#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsg n LEU 2 N 0.00 -6.30 -4.64 -0.89 4.77 -1.26 -4.91 117.00 103.76 1wsg n LEU 2 Ca 0.00 3.17 -0.33 0.00 -0.03 0.00 0.00 56.01 58.81 1wsg n LEU 2 Cb 0.00 -3.20 0.13 0.00 -2.33 0.00 0.00 43.42 38.01 1wsg n LEU 2 CO 0.00 -2.15 0.61 0.29 -1.33 0.00 0.00 177.39 174.81 1wsg n LYS 3 N 1.90 0.05 -4.19 3.23 5.02 -1.26 -4.46 118.16 118.45 1wsg n LYS 3 Ca 0.00 0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 1wsg n LYS 3 Cb 0.00 -2.32 -0.10 0.00 -0.02 0.00 0.00 35.03 32.59 1wsg n LYS 3 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wsg s GLN 4 N -4.03 3.72 0.02 1.97 -0.21 -1.26 -0.21 119.66 119.66 1wsg s GLN 4 Ca 0.70 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 55.69 1wsg s GLN 4 Cb -0.28 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 1wsg s GLN 4 CO 0.54 0.34 -0.06 0.08 -2.12 0.00 0.00 175.29 174.07 1wsg s VAL 5 N 0.14 0.41 -0.11 1.09 1.01 -0.65 -4.58 120.40 117.71 1wsg s VAL 5 Ca 0.02 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1wsg s VAL 5 Cb -0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1wsg s VAL 5 CO 0.01 -0.22 -0.08 -1.61 0.00 0.00 0.00 175.10 173.21 1wsg s GLU 6 N -1.01 3.14 -0.07 2.72 8.01 -0.47 -2.25 118.70 128.77 1wsg s GLU 6 Ca -0.06 -0.58 0.02 0.00 0.01 0.00 0.00 54.97 54.35 1wsg s GLU 6 Cb -0.07 -2.68 0.01 0.00 -4.31 0.00 0.00 34.13 27.09 1wsg s GLU 6 CO 0.00 0.44 -0.13 0.42 0.01 0.00 0.00 175.26 175.99 1wsg s ILE 7 N -0.20 1.24 -0.06 -1.63 1.01 -0.59 -0.67 121.20 120.30 1wsg s ILE 7 Ca 0.02 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1wsg s ILE 7 Cb -0.13 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1wsg s ILE 7 CO 0.03 0.38 -0.25 -0.36 0.00 0.00 0.00 174.94 174.74 1wsg s PHE 8 N 0.72 2.45 0.05 3.97 0.08 -0.72 0.11 117.98 124.63 1wsg s PHE 8 Ca -0.13 -0.77 -0.01 0.00 0.12 0.00 0.00 56.93 56.13 1wsg s PHE 8 Cb -0.16 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1wsg s PHE 8 CO 0.03 -0.25 -0.02 0.95 -0.10 0.00 0.00 175.22 175.83 1wsg s THR 9 N -0.09 0.21 -0.17 0.64 -4.23 -0.33 -1.00 115.64 110.66 1wsg s THR 9 Ca -0.06 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.46 1wsg s THR 9 Cb -0.14 -1.39 0.12 0.00 1.34 0.00 0.00 72.50 72.42 1wsg s THR 9 CO 0.04 -0.94 0.95 -0.62 -0.54 0.00 0.00 174.62 173.52 1wsg s ASP 10 N -2.78 -0.43 0.10 3.99 -1.08 -0.52 -4.35 116.67 111.61 1wsg s ASP 10 Ca 0.05 0.57 0.07 0.00 -0.52 0.00 0.00 52.55 52.72 1wsg s ASP 10 Cb 0.06 0.48 -0.03 0.00 -1.46 0.00 0.00 42.92 41.97 1wsg s ASP 10 CO -0.09 -0.34 -0.18 -0.83 0.52 0.00 0.00 175.17 174.25 1wsg s GLY 11 N -0.80 1.14 -0.02 2.66 0.00 -1.26 -0.78 107.32 108.25 1wsg s GLY 11 Ca -0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 44.72 43.40 1wsg s GLY 11 CO 0.01 -1.24 0.18 -0.45 0.00 0.00 0.00 173.10 171.60 1wsg s SER 12 N -2.03 -0.07 -0.10 1.64 0.15 -0.23 -4.80 113.70 108.27 1wsg s SER 12 Ca 0.06 -0.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.61 1wsg s SER 12 Cb -0.09 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1wsg s SER 12 CO 0.04 -0.30 0.27 0.00 1.20 0.00 0.00 173.24 174.45 1wsg n LEU 14 N 2.98 0.21 0.00 0.00 4.77 0.10 -4.92 117.00 120.14 1wsg n LEU 14 Ca -0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1wsg n LEU 14 Cb 0.58 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1wsg n LEU 14 CO 0.17 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1wsg n GLY 15 N 1.45 3.95 2.76 -0.72 0.00 -1.26 -4.90 105.19 106.47 1wsg n GLY 15 Ca 0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 1.61 -1.30 0.70 1.61 2.47 -1.26 -4.26 114.94 114.52 1wsg s ASN 16 Ca 0.00 -1.52 -0.07 0.00 0.42 0.00 0.00 52.86 51.69 1wsg s ASN 16 Cb 0.00 1.70 0.06 0.00 -1.45 0.00 0.00 41.25 41.56 1wsg s ASN 16 CO 0.00 -0.05 1.02 -2.16 -3.72 0.00 0.00 177.10 172.19 1wsg s PRO 17 N 0.92 2.22 0.00 0.43 0.04 -1.26 -5.04 135.00 132.31 1wsg s PRO 17 Ca 0.29 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1wsg s PRO 17 Cb 0.02 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wsg s PRO 17 CO -0.06 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.16 1wsg n GLY 18 N -2.93 -1.29 3.69 0.56 0.00 -0.08 -4.86 105.19 100.28 1wsg n GLY 18 Ca 0.08 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 1wsg n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsg n PRO 19 N -0.10 2.28 -3.97 1.61 -0.02 -1.03 -0.98 135.00 132.79 1wsg n PRO 19 Ca 0.00 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 1wsg n PRO 19 Cb 0.00 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 30.87 1wsg n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wsg n GLY 20 N 2.93 2.47 3.67 -1.23 0.00 -0.32 0.00 105.19 112.71 1wsg n GLY 20 Ca 0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 1wsg n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wsg s GLY 21 N -3.13 -0.32 0.13 -0.02 0.00 0.03 -0.48 107.32 103.54 1wsg s GLY 21 Ca 0.32 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.59 1wsg s GLY 21 CO 0.23 0.13 -0.11 -2.52 0.00 0.00 0.00 173.10 170.82 1wsg s TYR 22 N -3.03 1.24 0.02 1.90 -0.85 -0.92 -1.07 117.35 114.63 1wsg s TYR 22 Ca 0.11 -0.69 