#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 -3.92 -4.77 -0.89 4.32 -1.26 -4.92 117.00 105.56 1wsg n LEU 2 Ca 0.00 1.17 -0.41 0.00 -0.02 0.00 0.00 56.01 56.75 1wsg n LEU 2 Cb 0.00 -1.94 -0.01 0.00 -1.62 0.00 0.00 43.42 39.84 1wsg n LEU 2 CO 0.00 -1.28 1.08 -1.59 -1.22 0.00 0.00 177.39 174.39 1wsg s LYS 3 N -1.37 4.22 -0.06 3.23 -2.85 -1.26 -4.56 119.74 117.09 1wsg s LYS 3 Ca -0.01 2.40 -0.18 0.00 -1.00 0.00 0.00 55.97 57.19 1wsg s LYS 3 Cb 0.00 -3.03 -0.05 0.00 -2.06 0.00 0.00 37.83 32.69 1wsg s LYS 3 CO 0.03 -0.40 0.48 -1.14 0.10 0.00 0.00 175.35 174.43 1wsg s GLN 4 N -1.62 4.23 0.09 1.78 0.74 -1.26 -2.04 119.66 121.57 1wsg s GLN 4 Ca 0.53 0.49 0.05 0.00 0.05 0.00 0.00 55.36 56.48 1wsg s GLN 4 Cb -0.43 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 1wsg s GLN 4 CO 0.55 0.35 -0.13 0.08 -0.55 0.00 0.00 175.29 175.60 1wsg s VAL 5 N -0.01 1.09 -0.11 1.34 1.01 -0.19 -4.56 120.40 118.97 1wsg s VAL 5 Ca 0.26 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1wsg s VAL 5 Cb -0.16 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1wsg s VAL 5 CO 0.12 -0.39 -0.22 -1.61 0.00 0.00 0.00 175.10 173.00 1wsg s GLU 6 N -2.30 3.09 -0.08 2.72 2.02 -0.36 -1.79 118.70 121.99 1wsg s GLU 6 Ca 0.03 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.21 1wsg s GLU 6 Cb -0.06 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 1wsg s GLU 6 CO 0.02 0.16 -0.24 0.42 0.02 0.00 0.00 175.26 175.64 1wsg s ILE 7 N 0.39 2.00 -0.02 -1.63 1.01 -0.48 -0.16 121.20 122.31 1wsg s ILE 7 Ca -0.17 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.55 1wsg s ILE 7 Cb -0.18 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1wsg s ILE 7 CO 0.08 0.55 -0.25 -0.36 0.00 0.00 0.00 174.94 174.96 1wsg s PHE 8 N 0.11 2.36 0.07 3.97 0.08 -0.18 -0.84 117.98 123.56 1wsg s PHE 8 Ca -0.11 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 1wsg s PHE 8 Cb -0.16 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1wsg s PHE 8 CO 0.06 -0.03 0.01 0.95 -0.10 0.00 0.00 175.22 176.11 1wsg s THR 9 N -0.60 0.18 -0.28 0.64 -4.23 -0.76 -0.93 115.64 109.66 1wsg s THR 9 Ca 0.10 -1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 1wsg s THR 9 Cb -0.10 -1.65 0.10 0.00 1.34 0.00 0.00 72.50 72.19 1wsg s THR 9 CO -0.01 -0.84 0.82 -0.62 -0.54 0.00 0.00 174.62 173.44 1wsg s ASP 10 N -2.95 -0.71 0.02 3.99 2.15 -0.24 -4.46 116.67 114.47 1wsg s ASP 10 Ca 0.11 1.23 0.06 0.00 0.43 0.00 0.00 52.55 54.38 1wsg s ASP 10 Cb 0.08 1.27 -0.03 0.00 -0.30 0.00 0.00 42.92 43.94 1wsg s ASP 10 CO -0.07 -0.20 -0.15 -0.83 -0.17 0.00 0.00 175.17 173.76 1wsg s GLY 11 N 1.03 1.61 -0.09 2.66 0.00 -1.26 -0.88 107.32 110.39 1wsg s GLY 11 Ca -0.05 -1.12 -0.07 0.00 0.00 0.00 0.00 44.72 43.48 1wsg s GLY 11 CO -0.12 -0.99 0.23 -0.45 0.00 0.00 0.00 173.10 171.77 1wsg s SER 12 N -1.34 -0.24 -0.01 1.64 0.15 -0.41 -4.78 113.70 108.70 1wsg s SER 12 Ca 0.15 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1wsg s SER 12 Cb -0.11 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1wsg s SER 12 CO 0.05 -0.10 -0.04 0.00 1.20 0.00 0.00 173.24 174.35 1wsg n LEU 14 N 3.28 0.09 0.00 0.00 4.77 0.56 -4.90 117.00 120.80 1wsg n LEU 14 Ca -0.17 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1wsg n LEU 14 Cb 0.56 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1wsg n LEU 14 CO 0.25 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1wsg n GLY 15 N 1.11 3.90 2.73 -0.72 0.00 -1.26 -4.95 105.19 106.00 1wsg n GLY 15 Ca 0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 1wsg n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsg n ASN 16 N 0.00 -3.22 -4.71 1.61 4.05 -1.26 -4.29 115.26 107.44 1wsg n ASN 16 Ca 0.00 -2.92 -0.25 0.00 0.45 0.00 0.00 54.58 51.86 1wsg n ASN 16 Cb 0.00 1.61 0.10 0.00 1.23 0.00 0.00 39.78 42.72 1wsg n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsg s PRO 17 N 0.79 1.79 0.00 1.20 0.04 -1.26 -5.12 135.00 132.44 1wsg s PRO 17 Ca 0.30 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1wsg