96 1wsg h ASN 130 Ca 0.55 -0.00 0.11 0.00 -0.56 0.00 0.00 56.30 56.40 1wsg h ASN 130 Cb 1.12 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.56 1wsg h ASN 130 CO -0.73 -0.47 0.37 -0.08 -1.06 0.00 0.00 177.43 175.46 1wsg h GLU 131 N -1.11 0.26 -0.38 0.81 4.57 -1.77 0.14 114.58 117.11 1wsg h GLU 131 Ca -0.10 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 1wsg h GLU 131 Cb 0.75 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1wsg h GLU 131 CO 0.16 0.18 0.08 -0.09 -1.18 0.00 0.00 179.01 178.15 1wsg h ARG 132 N 0.27 0.61 -0.92 1.92 2.43 -0.02 -2.64 114.38 116.03 1wsg h ARG 132 Ca 0.25 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1wsg h ARG 132 Cb 0.63 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1wsg h ARG 132 CO -0.05 0.66 0.59 0.00 -1.51 0.00 0.00 179.97 179.65 1wsg h ASN 134 N 1.26 0.01 -0.27 0.00 -1.24 -0.87 0.26 115.58 114.72 1wsg h ASN 134 Ca 0.33 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.16 1wsg h ASN 134 Cb -0.11 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.94 1wsg h ASN 134 CO -0.07 0.00 -0.56 -0.33 -1.29 0.00 0.00 177.43 175.18 1wsg h GLU 135 N 0.01 0.85 -0.33 6.67 5.08 -0.79 0.47 114.58 126.54 1wsg h GLU 135 Ca 0.12 -0.56 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1wsg h GLU 135 Cb 0.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1wsg h GLU 135 CO -0.00 1.19 -0.00 -0.07 -1.00 0.00 0.00 179.01 179.13 1wsg h LEU 136 N 0.63 0.56 0.52 1.33 3.38 -0.56 -0.26 115.31 120.92 1wsg h LEU 136 Ca 0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1wsg h LEU 136 Cb 1.18 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1wsg h LEU 136 CO 0.12 0.73 -0.30 0.00 0.09 0.00 0.00 178.44 179.09 1wsg h ALA 137 N 0.85 -0.78 -0.75 1.53 0.00 -0.51 -0.56 119.26 119.04 1wsg h ALA 137 Ca 0.09 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1wsg h ALA 137 Cb 0.45 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1wsg h ALA 137 CO 0.02 -0.95 0.42 0.00 0.00 0.00 0.00 179.25 178.74 1wsg h ARG 138 N -0.77 0.72 -0.46 0.00 3.08 -0.88 0.85 114.38 116.91 1wsg h ARG 138 Ca -0.06 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1wsg h ARG 138 Cb 0.62 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1wsg h ARG 138 CO 0.08 0.48 0.22 0.00 -1.07 0.00 0.00 179.97 179.67 1wsg h ALA 139 N 1.40 0.58 -0.65 0.04 0.00 -0.82 -0.62 119.26 119.21 1wsg h ALA 139 Ca 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wsg h ALA 139 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1wsg h ALA 139 CO -0.22 -0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.16 1wsg h ALA 140 N 1.26 0.84 -0.61 0.00 0.00 0.12 -2.46 119.26 118.42 1wsg h ALA 140 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wsg h ALA 140 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1wsg h ALA 140 CO -0.16 0.44 0.35 0.00 0.00 0.00 0.00 179.25 179.88 1wsg h ALA 141 N 1.11 1.47 -0.01 0.00 0.00 -0.16 -1.45 119.26 120.22 1wsg h ALA 141 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wsg h ALA 141 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wsg h ALA 141 CO -0.02 0.45 0.00 -1.33 0.00 0.00 0.00 179.25 178.35 1wsg n MET 142 N -4.40 1.05 -2.77 0.00 2.81 -0.31 -3.75 117.12 109.76 1wsg n MET 142 Ca 0.06 -0.07 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 1wsg n MET 142 Cb 0.09 -1.27 0.07 0.00 -0.71 0.00 0.00 33.22 31.40 1wsg n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsg n ASN 143 N -0.69 -1.02 -4.76 7.83 4.05 -0.60 -5.08 115.26 115.00 1wsg n ASN 143 Ca 0.13 -2.95 -0.42 0.00 0.45 0.00 0.00 54.58 51.79 1wsg n ASN 143 Cb 0.07 0.76 -0.01 0.00 1.23 0.00 0.00 39.78 41.84 1wsg n ASN 143 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1wsg n PRO 144 N -0.09 2.66 0.00 1.20 -0.04 -0.86 -4.64 135.00 133.24 1wsg n PRO 144 Ca 0.06 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1wsg n PRO 144 Cb 0.77 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1wsg n PRO 144 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wsg n THR 145 N 1.33 0.00 -4.17 0.52 -2.24 -0.70 -4.85 114.28 104.17 1wsg n THR 145 Ca 0.05 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1wsg n THR 145 Cb 0.38 1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 1wsg n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsg s LEU 146 N -0.25 2.19 -0.20 3.22 1.43 -0.86 -5.03 118.68 119.18 1wsg s LEU 146 Ca 0.00 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 51.91 1wsg s LEU 146 Cb 0.00 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 1wsg s LEU 146 CO 0.00 -0.59 0.09 -0.70 0.23 0.00 0.00 176.35 175.38 1wsg s GLU 147 N -3.93 3.99 -1.31 1.70 2.12 -1.26 -1.82 118.70 118.19 1wsg s GLU 147 Ca 0.18 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 1wsg s GLU 147 Cb 0.07 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1wsg s GLU 147 CO -0.01 0.18 2.02 -3.47 -0.54 0.00 0.00 175.26 173.44 1wsg n ASP 148 N 3.84 4.00 -0.16 -1.70 4.64 -1.26 -4.73 116.55 121.18 1wsg n ASP 148 Ca -0.16 -2.84 0.29 0.00 -1.38 0.00 0.00 54.79 50.70 1wsg n ASP 148 Cb 0.52 -1.63 0.72 0.00 -1.04 0.00 0.00 41.12 39.69 1wsg n ASP 148 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wsg h THR 149 N 4.70 0.42 0.00 5.18 1.03 -1.94 0.87 112.91 123.17 1wsg h THR 149 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.89 1wsg h THR 149 Cb 0.74 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1wsg h THR 149 CO 1.72 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.84 1wsg n GLY 150 N -1.68 -1.16 3.71 2.99 0.00 -1.26 -4.81 105.19 102.97 1wsg n GLY 150 Ca 0.18 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1wsg n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsg s TYR 151 N -2.63 3.63 -0.45 1.61 6.04 0.30 -4.93 117.35 120.91 1wsg s TYR 151 Ca 0.22 1.66 -0.19 0.00 0.04 0.00 0.00 57.07 58.80 1wsg s TYR 151 Cb 0.17 -3.12 0.04 0.00 -1.04 0.00 0.00 41.96 38.01 1wsg s TYR 151 CO 0.40 -0.04 0.56 -0.65 -1.54 0.00 0.00 175.55 174.28 1wsg s GLN 152 N 1.17 3.15 -0.10 4.97 -0.21 -1.26 -5.01 119.66 122.38 1wsg s GLN 152 Ca 0.51 -0.70 -0.33 0.00 0.02 0.00 0.00 55.36 54.86 1wsg s GLN 152 Cb -0.20 -4.01 -0.10 0.00 1.00 0.00 0.00 33.01 29.70 1wsg s GLN 152 CO 0.26 -1.02 1.97 0.28 -2.12 0.00 0.00 175.29 174.66 1wsg n VAL 153 N 5.61 0.57 0.06 1.09 0.31 -1.26 -4.84 118.33 119.87 1wsg n VAL 153 Ca -0.05 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1wsg n VAL 153 Cb 0.47 -2.04 0.27 0.00 -0.91 0.00 0.00 33.84 31.63 1wsg n VAL 153 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1wsg n GLU 154 N 7.24 2.56 0.00 5.55 0.28 -1.26 -5.23 120.64 129.79 1wsg n GLU 154 Ca 0.24 -2.40 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 1wsg n GLU 154 Cb 0.33 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1wsg n GLU 154 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30