0.02 0.00 -0.52 0.00 0.00 57.07 55.99 1wsg s TYR 22 Cb -0.00 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.68 1wsg s TYR 22 CO -0.02 0.07 -0.07 0.20 -1.52 0.00 0.00 175.55 174.22 1wsg s GLY 23 N -2.82 0.39 -0.19 5.49 0.00 0.04 -3.17 107.32 107.07 1wsg s GLY 23 Ca 0.12 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 1wsg s GLY 23 CO 0.01 -0.53 0.64 0.00 0.00 0.00 0.00 173.10 173.22 1wsg s ALA 24 N -0.79 -1.59 -0.10 3.20 0.00 0.06 -1.44 121.76 121.10 1wsg s ALA 24 Ca -0.04 1.63 0.02 0.00 0.00 0.00 0.00 51.96 53.57 1wsg s ALA 24 Cb -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1wsg s ALA 24 CO 0.00 -0.32 -0.17 0.42 0.00 0.00 0.00 175.76 175.70 1wsg s ILE 25 N -0.10 1.56 -0.22 0.00 1.01 -0.17 -0.60 121.20 122.69 1wsg s ILE 25 Ca -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1wsg s ILE 25 Cb -0.04 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1wsg s ILE 25 CO 0.03 0.45 -0.04 -0.22 0.00 0.00 0.00 174.94 175.17 1wsg s LEU 26 N 0.77 2.95 -0.05 2.97 2.96 0.79 -1.76 118.68 127.31 1wsg s LEU 26 Ca -0.11 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1wsg s LEU 26 Cb -0.16 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1wsg s LEU 26 CO 0.02 -0.01 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.25 1wsg s ARG 27 N 1.39 1.99 -0.04 1.98 3.52 0.15 0.12 118.95 128.07 1wsg s ARG 27 Ca 0.05 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1wsg s ARG 27 Cb -0.14 -1.71 0.03 0.00 -1.56 0.00 0.00 34.95 31.56 1wsg s ARG 27 CO -0.02 0.28 0.06 -0.47 -0.81 0.00 0.00 175.30 174.34 1wsg s TYR 28 N -0.02 0.03 -1.47 5.12 6.14 0.43 -1.37 117.35 126.21 1wsg s TYR 28 Ca -0.04 0.25 -0.04 0.00 0.64 0.00 0.00 57.07 57.89 1wsg s TYR 28 Cb -0.12 -0.38 0.03 0.00 0.42 0.00 0.00 41.96 41.91 1wsg s TYR 28 CO 0.03 -0.17 0.48 0.54 0.64 0.00 0.00 175.55 177.07 1wsg n ARG 29 N 4.94 -3.25 0.00 4.97 5.12 -1.26 0.14 116.66 127.32 1wsg n ARG 29 Ca -0.11 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 1wsg n ARG 29 Cb 0.50 -4.62 0.00 0.00 -1.16 0.00 0.00 32.46 27.18 1wsg n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wsg n GLY 30 N -1.90 2.93 3.73 -0.13 0.00 -1.26 -4.99 105.19 103.57 1wsg n GLY 30 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1wsg n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wsg s ARG 31 N -0.05 4.37 0.00 1.61 1.81 0.12 -5.07 118.95 121.74 1wsg s ARG 31 Ca 0.00 0.68 0.05 0.00 -1.72 0.00 0.00 55.73 54.74 1wsg s ARG 31 Cb 0.00 -3.41 -0.01 0.00 -0.45 0.00 0.00 34.95 31.07 1wsg s ARG 31 CO 0.00 0.18 -0.14 -1.83 -0.68 0.00 0.00 175.30 172.83 1wsg s GLU 32 N 0.47 1.11 -0.09 3.54 -1.05 -1.26 0.16 118.70 121.59 1wsg s GLU 32 Ca 0.32 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.58 1wsg s GLU 32 Cb -0.17 -1.09 -0.02 0.00 -0.44 0.00 0.00 34.13 32.41 1wsg s GLU 32 CO 0.15 0.29 -0.13 0.15 0.95 0.00 0.00 175.26 176.67 1wsg s LYS 33 N -0.52 2.91 0.01 -4.83 1.02 0.33 -4.92 119.74 113.73 1wsg s LYS 33 Ca 0.05 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 1wsg s LYS 33 Cb -0.06 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1wsg s LYS 33 CO -0.00 0.45 0.13 0.99 -0.92 0.00 0.00 175.35 176.00 1wsg s THR 34 N -0.28 5.04 -0.01 2.17 2.01 -1.26 -0.15 115.64 123.16 1wsg s THR 34 Ca 0.02 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1wsg s THR 34 Cb -0.13 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1wsg s THR 34 CO 0.03 0.30 0.00 -0.36 -0.69 0.00 0.00 174.62 173.90 1wsg s PHE 35 N -1.29 0.09 -0.16 4.92 0.08 0.24 -5.00 117.98 116.86 1wsg s PHE 35 Ca 0.26 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 57.03 1wsg s PHE 35 Cb -0.12 -0.13 0.13 0.00 -0.57 0.00 0.00 43.02 42.33 1wsg s PHE 35 CO 0.18 -0.03 1.03 -1.54 -0.10 0.00 0.00 175.22 174.75 1wsg s SER 36 N 0.33 -0.33 -0.15 1.36 1.04 -1.26 -0.76 113.70 113.93 1wsg s SER 36 Ca -0.03 0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.43 1wsg s SER 36 Cb -0.05 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.46 1wsg s SER 36 CO -0.01 -0.33 0.90 0.00 0.98 0.00 0.00 173.24 174.78 1wsg s ALA 37 N -1.32 -1.88 0.04 5.32 0.00 -1.19 -5.00 121.76 117.73 1wsg s ALA 37 Ca 0.00 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.62 1wsg s ALA 37 Cb -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1wsg s ALA 37 CO -0.00 -0.32 -0.19 0.20 0.00 0.00 0.00 175.76 175.44 1wsg s GLY 38 N -0.84 1.54 -0.02 0.00 0.00 -1.26 -2.17 107.32 104.56 1wsg s GLY 38 Ca -0.04 -1.19 0.08 0.00 0.00 0.00 0.00 44.72 43.57 1wsg s GLY 38 CO 0.03 -1.08 -0.26 -0.19 0.00 0.00 0.00 173.10 171.60 1wsg s TYR 39 N -0.89 2.34 0.34 1.90 1.51 0.37 -1.60 117.35 121.33 1wsg s TYR 39 Ca 0.14 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1wsg s TYR 39 Cb -0.10 -1.50 0.60 0.00 -0.11 0.00 0.00 41.96 40.85 1wsg s TYR 39 CO 0.04 -0.04 1.97 1.79 -1.11 0.00 0.00 175.55 178.20 1wsg h THR 40 N 4.49 1.17 -2.00 -0.71 1.35 -1.21 -0.83 112.91 115.17 1wsg h THR 40 Ca -0.43 -0.44 -0.20 0.00 -0.55 0.00 0.00 66.41 64.79 1wsg h THR 40 Cb 1.12 0.41 -0.31 0.00 -1.73 0.00 0.00 68.15 67.64 1wsg h THR 40 CO 0.47 0.19 -0.53 -0.60 -0.25 0.00 0.00 175.52 174.81 1wsg s ARG 41 N -5.53 0.33 0.00 4.72 3.52 -1.26 -2.48 118.95 118.25 1wsg s ARG 41 Ca -0.10 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1wsg s ARG 41 Cb 0.17 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1wsg s ARG 41 CO 0.77 -0.73 0.00 -2.37 -0.81 0.00 0.00 175.30 172.16 1wsg n THR 42 N 5.35 0.00 -4.39 4.11 5.66 -0.15 -4.38 114.28 120.47 1wsg n THR 42 Ca -0.03 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.76 1wsg n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.57 1.89 0.27 1.09 -4.23 -1.26 -0.91 115.64 109.93 1wsg s THR 43 Ca 0.00 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.23 1wsg s THR 43 Cb 0.00 -2.18 0.22 0.00 1.34 0.00 0.00 72.50 71.88 1wsg s THR 43 CO 0.00 -0.50 1.90 -1.13 -0.54 0.00 0.00 174.62 174.35 1wsg h ASN 44 N 2.44 0.99 0.02 3.99 -0.73 -1.87 -2.27 115.58 118.15 1wsg h ASN 44 Ca -0.39 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 57.70 1wsg h ASN 44 Cb 1.23 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.57 1wsg h ASN 44 CO 0.63 0.79 -0.01 0.78 -0.37 0.00 0.00 177.43 179.24 1wsg h ASN 45 N 1.12 -0.02 -0.96 1.15 -0.26 -1.95 -1.66 115.58 112.99 1wsg h ASN 45 Ca 0.29 -0.15 0.03 0.00 -0.56 0.00 0.00 56.30 55.90 1wsg h ASN 45 Cb 0.01 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 1wsg h ASN 45 CO -0.05 0.14 0.63 0.03 -1.06 0.00 0.00 177.43 177.12 1wsg h ARG 46 N -0.19 1.19 -0.54 0.81 3.08 -1.93 -1.32 114.38 115.48 1wsg h ARG 46 Ca -0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1wsg h ARG 46 Cb 0.18 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1wsg h ARG 46 CO 0.00 0.79 0.05 0.52 -1.07 0.00 0.00 179.97 180.26 1wsg h MET 47 N 1.23 0.89 -0.63 0.04 2.86 -1.25 0.20 114.93 118.27 1wsg h MET 47 Ca 0.38 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1wsg h MET 47 Cb -0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1wsg h MET 47 CO -0.11 0.85 0.12 0.00 1.06 0.00 0.00 176.91 178.83 1wsg h ALA 48 N 1.22 0.84 -0.30 6.32 0.00 -0.59 -1.12 119.26 125.62 1wsg h ALA 48 Ca 0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1wsg h ALA 48 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wsg h ALA 48 CO 0.01 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 1wsg h LEU 49 N 0.95 0.54 -0.84 0.00 3.38 -0.87 -3.16 115.31 115.32 1wsg h LEU 49 Ca 0.19 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wsg h LEU 49 Cb 0.41 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1wsg h LEU 49 CO 0.01 0.72 0.52 -0.03 0.09 0.00 0.00 178.44 179.75 1wsg h MET 50 N 0.33 0.94 -0.56 1.13 4.05 -0.31 -1.68 114.93 118.84 1wsg h MET 50 Ca 0.08 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1wsg h MET 50 Cb 0.46 -0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 31.00 1wsg h MET 50 CO 0.02 0.62 0.30 0.00 0.23 0.00 0.00 176.91 178.08 1wsg h ALA 51 N 1.38 0.73 -0.12 0.39 0.00 -1.18 -0.82 119.26 119.64 1wsg h ALA 51 Ca 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wsg h ALA 51 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wsg h ALA 51 CO -0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 1wsg h ALA 52 N 1.29 0.16 0.02 0.00 0.00 -1.47 -2.80 119.26 116.47 1wsg h ALA 52 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wsg h ALA 52 Cb 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1wsg h ALA 52 CO -0.16 -0.09 -0.39 0.82 0.00 0.00 0.00 179.25 179.44 1wsg h ILE 53 N -0.09 0.20 -0.98 0.00 2.04 -1.00 -0.54 117.51 117.14 1wsg h ILE 53 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1wsg h ILE 53 Cb 0.46 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1wsg h ILE 53 CO 0.01 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.38 1wsg h VAL 54 N -0.56 1.12 -0.15 1.67 2.07 -1.22 0.12 116.25 119.31 1wsg h VAL 54 Ca 0.05 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1wsg h VAL 54 Cb 0.63 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1wsg h VAL 54 CO -0.29 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.48 1wsg h ALA 55 N 1.43 0.21 -0.03 1.67 0.00 -1.20 -2.85 119.26 118.49 1wsg h ALA 55 Ca 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wsg h ALA 55 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wsg h ALA 55 CO -0.15 -0.03 0.01 -0.07 0.00 0.00 0.00 179.25 179.00 1wsg h LEU 56 N -0.02 0.04 -0.25 0.00 3.38 -0.77 -2.51 115.31 115.18 1wsg h LEU 56 Ca 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wsg h LEU 56 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wsg h LEU 56 CO 0.02 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 1wsg n GLU 57 N -4.97 0.03 0.03 1.13 1.02 0.39 -0.51 120.64 117.76 1wsg n GLU 57 Ca -0.07 0.49 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1wsg n GLU 57 Cb 0.13 -1.58 0.43 0.00 -0.02 0.00 0.00 31.44 30.40 1wsg n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsg n ALA 58 N -1.55 2.68 -2.19 0.62 0.00 -0.95 -4.82 120.51 114.30 1wsg n ALA 58 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1wsg n ALA 58 Cb 0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 -3.46 4.50 -0.35 0.00 1.43 0.33 -4.98 118.68 116.15 1wsg s LEU 59 Ca 0.12 1.90 0.06 0.00 -1.03 0.00 0.00 54.13 55.17 1wsg