s PRO 17 Cb 0.02 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1wsg s PRO 17 CO -0.08 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1wsg n GLY 18 N -2.95 -0.85 3.66 0.56 0.00 -0.55 -4.88 105.19 100.18 1wsg n GLY 18 Ca 0.12 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.42 1.87 -4.12 1.61 -0.02 -0.98 -1.04 135.00 131.91 1wsg n PRO 19 Ca 0.00 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1wsg n PRO 19 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 1wsg n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wsg s GLY 20 N -0.05 1.33 0.24 -1.23 0.00 -0.39 -0.32 107.32 106.90 1wsg s GLY 20 Ca 0.63 -1.47 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 1wsg s GLY 20 CO 0.55 -1.06 0.60 -0.32 0.00 0.00 0.00 173.10 172.87 1wsg s GLY 21 N -3.18 -0.01 0.06 0.20 0.00 0.76 -0.43 107.32 104.71 1wsg s GLY 21 Ca 0.32 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1wsg s GLY 21 CO 0.16 -0.23 -0.12 -2.52 0.00 0.00 0.00 173.10 170.39 1wsg s TYR 22 N -3.91 1.08 -0.02 1.90 -0.85 -0.99 -1.29 117.35 113.27 1wsg s TYR 22 Ca 0.12 -0.44 0.02 0.00 -0.52 0.00 0.00 57.07 56.25 1wsg s TYR 22 Cb -0.03 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.70 1wsg s TYR 22 CO 0.03 0.02 -0.06 0.20 -1.52 0.00 0.00 175.55 174.22 1wsg s GLY 23 N -1.56 0.37 -0.02 5.49 0.00 -0.06 -3.01 107.32 108.54 1wsg s GLY 23 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.43 1wsg s GLY 23 CO 0.02 0.06 0.18 0.00 0.00 0.00 0.00 173.10 173.36 1wsg s ALA 24 N 0.31 -0.44 -0.04 3.20 0.00 -0.16 -1.08 121.76 123.56 1wsg s ALA 24 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1wsg s ALA 24 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1wsg s ALA 24 CO -0.00 -0.19 -0.12 0.42 0.00 0.00 0.00 175.76 175.87 1wsg s ILE 25 N -0.97 1.05 -0.24 0.00 1.01 -0.11 -0.89 121.20 121.05 1wsg s ILE 25 Ca -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1wsg s ILE 25 Cb -0.06 -0.92 0.04 0.00 0.01 0.00 0.00 42.46 41.53 1wsg s ILE 25 CO 0.02 0.32 -0.11 -0.22 0.00 0.00 0.00 174.94 174.95 1wsg s LEU 26 N 0.18 3.11 -0.17 2.97 0.20 0.20 -1.01 118.68 124.17 1wsg s LEU 26 Ca -0.04 -1.06 -0.05 0.00 0.69 0.00 0.00 54.13 53.67 1wsg s LEU 26 Cb -0.10 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1wsg s LEU 26 CO 0.01 -0.13 0.00 -0.13 -0.29 0.00 0.00 176.35 175.81 1wsg s ARG 27 N 1.22 3.78 -0.12 1.98 0.52 0.78 -0.33 118.95 126.78 1wsg s ARG 27 Ca -0.03 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1wsg s ARG 27 Cb -0.17 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.30 1wsg s ARG 27 CO -0.06 0.24 0.05 -0.47 0.02 0.00 0.00 175.30 175.07 1wsg s TYR 28 N 0.41 0.48 -1.41 -0.53 6.04 0.43 -1.23 117.35 121.54 1wsg s TYR 28 Ca -0.01 -0.28 -0.09 0.00 0.04 0.00 0.00 57.07 56.72 1wsg s TYR 28 Cb -0.14 -0.75 0.01 0.00 -1.04 0.00 0.00 41.96 40.04 1wsg s TYR 28 CO 0.02 -0.42 0.32 -2.13 -1.54 0.00 0.00 175.55 171.79 1wsg n ARG 29 N 5.20 -1.39 0.00 4.97 3.00 -1.26 -2.26 116.66 124.92 1wsg n ARG 29 Ca -0.07 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1wsg n ARG 29 Cb 0.49 -3.62 0.00 0.00 0.00 0.00 0.00 32.46 29.33 1wsg n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wsg n GLY 30 N -2.26 2.69 3.80 5.14 0.00 -1.26 -5.03 105.19 108.27 1wsg n GLY 30 Ca -0.26 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1wsg n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wsg s ARG 31 N 0.00 2.66 0.03 1.61 3.03 -0.96 -5.03 118.95 120.30 1wsg s ARG 31 Ca 0.00 1.04 -0.04 0.00 2.03 0.00 0.00 55.73 58.76 1wsg s ARG 31 Cb 0.00 -1.95 -0.02 0.00 -1.03 0.00 0.00 34.95 31.95 1wsg s ARG 31 CO 0.00 -1.32 0.05 -1.83 -1.13 0.00 0.00 175.30 171.07 1wsg s GLU 32 N -4.99 0.50 -0.05 3.89 -1.05 -1.26 -0.43 118.70 115.32 1wsg s GLU 32 Ca 0.59 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.75 1wsg s GLU 32 Cb -0.15 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 1wsg s GLU 32 CO 0.55 -0.11 -0.23 0.15 0.95 0.00 0.00 175.26 176.58 1wsg s LYS 33 N -2.28 2.45 0.03 -4.83 1.02 0.55 -4.93 119.74 111.75 1wsg s LYS 33 Ca -0.08 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1wsg s LYS 33 Cb -0.03 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1wsg s LYS 33 CO -0.03 0.47 0.12 0.99 -0.92 0.00 0.00 175.35 175.98 1wsg s THR 34 N -0.38 4.91 -0.02 2.17 2.01 -1.26 -0.63 115.64 122.45 1wsg s THR 34 Ca 0.03 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1wsg s THR 34 Cb -0.12 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1wsg s THR 34 CO 0.02 0.24 0.02 -0.36 -0.69 0.00 0.00 174.62 173.84 1wsg s PHE 35 N -1.33 0.12 -0.10 4.92 0.08 -0.07 -5.00 117.98 116.59 1wsg s PHE 35 Ca 0.28 0.08 -0.25 0.00 0.12 0.00 0.00 56.93 57.16 1wsg s PHE 35 Cb -0.12 -0.27 0.06 0.00 -0.57 0.00 0.00 43.02 42.12 1wsg s PHE 35 CO 0.20 -0.09 0.59 0.45 -0.10 0.00 0.00 175.22 176.26 1wsg s SER 36 N 0.93 -0.56 -0.26 1.36 0.15 -1.26 -0.99 113.70 113.07 1wsg s SER 36 Ca -0.08 0.76 -0.25 0.00 0.70 0.00 0.00 55.95 57.07 1wsg s SER 36 Cb -0.12 0.72 0.10 0.00 -1.71 0.00 0.00 66.02 65.01 1wsg s SER 36 CO -0.02 -0.45 0.87 0.00 1.20 0.00 0.00 173.24 174.83 1wsg s ALA 37 N -0.74 -1.87 -0.02 5.45 0.00 -1.16 -5.00 121.76 118.42 1wsg s ALA 37 Ca -0.08 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1wsg s ALA 37 Cb -0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1wsg s ALA 37 CO 0.06 -0.29 -0.05 0.20 0.00 0.00 0.00 175.76 175.68 1wsg s GLY 38 N 0.19 1.78 -0.01 0.00 0.00 -1.26 -2.33 107.32 105.68 1wsg s GLY 38 Ca 0.01 -0.96 0.06 0.00 0.00 0.00 0.00 44.72 43.83 1wsg s GLY 38 CO -0.02 -0.80 -0.21 -0.19 0.00 0.00 0.00 173.10 171.88 1wsg s TYR 39 N -0.97 1.84 0.28 1.90 1.51 0.42 -1.79 117.35 120.54 1wsg s TYR 39 Ca 0.16 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1wsg s TYR 39 Cb -0.11 -1.18 0.38 0.00 -0.11 0.00 0.00 41.96 40.94 1wsg s TYR 39 CO 0.07 -0.02 1.87 1.79 -1.11 0.00 0.00 175.55 178.15 1wsg h THR 40 N 4.61 1.22 -2.29 -0.71 1.35 -1.15 -1.04 112.91 114.90 1wsg h THR 40 Ca -0.39 -0.64 -0.22 0.00 -0.55 0.00 0.00 66.41 64.61 1wsg h THR 40 Cb 1.14 0.35 -0.32 0.00 -1.73 0.00 0.00 68.15 67.58 1wsg h THR 40 CO 0.48 0.27 -0.53 -0.60 -0.25 0.00 0.00 175.52 174.88 1wsg s ARG 41 N -5.55 0.26 0.00 4.72 3.52 -1.26 -2.33 118.95 118.31 1wsg s ARG 41 Ca -0.11 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1wsg s ARG 41 Cb 0.16 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 1wsg s ARG 41 CO 0.80 -0.57 0.00 -2.37 -0.81 0.00 0.00 175.30 172.35 1wsg n THR 42 N 5.35 0.00 -4.28 4.11 5.66 -0.20 -4.32 114.28 120.60 1wsg n THR 42 Ca -0.05 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.79 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 -2.81 1.35 0.24 1.09 -4.23 -1.26 -1.48 115.64 108.54 1wsg s THR 43 Ca 0.00 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.38 1wsg s THR 43 Cb 0.00 -1.87 0.25 0.00 1.34 0.00 0.00 72.50 72.22 1wsg s THR 43 CO 0.00 -0.67 1.92 -1.13 -0.54 0.00 0.00 174.62 174.20 1wsg h ASN 44 N 2.80 1.13 -0.55 3.99 -1.24 -1.88 -1.80 115.58 118.03 1wsg h ASN 44 Ca -0.37 -0.04 0.03 0.00 0.71 0.00 0.00 56.30 56.63 1wsg h ASN 44 Cb 1.20 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.93 1wsg h ASN 44 CO 0.62 0.83 0.33 0.78 -1.29 0.00 0.00 177.43 178.69 1wsg h ASN 45 N 1.33 0.53 -0.28 1.15 -0.26 -1.96 -1.22 115.58 114.87 1wsg h ASN 45 Ca 0.36 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.96 1wsg h ASN 45 Cb -0.14 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1wsg h ASN 45 CO -0.08 0.37 -0.33 0.03 -1.06 0.00 0.00 177.43 176.36 1wsg h ARG 46 N 0.65 0.81 -0.56 0.81 3.08 -1.88 -2.39 114.38 114.89 1wsg h ARG 46 Ca 0.22 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1wsg h ARG 46 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1wsg h ARG 46 CO -0.10 1.02 0.01 0.52 -1.07 0.00 0.00 179.97 180.34 1wsg h MET 47 N 0.67 0.95 -0.65 0.04 2.86 -1.06 -0.11 114.93 117.64 1wsg h MET 47 Ca 0.07 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1wsg