s LEU 59 Cb 0.17 -3.59 0.46 0.00 0.03 0.00 0.00 46.19 43.25 1wsg s LEU 59 CO 0.61 -0.12 1.33 0.29 0.23 0.00 0.00 176.35 178.68 1wsg n LYS 60 N 2.66 3.41 0.00 1.70 5.02 -1.26 -4.99 118.16 124.70 1wsg n LYS 60 Ca 0.03 -4.00 0.00 0.00 -2.02 0.00 0.00 58.31 52.31 1wsg n LYS 60 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1wsg n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1wsg n GLU 61 N -0.76 0.00 -1.68 1.97 0.28 -1.26 -5.11 120.64 114.09 1wsg n GLU 61 Ca 0.46 0.00 -0.56 0.00 -0.16 0.00 0.00 57.16 56.90 1wsg n GLU 61 Cb 0.92 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.72 1wsg n GLU 61 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1wsg n HIS 62 N -0.24 2.02 -4.37 -1.84 8.25 -1.26 -4.94 115.22 112.84 1wsg n HIS 62 Ca 0.00 0.48 -0.23 0.00 -0.26 0.00 0.00 57.72 57.70 1wsg n HIS 62 Cb 0.00 -2.48 -0.11 0.00 1.12 0.00 0.00 29.99 28.52 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 -2.84 3.63 -0.09 0.00 2.12 0.71 -0.93 118.70 121.30 1wsg s GLU 64 Ca 0.18 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.37 1wsg s GLU 64 Cb -0.06 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 1wsg s GLU 64 CO 0.08 -0.63 -0.12 0.08 -0.54 0.00 0.00 175.26 174.13 1wsg s VAL 65 N 2.37 3.18 -0.39 3.70 1.01 0.27 -1.64 120.40 128.90 1wsg s VAL 65 Ca 0.18 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1wsg s VAL 65 Cb -0.15 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1wsg s VAL 65 CO 0.13 0.56 0.20 -0.51 0.00 0.00 0.00 175.10 175.48 1wsg s ILE 66 N -0.19 3.98 -0.37 2.22 2.07 -0.95 0.21 121.20 128.16 1wsg s ILE 66 Ca 0.01 -1.37 -0.16 0.00 -1.41 0.00 0.00 60.65 57.71 1wsg s ILE 66 Cb -0.13 -3.40 0.00 0.00 0.13 0.00 0.00 42.46 39.06 1wsg s ILE 66 CO 0.03 -0.41 0.41 -0.22 -1.91 0.00 0.00 174.94 172.84 1wsg s LEU 67 N 1.39 4.56 -0.22 8.50 0.20 0.99 -1.54 118.68 132.56 1wsg s LEU 67 Ca 0.02 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 54.40 1wsg s LEU 67 Cb -0.22 -2.39 -0.05 0.00 -0.43 0.00 0.00 46.19 43.11 1wsg s LEU 67 CO 0.02 -0.44 0.12 -0.55 -0.29 0.00 0.00 176.35 175.21 1wsg s SER 68 N 1.76 5.91 -0.17 3.68 0.15 0.30 -0.24 113.70 125.09 1wsg s SER 68 Ca 0.13 0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.63 1wsg s SER 68 Cb -0.17 -2.05 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1wsg s SER 68 CO 0.13 0.09 0.59 0.28 1.20 0.00 0.00 173.24 175.53 1wsg s THR 69 N 0.89 0.01 -2.25 6.45 -1.32 -1.03 -1.18 115.64 117.21 1wsg s THR 69 Ca 0.06 -0.04 0.21 0.00 -1.21 0.00 0.00 61.69 60.70 1wsg s THR 69 Cb -0.13 -0.85 0.47 0.00 -1.51 0.00 0.00 72.50 70.47 1wsg s THR 69 CO 0.03 -0.02 1.44 -0.90 -2.21 0.00 0.00 174.62 172.96 1wsg n ASP 70 N 2.22 2.94 -4.65 8.08 5.68 -1.26 -2.50 116.55 127.07 1wsg n ASP 70 Ca -0.16 -1.94 -0.43 0.00 -0.50 0.00 0.00 54.79 51.77 1wsg n ASP 70 Cb 0.56 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 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 -1.31 6.68 0.17 -1.12 0.15 -1.26 -4.88 113.70 112.12 1wsg s SER 71 Ca 0.37 1.71 -0.09 0.00 0.70 0.00 0.00 55.95 58.65 1wsg s SER 71 Cb 0.21 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1wsg s SER 71 CO 0.28 -0.99 1.56 -0.61 1.20 0.00 0.00 173.24 174.68 1wsg h GLN 72 N 9.40 0.94 0.26 5.44 4.15 -1.97 -2.27 115.11 131.05 1wsg h GLN 72 Ca -0.31 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 58.70 1wsg h GLN 72 Cb 1.13 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1wsg h GLN 72 CO 0.99 1.07 -0.21 -0.92 -1.93 0.00 0.00 178.83 177.83 1wsg h TYR 73 N 0.80 -0.55 -0.64 3.99 3.20 -1.99 0.15 116.97 121.94 1wsg h TYR 73 Ca 0.10 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1wsg h TYR 73 Cb 0.81 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1wsg h TYR 73 CO 0.05 -0.32 0.39 0.28 -1.64 0.00 0.00 178.16 176.92 1wsg h VAL 74 N -0.48 1.18 -0.31 1.81 2.07 -1.93 -1.03 116.25 117.56 1wsg h VAL 74 Ca -0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1wsg h VAL 74 Cb 0.43 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1wsg h VAL 74 CO -0.01 0.19 0.18 -0.09 0.02 0.00 0.00 177.57 177.86 1wsg h ARG 75 N 0.86 0.42 -0.72 1.57 2.43 -1.14 0.55 114.38 118.35 1wsg h ARG 75 Ca 0.23 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1wsg h ARG 75 Cb -0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1wsg h ARG 75 CO -0.04 0.34 0.26 0.37 -1.51 0.00 0.00 179.97 179.39 1wsg h GLN 76 N 0.39 1.09 -0.31 0.20 4.15 -0.49 -0.70 115.11 119.44 1wsg h GLN 76 Ca 0.11 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 1wsg h GLN 76 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1wsg h GLN 76 CO -0.02 0.91 -0.24 0.78 -1.93 0.00 0.00 178.83 178.33 1wsg h GLY 77 N 1.04 0.76 1.18 2.39 0.00 -0.96 0.17 103.07 107.65 1wsg h GLY 77 Ca 0.24 -0.74 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 1wsg h GLY 77 CO -0.02 0.67 -0.33 -2.22 0.00 0.00 0.00 176.54 174.65 1wsg h ILE 78 N 0.45 1.27 -0.00 2.60 1.08 -0.81 0.21 117.51 122.31 1wsg h ILE 78 Ca 0.06 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1wsg h ILE 78 Cb 0.80 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1wsg h ILE 78 CO 0.06 0.50 -0.44 0.35 -0.69 0.00 0.00 178.15 177.94 1wsg n THR 79 N -4.07 0.00 0.00 -0.27 -2.24 -0.28 -4.54 114.28 102.88 1wsg n THR 79 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wsg n THR 79 Cb 0.51 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1wsg n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsg n GLN 80 N -1.10 0.56 -0.12 -0.78 6.02 0.58 -4.98 117.38 117.55 1wsg n GLN 80 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 1wsg n GLN 80 Cb 0.35 -0.