h MET 47 Cb 0.88 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1wsg h MET 47 CO 0.08 0.93 0.31 0.00 1.06 0.00 0.00 176.91 179.29 1wsg h ALA 48 N 1.12 0.84 -0.24 6.32 0.00 -1.11 0.28 119.26 126.47 1wsg h ALA 48 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wsg h ALA 48 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wsg h ALA 48 CO 0.02 0.42 0.03 -0.07 0.00 0.00 0.00 179.25 179.65 1wsg h LEU 49 N 0.91 0.39 -1.08 0.00 3.38 -1.16 -3.13 115.31 114.62 1wsg h LEU 49 Ca 0.22 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1wsg h LEU 49 Cb 0.13 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1wsg h LEU 49 CO -0.03 0.56 0.62 -0.03 0.09 0.00 0.00 178.44 179.65 1wsg h MET 50 N 0.21 1.14 -0.34 1.13 4.05 -0.60 -0.52 114.93 120.00 1wsg h MET 50 Ca 0.07 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1wsg h MET 50 Cb 0.34 -0.26 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1wsg h MET 50 CO 0.01 0.75 0.12 0.00 0.23 0.00 0.00 176.91 178.01 1wsg h ALA 51 N 1.46 0.39 -0.36 0.39 0.00 -0.90 -0.57 119.26 119.67 1wsg h ALA 51 Ca 0.38 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1wsg h ALA 51 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wsg h ALA 51 CO -0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 179.25 178.79 1wsg h ALA 52 N 1.22 0.50 -0.11 0.00 0.00 -1.39 -2.69 119.26 116.79 1wsg h ALA 52 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wsg h ALA 52 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1wsg h ALA 52 CO -0.16 0.32 -0.09 0.82 0.00 0.00 0.00 179.25 180.15 1wsg h ILE 53 N 0.48 0.75 -0.56 0.00 2.04 -0.79 -1.72 117.51 117.70 1wsg h ILE 53 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1wsg h ILE 53 Cb 0.55 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1wsg h ILE 53 CO 0.03 0.00 0.20 0.58 0.00 0.00 0.00 178.15 178.96 1wsg h VAL 54 N -0.10 1.23 -0.26 1.67 2.07 -1.11 -1.35 116.25 118.39 1wsg h VAL 54 Ca 0.07 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1wsg h VAL 54 Cb 0.20 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1wsg h VAL 54 CO -0.17 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.78 1wsg h ALA 55 N 1.06 0.34 -0.56 1.67 0.00 -1.35 -2.84 119.26 117.58 1wsg h ALA 55 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wsg h ALA 55 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wsg h ALA 55 CO -0.01 -0.01 0.18 -0.07 0.00 0.00 0.00 179.25 179.34 1wsg h LEU 56 N 0.25 0.81 -0.28 0.00 3.38 -1.24 -2.76 115.31 115.49 1wsg h LEU 56 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wsg h LEU 56 Cb 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1wsg h LEU 56 CO -0.00 0.80 0.00 -0.62 0.09 0.00 0.00 178.44 178.71 1wsg n GLU 57 N -4.45 0.07 0.04 1.13 1.02 -0.52 -2.11 120.64 115.82 1wsg n GLU 57 Ca 0.03 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.64 1wsg n GLU 57 Cb 0.20 -1.63 0.40 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.60 2.72 -2.46 0.62 0.00 -1.04 -4.82 120.51 113.94 1wsg n ALA 58 Ca 0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1wsg n ALA 58 Cb 0.17 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.58 4.40 -0.09 0.00 1.43 -0.90 -4.94 118.68 115.00 1wsg s LEU 59 Ca 0.11 1.88 0.19 0.00 -1.03 0.00 0.00 54.13 55.29 1wsg s LEU 59 Cb 0.16 -3.58 0.71 0.00 0.03 0.00 0.00 46.19 43.51 1wsg s LEU 59 CO 0.62 -0.33 1.61 0.29 0.23 0.00 0.00 176.35 178.78 1wsg n LYS 60 N 3.60 3.54 -3.44 1.70 4.76 -1.26 -4.95 118.16 122.11 1wsg n LYS 60 Ca 0.06 -2.85 -0.13 0.00 -2.87 0.00 0.00 58.31 52.53 1wsg n LYS 60 Cb 0.48 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.68 1.22 0.22 1.97 -1.05 -1.26 -5.13 118.70 112.99 1wsg s GLU 61 Ca 0.51 -0.34 -0.31 0.00 -0.15 0.00 0.00 54.97 54.68 1wsg s GLU 61 Cb 0.32 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.45 1wsg s GLU 61 CO 0.26 -0.51 1.64 -1.01 0.95 0.00 0.00 175.26 176.60 1wsg s HIS 62 N -3.27 2.91 0.19 4.83 3.76 -1.26 -4.98 115.29 117.46 1wsg s HIS 62 Ca -0.01 0.56 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1wsg s HIS 62 Cb -0.01 -4.06 -0.05 0.00 1.11 0.00 0.00 32.58 29.58 1wsg s HIS 62 CO -0.09 -3.85 0.06 0.00 -0.85 0.00 0.00 174.74 170.01 1wsg s GLU 64 N -4.01 3.79 -0.12 0.00 2.12 -0.87 -0.80 118.70 118.81 1wsg s GLU 64 Ca 0.30 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1wsg s GLU 64 Cb 0.07 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1wsg s GLU 64 CO 0.07 -0.35 -0.14 0.08 -0.54 0.00 0.00 175.26 174.39 1wsg s VAL 65 N 1.91 3.01 -0.49 3.70 1.01 0.15 -1.02 120.40 128.67 1wsg s VAL 65 Ca 0.10 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1wsg s VAL 65 Cb -0.16 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.08 1wsg s VAL 65 CO 0.11 0.53 0.41 -0.63 0.00 0.00 0.00 175.10 175.52 1wsg s ILE 66 N 0.22 4.80 -0.36 2.22 1.01 -0.74 0.58 121.20 128.93 1wsg s ILE 66 Ca -0.09 -1.49 -0.14 0.00 0.00 0.00 0.00 60.65 58.93 1wsg s ILE 66 Cb -0.15 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 1wsg s ILE 66 CO 0.05 -0.75 0.30 -0.22 0.00 0.00 0.00 174.94 174.33 1wsg s LEU 67 N 1.52 4.66 -0.19 2.97 0.20 -0.30 -1.37 118.68 126.16 1wsg s LEU 67 Ca 0.04 -0.50 -0.09 0.00 0.69 0.00 0.00 54.13 54.28 1wsg s LEU 67 Cb -0.27 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 1wsg s LEU 67 CO 0.02 -0.34 0.09 -0.55 -0.29 0.00 0.00 176.35 175.29 1wsg s SER 68 N 1.73 5.89 -0.05 3.68 0.15 -0.02 0.26 113.70 125.34 1wsg s SER 68 Ca 0.08 0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 1wsg s SER 68 Cb -0.17 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1wsg s SER 68 CO 0.11 0.17 0.27 0.28 1.20 0.00 0.00 173.24 175.27 1wsg s THR 69 N 0.39 0.04 -1.18 6.45 -1.32 -0.91 -1.83 115.64 117.28 1wsg s THR 69 Ca 0.05 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1wsg s THR 69 Cb -0.12 -0.51 0.55 0.00 -1.51 0.00 0.00 72.50 70.92 1wsg s THR 69 CO -0.01 -0.18 1.47 -0.90 -2.21 0.00 0.00 174.62 172.79 1wsg n ASP 70 N 1.93 3.90 -4.59 8.08 5.75 -1.26 -2.07 116.55 128.28 1wsg n ASP 70 Ca -0.19 -2.25 -0.43 0.00 -0.01 0.00 0.00 54.79 51.92 1wsg n ASP 70 Cb 0.57 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 1wsg n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsg s SER 71 N -1.07 6.62 0.38 -1.12 0.15 -1.26 -4.57 113.70 112.82 1wsg s SER 71 Ca 0.41 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.59 1wsg s SER 71 Cb 0.25 -2.45 0.75 0.00 -1.71 0.00 0.00 66.02 62.85 1wsg s SER 71 CO 0.23 -0.88 1.90 -0.61 1.20 0.00 0.00 173.24 175.08 1wsg h GLN 72 N 8.61 0.27 -0.46 5.44 5.75 -1.93 -1.78 115.11 131.01 1wsg h GLN 72 Ca -0.24 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 1wsg h GLN 72 Cb 1.08 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1wsg h GLN 72 CO 0.98 0.41 -0.01 -0.92 -2.65 0.00 0.00 178.83 176.63 1wsg h TYR 73 N 0.25 0.90 -0.43 3.99 3.20 -1.99 0.23 116.97 123.12 1wsg h TYR 73 Ca 0.05 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 1wsg h TYR 73 Cb 0.39 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1wsg h TYR 73 CO 0.01 0.87 -0.21 0.28 -1.64 0.00 0.00 178.16 177.46 1wsg h VAL 74 N 0.67 1.27 -0.38 1.81 2.07 -1.86 -0.45 116.25 119.38 1wsg h VAL 74 Ca 0.13 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1wsg h VAL 74 Cb 0.52 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1wsg h VAL 74 CO 0.03 0.46 0.22 -0.09 0.02 0.00 0.00 177.57 178.21 1wsg h ARG 75 N 0.73 0.44 -0.69 1.57 2.43 -1.15 0.13 114.38 117.85 1wsg h ARG 75 Ca 0.10 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1wsg h ARG 75 Cb 0.78 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1wsg h ARG 75 CO 0.06 0.29 0.18 1.96 -1.51 0.00 0.00 179.97 180.95 1wsg h GLN 76 N 0.45 1.09 0.40 0.20 4.20 -0.79 0.42 115.11 121.09 1wsg h GLN 76 Ca 0.15 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1wsg h GLN 76 Cb 0.01 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1wsg h GLN 76 CO -0.07 0.96 -0.19 0.78 -0.67 0.00 0.00 178.83 179.64 1wsg h GLY 77 N 1.03 -0.56 0.75 3.46 0.00 -0.48 0.07 103.07 107.34 1wsg h GLY 77 Ca 0.22 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1wsg h GLY 77 CO -0.00 -0.20 -0.29 -2.22 0.00 0.00 0.00 176.54 173.82 1wsg h ILE 78 N -0.66 0.39 0.00 2.60 1.08 -0.70 0.38 117.51 120.60 1wsg h ILE 78 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1wsg h ILE 78 Cb 0.48 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1wsg h ILE 78 CO 0.09 0.00 0.00 0.71 -0.69 0.00 0.00 178.15 178.26 1wsg h THR 79 N -0.66 0.00 0.00 -0.27 1.35 -0.96 -3.39 112.91 108.97 1wsg h THR 79 Ca -0.03 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1wsg h THR 79 Cb 0.58 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1wsg h THR 79 CO -0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 1wsg n GLN 80 N -2.47 0.85 0.00 4.72 10.64 -0.00 -4.97 117.38 126.15 1wsg n GLN 80 Ca 0.05 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1wsg n GLN 80 Cb 0.44 -0.12 0.00 0.00 -0.86 0.00 0.00 30.24 29.70 1wsg n GLN 80 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1wsg n TRP 81 N -0.12 0.00 -0.17 2.61 8.01 -0.65 -4.83 117.44 122.28 1wsg n TRP 81 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1wsg n TRP 81 Cb 0.02 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.40 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 0.00 0.62 0.04 -0.99 6.09 -0.49 -1.03 117.51 121.76 1wsg h ILE 82 Ca 0.00 -0.06 0.02 0.00 -1.37 0.00 0.00 64.86 63.45 1wsg h ILE 82 Cb 0.71 0.44 -0.05 0.00 0.47 0.00 0.00 36.82 38.39 1wsg h ILE 82 CO 0.00 0.03 -0.52 -0.74 -3.07 0.00 0.00 178.15 173.85 1wsg h HIS 83 N 0.17 -1.50 -0.85 2.19 2.76 -1.83 -2.46 115.15 113.63 1wsg h HIS 83 Ca 0.27 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 1wsg h HIS 83 Cb 0.41 0.65 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 1wsg h HIS 83 CO -0.29 -0.57 0.41 -0.91 -1.30 0.00 0.00 177.93 175.27 1wsg h ASN 84 N -0.69 1.11 -0.34 3.26 2.35 -1.82 -2.57 115.58 116.87 1wsg h ASN 84 Ca 0.01 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1wsg h ASN 84 Cb 0.73 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 1wsg h ASN 84 CO -0.33 0.93 -0.12 -0.50 -1.65 0.00 0.00 177.43 175.76 1wsg h TRP 85 N 1.21 -0.29 -0.10 1.19 6.55 -0.78 -2.11 115.95 121.61 1wsg h TRP 85 Ca 0.29 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.16 1wsg h TRP 85 Cb 0.12 0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1wsg h TRP 85 CO 0.01 -0.19 0.04 0.87 -1.05 0.00 0.00 178.44 178.12 1wsg h LYS 86 N -0.05 0.16 -2.17 0.49 1.57 -1.36 0.61 116.57 115.81 1wsg h LYS 86 Ca 0.17 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.70 1wsg h LYS 86 Cb 0.31 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1wsg h LYS 86 CO -0.38 0.27 0.05 0.00 -0.57 0.00 0.00 179.45 178.82 1wsg n ALA 87 N -2.21 6.09 -0.78 3.86 0.00 -0.82 -2.75 120.51 123.90 1wsg n ALA 87 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1wsg n ALA 87 Cb 0.12 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 2.65 0.00 -2.02 0.00 0.63 -1.06 -4.87 116.66 111.98 1wsg n ARG 88 Ca 0.43 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 57.17 1wsg n ARG 88 Cb 0.79 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.66 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 0.00 0.52 3.21 5.14 0.00 -1.11 -3.25 105.19 109.70 1wsg n GLY 89 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.37 -2.62 -3.93 1.61 7.02 0.21 -5.03 117.44 111.34 1wsg n TRP 90 Ca -0.21 0.94 -0.10 0.00 -1.02 0.00 0.00 57.50 57.11 1wsg n TRP 90 Cb 0.64 -4.07 -0.11 0.00 -2.42 0.00 0.00 31.31 25.35 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 -3.97 0.27 0.00 -0.99 1.02 -1.20 -3.77 119.74 111.10 1wsg s LYS 91 Ca 0.29 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1wsg s LYS 91 Cb -0.04 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1wsg s LYS 91 CO 0.75 -0.05 0.00 0.25 -0.92 0.00 0.00 175.35 175.38 1wsg n THR 92 N 1.96 0.00 0.04 2.17 -2.24 0.22 -4.71 114.28 111.73 1wsg n THR 92 Ca -0.21 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1wsg n THR 92 Cb 0.56 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.02 -0.49 6.98 0.00 -2.00 -3.26 119.26 117.47 1wsg h ALA 93 Ca 0.00 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 1wsg h ALA 93 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1wsg h ALA 93 CO 0.00 -1.01 2.76 -0.40 0.00 0.00 0.00 179.25 180.60 1wsg n ASP 94 N -2.32 8.13 -3.26 0.00 5.68 -1.26 -4.83 116.55 118.68 1wsg n ASP 94 Ca -0.01 -3.01 -0.25 0.00 -0.50 0.00 0.00 54.79 51.02 1wsg n ASP 94 Cb 0.05 -1.41 0.02 0.00 -1.14 0.00 0.00 41.12 38.64 1wsg n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wsg n LYS 95 N 2.23 -1.27 -3.76 0.11 4.76 -1.23 -5.02 118.16 113.99 1wsg n LYS 95 Ca 0.66 1.12 -0.13 0.00 -2.87 0.00 0.00 58.31 57.09 1wsg n LYS 95 Cb 0.25 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.79 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 -1.83 0.49 0.19 1.97 1.02 -1.26 -4.85 119.74 115.47 1wsg s LYS 96 Ca 0.24 0.24 -0.32 0.00 0.02 0.00 0.00 55.97 56.15 1wsg s LYS 96 Cb -0.02 0.23 -0.15 0.00 -0.52 0.00 0.00 37.83 37.37 1wsg s LYS 96 CO 0.54 -0.09 1.23 -2.30 -0.92 0.00 0.00 175.35 173.81 1wsg n PRO 97 N 2.33 1.42 -2.94 -1.68 -0.02 -1.26 0.71 135.00 133.56 1wsg n PRO 97 Ca -0.16 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.44 1wsg n PRO 97 Cb 0.57 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.16 4.35 0.21 -1.45 -7.23 -1.25 -4.69 120.40 110.18 1wsg s VAL 98 Ca 0.72 1.68 -0.31 0.00 -1.81 0.00 0.00 61.98 62.25 1wsg s VAL 98 Cb -0.79 -4.07 -0.11 0.00 0.56 0.00 0.00 36.38 31.96 1wsg s VAL 98 CO 0.51 0.38 1.62 -0.75 -0.31 0.00 0.00 175.10 176.55 1wsg s LYS 99 N -1.51 4.17 -1.23 4.82 2.36 -1.26 -2.44 119.74 124.65 1wsg s LYS 99 Ca 0.41 2.49 -0.04 0.00 -2.55 0.00 0.00 55.97 56.28 1wsg s LYS 99 Cb -0.21 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.48 1wsg s LYS 99 CO 0.25 -0.65 0.52 0.09 1.55 0.00 0.00 175.35 177.11 1wsg n ASN 100 N 3.51 -5.24 -0.17 1.43 3.02 -1.26 -4.91 115.26 111.64 1wsg n ASN 100 Ca 0.13 -0.24 0.05 0.00 -0.03 0.00 0.00 54.58 54.48 1wsg n ASN 100 Cb 0.37 -4.07 0.33 0.00 -0.61 0.00 0.00 39.78 35.81 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 -1.20 1.08 -0.88 2.41 3.04 -1.89 -1.70 116.25 117.11 1wsg h VAL 101 Ca -0.43 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 65.00 1wsg h VAL 101 Cb 1.29 0.21 -0.05 0.00 -2.01 0.00 0.00 31.29 30.74 1wsg h VAL 101 CO 0.45 0.15 0.58 -2.24 -1.01 0.00 0.00 177.57 175.50 1wsg h ASP 102 N 0.80 1.00 0.54 3.17 2.03 -1.91 -0.93 116.42 121.12 1wsg h ASP 102 Ca 0.28 -0.02 -0.29 0.00 -0.73 0.00 0.00 57.03 56.27 1wsg h ASP 102 Cb 0.12 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.36 1wsg h ASP 102 CO -0.08 0.72 -1.42 -0.07 -1.03 0.00 0.00 179.24 177.35 1wsg h LEU 103 N 1.18 0.35 -0.50 0.15 3.38 -1.86 -3.00 115.31 115.01 1wsg h LEU 103 Ca 0.33 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1wsg h LEU 103 Cb -0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1wsg h LEU 103 CO -0.08 1.37 -0.18 -0.50 0.09 0.00 0.00 178.44 179.15 1wsg h TRP 104 N 0.06 1.15 -0.46 1.13 4.06 -1.22 0.34 115.95 121.01 1wsg h TRP 104 Ca -0.20 -0.27 -0.10 0.00 2.06 0.00 0.00 58.89 60.39 1wsg h TRP 104 Cb 1.99 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.86 1wsg h TRP 104 CO 0.06 1.09 -0.11 1.96 -3.56 0.00 0.00 178.44 177.88 1wsg h GLN 105 N 0.87 0.83 -0.25 0.49 4.20 -1.28 0.36 115.11 120.34 1wsg h GLN 105 Ca 0.12 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1wsg h GLN 105 Cb 0.76 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1wsg h GLN 105 CO 0.06 0.91 -0.31 -0.09 -0.67 0.00 0.00 178.83 178.72 1wsg h ARG 106 N 0.75 0.51 -0.11 1.46 2.43 -1.34 -1.90 114.38 116.18 1wsg h ARG 106 Ca 0.12 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1wsg h ARG 106 Cb 0.61 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1wsg h ARG 106 CO 0.04 0.77 -0.16 1.25 -1.51 0.00 0.00 