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.80 1wsg n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsg n TRP 81 N -1.60 0.00 -0.30 1.08 8.01 -0.71 -4.63 117.44 119.28 1wsg n TRP 81 Ca 0.00 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.33 1wsg n TRP 81 Cb 0.19 -0.91 0.31 0.00 -2.01 0.00 0.00 31.31 28.89 1wsg n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsg h ILE 82 N -0.17 0.31 0.19 -0.99 6.09 -0.86 -0.99 117.51 121.09 1wsg h ILE 82 Ca -0.55 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1wsg h ILE 82 Cb 1.78 0.07 0.00 0.00 0.47 0.00 0.00 36.82 39.14 1wsg h ILE 82 CO -0.14 0.04 -0.09 -0.74 -3.07 0.00 0.00 178.15 174.15 1wsg h HIS 83 N 0.22 -0.23 -0.80 2.19 2.76 -1.83 -2.45 115.15 115.02 1wsg h HIS 83 Ca 0.58 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.71 1wsg h HIS 83 Cb 1.18 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.18 1wsg h HIS 83 CO -0.23 -0.14 0.40 -0.91 -1.30 0.00 0.00 177.93 175.75 1wsg h ASN 84 N -0.26 1.03 0.43 3.26 2.35 -1.59 -2.92 115.58 117.88 1wsg h ASN 84 Ca -0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1wsg h ASN 84 Cb 0.20 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1wsg h ASN 84 CO 0.04 0.86 -0.36 -0.50 -1.65 0.00 0.00 177.43 175.82 1wsg h TRP 85 N 1.13 -0.96 0.00 1.19 6.55 -1.00 0.31 115.95 123.17 1wsg h TRP 85 Ca 0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.12 1wsg h TRP 85 Cb 0.09 0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1wsg h TRP 85 CO 0.01 -0.52 0.00 1.63 -1.05 0.00 0.00 178.44 178.51 1wsg n LYS 86 N -5.48 0.09 -0.07 0.49 5.02 -0.94 0.49 118.16 117.76 1wsg n LYS 86 Ca -0.11 0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 56.62 1wsg n LYS 86 Cb 0.37 -1.76 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 1wsg n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wsg n ALA 87 N -1.67 1.55 0.13 7.82 0.00 -0.74 -4.29 120.51 123.32 1wsg n ALA 87 Ca 0.00 -1.14 0.11 0.00 0.00 0.00 0.00 53.44 52.41 1wsg n ALA 87 Cb 0.07 -0.39 0.27 0.00 0.00 0.00 0.00 19.45 19.40 1wsg n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wsg n ARG 88 N -2.82 2.46 -2.23 0.00 1.74 0.10 -4.93 116.66 110.98 1wsg n ARG 88 Ca -0.27 -2.25 -0.03 0.00 -0.77 0.00 0.00 57.85 54.53 1wsg n ARG 88 Cb 1.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 1wsg n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsg n GLY 89 N 1.50 0.42 3.64 -0.13 0.00 -0.45 -3.82 105.19 106.35 1wsg n GLY 89 Ca 0.21 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.64 -2.46 -4.21 1.61 7.02 0.18 -5.01 117.44 110.92 1wsg n TRP 90 Ca -0.02 0.95 -0.12 0.00 -1.02 0.00 0.00 57.50 57.29 1wsg n TRP 90 Cb 0.52 -4.74 -0.10 0.00 -2.42 0.00 0.00 31.31 24.57 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 -6.11 0.98 0.06 -0.99 1.02 -1.25 -3.44 119.74 110.02 1wsg s LYS 91 Ca 0.38 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 1wsg s LYS 91 Cb -0.18 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1wsg s LYS 91 CO 0.76 -0.02 0.08 0.25 -0.92 0.00 0.00 175.35 175.50 1wsg n THR 92 N -0.14 0.00 0.03 2.17 -2.24 0.99 -4.84 114.28 110.25 1wsg n THR 92 Ca -0.10 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1wsg n THR 92 Cb 0.61 -1.77 -0.09 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.00 -0.07 -0.05 6.98 0.00 -2.00 -2.91 119.26 119.20 1wsg h ALA 93 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wsg h ALA 93 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1wsg h ALA 93 CO 0.02 -0.39 0.04 -0.40 0.00 0.00 0.00 179.25 178.52 1wsg n ASP 94 N -4.98 4.38 -3.79 0.00 3.85 -1.26 -4.84 116.55 109.92 1wsg n ASP 94 Ca -0.08 -2.30 -0.33 0.00 -0.71 0.00 0.00 54.79 51.36 1wsg n ASP 94 Cb 0.18 -0.85 0.03 0.00 -1.35 0.00 0.00 41.12 39.13 1wsg n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsg n LYS 95 N 0.95 -0.95 -4.19 0.11 4.76 -1.10 -5.01 118.16 112.73 1wsg n LYS 95 Ca 0.03 0.45 -0.17 0.00 -2.87 0.00 0.00 58.31 55.75 1wsg n LYS 95 Cb 0.53 -3.36 -0.12 0.00 -1.84 0.00 0.00 35.03 30.23 1wsg n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsg s LYS 96 N -6.09 0.76 0.41 1.97 1.02 -1.26 -4.86 119.74 111.69 1wsg s LYS 96 Ca 0.37 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 1wsg s LYS 96 Cb -0.16 -0.71 -0.10 0.00 -0.52 0.00 0.00 37.83 36.34 1wsg s LYS 96 CO 0.90 0.16 1.44 -2.30 -0.92 0.00 0.00 175.35 174.63 1wsg n PRO 97 N 1.57 2.44 -2.43 -1.68 -0.02 -1.26 -0.01 135.00 133.61 1wsg n PRO 97 Ca -0.20 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1wsg n PRO 97 Cb 0.55 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.15 3.53 0.22 -1.45 -7.23 -1.22 -4.75 120.40 108.35 1wsg s VAL 98 Ca 0.57 0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 61.39 1wsg s VAL 98 Cb -0.47 -3.40 -0.12 0.00 0.56 0.00 0.00 36.38 32.95 1wsg s VAL 98 CO 0.61 -0.19 1.69 -0.75 -0.31 0.00 0.00 175.10 176.14 1wsg s LYS 99 N -3.21 4.13 -1.37 4.82 2.47 -1.26 -1.92 119.74 123.40 1wsg s LYS 99 Ca 0.69 2.59 0.00 0.00 -1.56 0.00 0.00 55.97 57.69 1wsg s LYS 99 Cb -0.20 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1wsg s LYS 99 CO 0.23 -0.72 0.00 0.09 0.16 0.00 0.00 175.35 175.11 1wsg n ASN 100 N 3.63 -4.74 0.11 1.43 3.02 -1.26 -4.88 115.26 112.57 1wsg n ASN 100 Ca 0.14 -0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.85 1wsg n ASN 100 Cb 0.36 -3.86 0.70 0.00 -0.61 0.00 0.00 39.78 36.37 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 0.00 0.75 -0.40 2.41 3.04 -1.76 -1.34 116.25 118.95 1wsg h VAL 101 Ca -0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1wsg h VAL 101 Cb 1.27 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1wsg h VAL 101 CO 0.45 0.00 0.23 -2.24 -1.01 0.00 0.00 177.57 174.99 1wsg h ASP 102 N 0.00 0.49 0.64 3.17 2.03 -1.89 -1.88 116.42 118.97 1wsg h ASP 102 Ca 0.15 -0.07 -0.27 0.00 -0.73 0.00 0.00 57.03 56.11 1wsg h ASP 102 Cb 0.64 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1wsg h ASP 102 CO -0.00 0.42 -1.23 -0.07 -1.03 0.00 0.00 179.24 177.33 1wsg h LEU 103 N 0.51 0.42 -1.21 0.15 3.38 -1.68 -3.04 115.31 113.84 1wsg h LEU 103 Ca 0.14 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1wsg h LEU 103 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1wsg h LEU 103 CO -0.02 1.34 -0.06 -0.50 0.09 0.00 0.00 178.44 179.29 1wsg h TRP 104 N 0.08 0.49 -0.01 1.13 4.06 -1.24 -0.41 115.95 120.04 1wsg h TRP 104 Ca -0.13 -0.06 -0.21 0.00 2.06 0.00 0.00 58.89 60.55 1wsg h TRP 104 Cb 1.96 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.98 1wsg h TRP 104 CO 0.06 0.53 -0.89 1.96 -3.56 0.00 0.00 178.44 176.54 1wsg h GLN 105 N 0.44 0.37 -0.31 0.49 4.20 -1.43 -1.50 115.11 117.38 1wsg h GLN 105 Ca 0.09 -0.38 -0.14 0.00 0.06 0.00 0.00 58.65 58.28 1wsg h GLN 105 Cb 0.39 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1wsg h GLN 105 CO 0.02 1.06 -0.37 -0.09 -0.67 0.00 0.00 178.83 178.77 1wsg h ARG 106 N 0.22 0.72 -0.21 1.46 2.43 -1.35 -1.68 114.38 115.97 1wsg h ARG 106 Ca -0.06 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1wsg h ARG 106 Cb 1.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1wsg h ARG 106 CO 0.15 0.97 -0.06 1.25 -1.51 0.00 0.00 179.97 180.78 1wsg h LEU 107 N 0.60 0.41 -0.39 3.80 5.85 -1.06 -1.81 115.31 122.71 1wsg h LEU 107 Ca 0.06 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1wsg h LEU 107 Cb 0.90 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1wsg h LEU 107 CO 0.08 0.69 -0.02 -0.78 -0.34 0.00 0.00 178.44 178.07 1wsg h ASP 108 N 0.12 -0.20 -0.56 1.25 -0.00 -1.12 0.18 116.42 116.09 1wsg h ASP 108 Ca 0.05 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1wsg h ASP 108 Cb 0.51 0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.99 1wsg h ASP 108 CO 0.02 -0.06 0.36 0.00 -0.00 0.00 0.00 179.24 179.56 1wsg h ALA 109 N 1.35 0.72 -0.16 -0.78 0.00 -1.23 -1.61 119.26 117.53 1wsg h ALA 109 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wsg h ALA 109 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wsg h ALA 109 CO -0.33 0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.16 1wsg h ALA 110 N 1.19 0.21 -0.76 0.00 0.00 -0.54 -2.98 119.26 116.38 1wsg h ALA 110 Ca 0.20 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1wsg h ALA 110 Cb -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1wsg h ALA 110 CO -0.04 -0.20 0.41 -0.07 0.00 0.00 0.00 179.25 179.35 1wsg h LEU 111 N 0.11 0.58 -0.40 0.00 3.38 -0.45 -1.79 115.31 116.74 1wsg h LEU 111 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wsg h LEU 111 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wsg h LEU 111 CO -0.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1wsg n GLY 112 N -1.31 -0.67 0.91 0.83 0.00 -0.63 -1.82 105.19 102.50 1wsg n GLY 112 Ca 0.12 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.73 2.19 -3.95 1.61 6.02 -0.67 -4.94 117.38 115.91 1wsg n GLN 113 Ca 0.00 -1.72 -0.10 0.00 -0.01 0.00 0.00 57.00 55.17 1wsg n GLN 113 Cb 0.03 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1wsg n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1wsg s HIS 114 N -1.42 0.38 -0.53 1.08 3.76 -0.76 -4.15 115.29 113.66 1wsg s HIS 114 Ca 0.32 -0.81 -0.16 0.00 -0.15 0.00 0.00 55.06 54.26 1wsg s HIS 114 Cb 0.17 0.37 0.12 0.00 1.11 0.00 0.00 32.58 34.35 1wsg s HIS 114 CO 0.21 -1.21 0.50 -0.65 -0.85 0.00 0.00 174.74 172.74 1wsg s GLN 115 N -3.35 2.99 0.03 1.40 -1.52 -0.10 -4.96 119.66 114.15 1wsg s GLN 115 Ca 0.21 -1.61 -0.21 0.00 -1.95 0.00 0.00 55.36 51.79 1wsg s GLN 115 Cb -0.03 -4.27 -0.06 0.00 -0.22 0.00 0.00 33.01 28.44 1wsg s GLN 115 CO 0.12 -1.29 0.63 0.42 -0.25 0.00 0.00 175.29 174.92 1wsg s ILE 116 N 1.69 4.80 -0.31 1.08 -1.09 -1.26 0.98 121.20 127.09 1wsg s ILE 116 Ca 0.04 1.33 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1wsg s ILE 116 Cb -0.28 -3.97 0.10 0.00 -1.58 0.00 0.00 42.46 36.73 1wsg s ILE 116 CO 0.04 0.45 0.08 -0.75 -1.23 0.00 0.00 174.94 173.52 1wsg s LYS 117 N -0.44 0.96 -0.01 2.79 2.20 0.56 -4.92 119.74 120.88 1wsg s LYS 117 Ca 0.32 -1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 54.34 1wsg s LYS 117 Cb -0.19 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1wsg s LYS 117 CO 0.19 -0.95 1.07 -1.58 -0.36 0.00 0.00 175.35 173.71 1wsg s TRP 118 N 1.41 3.52 -0.42 4.03 0.52 -1.26 -0.01 118.94 126.73 1wsg s TRP 118 Ca 0.09 1.52 0.01 0.00 0.02 0.00 0.00 56.10 57.74 1wsg s TRP 118 Cb -0.18 -3.24 0.11 0.00 -1.15 0.00 0.00 33.47 29.01 1wsg s TRP 118 CO -0.19 -0.52 0.17 -2.00 0.02 0.00 0.00 176.95 174.43 1wsg s GLU 119 N 1.35 1.84 -0.91 4.98 2.12 0.67 -4.90 118.70 123.85 1wsg s GLU 119 Ca 0.53 -2.02 -0.24 0.00 0.36 0.00 0.00 54.97 53.60 1wsg s GLU 119 Cb -0.23 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.78 1wsg s GLU 119 CO 0.26 -1.03 1.47 -1.58 -0.54 0.00 0.00 175.26 173.83 1wsg s TRP 120 N 0.74 2.35 0.23 5.30 0.52 -1.26 -2.48 118.94 124.33 1wsg s TRP 120 Ca 0.11 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 1wsg s TRP 120 Cb -0.21 -4.59 -0.09 0.00 -1.15 0.00 0.00 33.47 27.43 1wsg s TRP 120 CO -0.05 -1.98 1.37 0.14 0.02 0.00 0.00 176.95 176.45 1wsg s VAL 121 N 5.90 2.92 0.31 4.03 -7.23 -1.04 -4.99 120.40 120.30 1wsg s VAL 121 Ca 0.46 0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 61.23 1wsg s VAL 121 Cb -0.04 -3.50 -0.09 0.00 0.56 0.00 0.00 36.38 33.32 1wsg s VAL 121 CO -0.00 0.13 0.77 -0.54 -0.31 0.00 0.00 175.10 175.14 1wsg s LYS 122 N -0.37 4.12 0.11 4.82 -0.14 -1.26 -4.42 119.74 122.61 1wsg s LYS 122 Ca 0.57 0.81 -0.04 0.00 -1.36 0.00 0.00 55.97 55.95 1wsg s LYS 122 Cb -0.39 -2.52 0.17 0.00 -1.68 0.00 0.00 37.83 33.40 1wsg s LYS 122 CO 0.42 0.19 0.62 0.41 -0.76 0.00 0.00 175.35 176.24 1wsg n GLY 123 N -0.10 -0.70 0.42 -3.33 0.00 -1.26 0.14 105.19 100.36 1wsg n GLY 123 Ca 0.03 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.58 1wsg n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wsg n HIS 124 N -4.64 0.00 -1.20 1.61 1.44 -1.26 -4.46 115.22 106.71 1wsg n HIS 124 Ca 0.06 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.49 1wsg n HIS 124 Cb 0.19 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.36 1wsg n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wsg n ALA 125 N -0.14 5.90 -2.01 1.59 0.00 0.37 -4.96 120.51 121.25 1wsg n ALA 125 Ca 0.08 -2.81 -0.18 0.00 0.00 0.00 0.00 53.44 50.53 1wsg n ALA 125 Cb 0.42 -1.65 0.03 0.00 0.00 0.00 0.00 19.45 18.25 1wsg n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wsg s GLY 126 N -0.97 1.86 0.48 0.00 0.00 -1.22 -4.05 107.32 103.43 1wsg s GLY 126 Ca 0.51 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 43.48 1wsg s GLY 126 CO -0.03 -1.51 0.17 0.30 0.00 0.00 0.00 173.10 172.03 1wsg s HIS 127 N -2.52 2.11 0.54 1.90 3.76 -1.26 -5.00 115.29 114.82 1wsg s HIS 127 Ca 0.58 -0.78 0.25 0.00 -0.15 0.00 0.00 55.06 54.96 1wsg s HIS 127 Cb -0.08 -1.83 1.58 0.00 1.11 0.00 0.00 32.58 33.36 1wsg s HIS 127 CO 0.36 0.04 2.19 -1.35 -0.85 0.00 0.00 174.74 175.13 1wsg h PRO 128 N 1.25 0.00 -0.27 8.40 0.11 -2.00 -2.42 132.00 137.07 1wsg h PRO 128 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1wsg h PRO 128 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wsg h PRO 128 CO 0.69 0.03 -0.31 0.93 -0.21 0.00 0.00 178.00 179.13 1wsg h GLU 129 N 0.00 0.69 -0.61 1.05 3.07 -1.99 -2.01 114.58 114.78 1wsg h GLU 129 Ca -0.00 -0.38 -0.06 0.00 -0.50 0.00 0.00 59.36 58.42 1wsg h GLU 129 Cb 0.07 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1wsg h GLU 129 CO 0.00 0.99 0.15 -0.91 -1.40 0.00 0.00 179.01 177.85 1wsg h ASN 130 N 0.42 0.92 -0.66 1.42 4.21 -1.83 -1.96 115.58 118.10 1wsg h ASN 130 Ca 0.04 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.28 1wsg h ASN 130 Cb 0.89 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 1wsg h ASN 130 CO 0.08 0.91 0.26 -0.33 -1.29 0.00 0.00 177.43 177.05 1wsg h GLU 131 N 0.88 0.99 -0.88 0.81 5.08 -1.47 -2.04 114.58 117.95 1wsg h GLU 131 Ca 0.19 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1wsg h GLU 131 Cb 0.35 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1wsg h GLU 131 CO 0.00 0.83 0.58 -0.09 -1.00 0.00 0.00 179.01 179.33 1wsg h ARG 132 N 0.94 1.12 -0.19 2.33 9.65 -1.08 -0.55 114.38 126.60 1wsg h ARG 132 Ca 0.22 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1wsg h ARG 132 Cb 0.22 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1wsg h ARG 132 CO -0.02 0.74 -0.14 0.00 2.80 0.00 0.00 179.97 183.35 1wsg h ASN 134 N 0.29 0.97 -0.56 0.00 -1.24 -0.45 0.57 115.58 115.16 1wsg h ASN 134 Ca 0.06 -0.33 -0.10 0.00 0.71 0.00 0.00 56.30 56.63 1wsg h ASN 134 Cb 0.44 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1wsg h ASN 134 CO 0.03 1.10 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.88 1wsg h GLU 135 N 0.85 1.03 -0.02 6.67 5.08 -0.69 -0.26 114.58 127.23 1wsg h GLU 135 Ca 0.13 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1wsg h GLU 135 Cb 0.70 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wsg h GLU 135 CO 0.05 1.05 0.00 -0.07 -1.00 0.00 0.00 179.01 179.04 1wsg h LEU 136 N 0.91 0.04 -0.18 1.33 3.38 -0.82 -0.24 115.31 119.73 1wsg h LEU 136 Ca 0.15 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1wsg h LEU 136 Cb 0.62 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wsg h LEU 136 CO 0.04 0.30 0.03 0.00 0.09 0.00 0.00 178.44 178.89 1wsg h ALA 137 N 0.74 0.18 -0.52 1.53 0.00 -0.78 0.13 119.26 120.53 1wsg h ALA 137 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1wsg h ALA 137 Cb 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1wsg h ALA 137 CO 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 179.25 178.94 1wsg h ARG 138 N 0.10 0.80 -0.33 0.00 3.08 -1.03 -0.57 114.38 116.43 1wsg h ARG 138 Ca 0.08 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1wsg h ARG 138 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1wsg h ARG 138 CO -0.12 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1wsg h ALA 139 N 1.33 0.45 -0.65 0.04 0.00 -0.60 -2.62 119.26 117.21 1wsg h ALA 139 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1wsg h ALA 139 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wsg h ALA 139 CO 0.00 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.59 1wsg h ALA 140 N 0.85 1.00 0.00 0.00 0.00 -0.65 -2.55 119.26 117.91 1wsg h ALA 140 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1wsg h ALA 140 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wsg h ALA 140 CO 0.02 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.82 1wsg h ALA 141 N 1.14 1.51 -0.01 0.00 0.00 -0.96 -1.49 119.26 119.46 1wsg h ALA 141 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wsg h ALA 141 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wsg h ALA 141 CO 0.01 0.11 -0.17 -1.33 0.00 0.00 0.00 179.25 177.86 1wsg n MET 142 N -3.94 0.96 -3.05 0.00 2.81 -0.97 -4.29 117.12 108.65 1wsg n MET 142 Ca -0.02 -0.52 -0.17 0.00 -1.81 0.00 0.00 57.70 55.18 1wsg n MET 142 Cb 0.18 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.57 -0.45 -4.75 7.83 4.05 -0.59 -5.10 115.26 115.68 1wsg n ASN 143 Ca 0.14 -3.08 -0.41 0.00 0.45 0.00 0.00 54.58 51.68 1wsg n ASN 143 Cb 0.33 0.17 -0.03 0.00 1.23 0.00 0.00 39.78 41.48 1wsg n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsg s PRO 144 N -1.15 4.44 0.00 1.20 0.04 -1.02 -4.67 135.00 133.85 1wsg s PRO 144 Ca 0.34 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1wsg s PRO 144 Cb 0.27 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1wsg s PRO 144 CO -0.11 -0.12 0.00 0.25 0.04 0.00 0.00 177.00 177.06 1wsg n THR 145 N 1.78 0.00 -4.45 1.26 -2.24 -0.88 -4.82 114.28 104.94 1wsg n THR 145 Ca 0.03 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1wsg n THR 145 Cb 0.43 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.02 2.83 -0.11 3.22 1.43 -0.62 -4.98 118.68 118.43 1wsg s LEU 146 Ca 0.00 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1wsg s LEU 146 Cb 0.00 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1wsg s LEU 146 CO 0.00 -0.18 -0.04 -0.70 0.23 0.00 0.00 176.35 175.66 1wsg s GLU 147 N -3.64 3.23 -1.21 1.70 2.12 -1.26 -0.71 118.70 118.94 1wsg s GLU 147 Ca 0.33 -0.50 -0.15 0.00 0.36 0.00 0.00 54.97 55.01 1wsg s GLU 147 Cb 0.00 -2.79 0.15 0.00 0.26 0.00 0.00 34.13 31.76 1wsg s GLU 147 CO 0.18 0.48 1.47 0.34 -0.54 0.00 0.00 175.26 177.18 1wsg s ASP 148 N -0.28 7.01 0.57 -1.70 3.68 -1.26 -4.81 116.67 119.87 1wsg s ASP 148 Ca 0.05 -2.84 0.26 0.00 2.13 0.00 0.00 52.55 52.14 1wsg s ASP 148 Cb -0.13 -2.43 1.59 0.00 -1.45 0.00 0.00 42.92 40.51 1wsg s ASP 148 CO 0.02 -0.84 2.15 0.71 0.13 0.00 0.00 175.17 177.34 1wsg h THR 149 N 4.89 0.63 0.00 1.71 1.35 -1.96 -1.32 112.91 118.22 1wsg h THR 149 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1wsg h THR 149 Cb 0.88 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1wsg h THR 149 CO 1.27 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 1wsg n GLY 150 N -1.44 -1.54 3.64 5.82 0.00 -1.26 -4.80 105.19 105.62 1wsg n GLY 150 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.09 2.72 -0.62 1.61 6.04 -0.50 -4.97 117.35 118.54 1wsg s TYR 151 Ca 0.11 0.90 -0.28 0.00 0.04 0.00 0.00 57.07 57.84 1wsg s TYR 151 Cb 0.14 -3.78 0.03 0.00 -1.04 0.00 0.00 41.96 37.30 1wsg s TYR 151 CO 0.52 -1.75 1.26 -0.65 -1.54 0.00 0.00 175.55 173.40 1wsg s GLN 152 N 3.98 3.38 -0.20 4.97 -1.52 -1.26 -4.94 119.66 124.07 1wsg s GLN 152 Ca 0.56 0.15 -0.34 0.00 -1.95 0.00 0.00 55.36 53.78 1wsg s GLN 152 Cb -0.18 -4.08 -0.11 0.00 -0.22 0.00 0.00 33.01 28.41 1wsg s GLN 152 CO 0.21 -1.86 2.00 0.28 -0.25 0.00 0.00 175.29 175.66 1wsg n VAL 153 N 6.63 0.42 1.23 1.09 0.31 -1.26 -4.82 118.33 121.92 1wsg n VAL 153 Ca 0.08 -0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.34 1wsg n VAL 153 Cb 0.49 -1.84 0.29 0.00 -0.91 0.00 0.00 33.84 31.87 1wsg n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wsg n GLU 154 N 7.26 1.69 0.00 5.55 1.02 -1.26 -5.21 120.64 129.69 1wsg n GLU 154 Ca 0.29 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1wsg n GLU 154 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1wsg n GLU 154 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86