179.97 180.36 1wsg h LEU 107 N 0.44 0.33 -0.90 3.80 5.85 -0.52 -2.72 115.31 121.58 1wsg h LEU 107 Ca 0.05 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.39 1wsg h LEU 107 Cb 0.77 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 1wsg h LEU 107 CO 0.06 0.79 0.51 -0.78 -0.34 0.00 0.00 178.44 178.68 1wsg h ASP 108 N -0.12 0.68 -0.48 1.25 1.82 -0.83 0.25 116.42 118.98 1wsg h ASP 108 Ca 0.01 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.67 1wsg h ASP 108 Cb 0.71 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1wsg h ASP 108 CO 0.04 0.31 0.10 0.00 -1.61 0.00 0.00 179.24 178.08 1wsg h ALA 109 N 1.55 1.16 0.05 -0.78 0.00 -1.25 -1.87 119.26 118.13 1wsg h ALA 109 Ca 0.48 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1wsg h ALA 109 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wsg h ALA 109 CO -0.33 0.56 -1.05 0.00 0.00 0.00 0.00 179.25 178.44 1wsg h ALA 110 N 1.30 0.30 -0.36 0.00 0.00 -0.84 -3.24 119.26 116.42 1wsg h ALA 110 Ca 0.17 -0.81 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 1wsg h ALA 110 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wsg h ALA 110 CO 0.00 0.97 -0.13 -0.07 0.00 0.00 0.00 179.25 180.03 1wsg h LEU 111 N 0.10 0.62 0.00 0.00 3.38 -0.37 -2.57 115.31 116.47 1wsg h LEU 111 Ca -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wsg h LEU 111 Cb 1.74 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1wsg h LEU 111 CO 0.17 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1wsg n GLY 112 N -0.52 -0.91 0.07 0.83 0.00 -0.72 -2.15 105.19 101.78 1wsg n GLY 112 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.49 0.24 -4.26 1.61 1.13 -0.97 -4.96 117.38 108.68 1wsg n GLN 113 Ca 0.03 0.11 -0.16 0.00 -1.94 0.00 0.00 57.00 55.05 1wsg n GLN 113 Cb 0.14 -1.70 -0.09 0.00 0.11 0.00 0.00 30.24 28.70 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 -3.12 1.44 -0.51 1.08 3.76 -0.92 -4.34 115.29 112.68 1wsg s HIS 114 Ca 0.09 -1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 53.38 1wsg s HIS 114 Cb 0.14 -0.70 0.06 0.00 1.11 0.00 0.00 32.58 33.19 1wsg s HIS 114 CO 0.67 -0.64 0.63 -1.14 -0.85 0.00 0.00 174.74 173.41 1wsg s GLN 115 N -3.90 3.12 -0.06 1.40 2.00 0.02 -4.97 119.66 117.27 1wsg s GLN 115 Ca 0.38 -0.93 -0.14 0.00 -2.00 0.00 0.00 55.36 52.68 1wsg s GLN 115 Cb 0.05 -4.11 -0.05 0.00 0.80 0.00 0.00 33.01 29.70 1wsg s GLN 115 CO 0.17 -1.25 0.35 0.42 -0.50 0.00 0.00 175.29 174.48 1wsg s ILE 116 N 2.64 5.17 -0.38 -2.34 -1.09 -1.26 0.35 121.20 124.28 1wsg s ILE 116 Ca 0.15 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.28 1wsg s ILE 116 Cb -0.20 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.14 1wsg s ILE 116 CO 0.11 0.53 0.17 -0.54 -1.23 0.00 0.00 174.94 173.98 1wsg s LYS 117 N -0.64 1.02 0.37 2.79 1.02 0.20 -4.94 119.74 119.56 1wsg s LYS 117 Ca 0.21 -1.57 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 1wsg s LYS 117 Cb -0.15 -2.18 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 1wsg s LYS 117 CO 0.10 -1.08 1.20 -1.58 -0.92 0.00 0.00 175.35 173.07 1wsg s TRP 118 N 0.95 3.11 -0.32 3.18 0.52 -1.26 -1.15 118.94 123.96 1wsg s TRP 118 Ca 0.14 1.53 0.02 0.00 0.02 0.00 0.00 56.10 57.81 1wsg s TRP 118 Cb -0.21 -3.46 0.10 0.00 -1.15 0.00 0.00 33.47 28.75 1wsg s TRP 118 CO -0.11 -1.39 0.06 -2.00 0.02 0.00 0.00 176.95 173.53 1wsg s GLU 119 N -2.09 1.19 -0.66 4.98 2.12 0.14 -4.86 118.70 119.52 1wsg s GLU 119 Ca 0.54 -1.52 -0.26 0.00 0.36 0.00 0.00 54.97 54.09 1wsg s GLU 119 Cb -0.33 -2.70 0.04 0.00 0.26 0.00 0.00 34.13 31.40 1wsg s GLU 119 CO 0.43 -0.94 1.12 -1.58 -0.54 0.00 0.00 175.26 173.74 1wsg s TRP 120 N 1.20 2.53 0.13 5.30 0.52 -1.26 -2.14 118.94 125.23 1wsg s TRP 120 Ca 0.10 -0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.11 1wsg s TRP 120 Cb -0.18 -4.42 -0.05 0.00 -1.15 0.00 0.00 33.47 27.67 1wsg s TRP 120 CO -0.15 -1.75 0.32 0.14 0.02 0.00 0.00 176.95 175.54 1wsg s VAL 121 N 4.83 5.26 -1.06 4.03 -7.23 -0.88 -5.01 120.40 120.35 1wsg s VAL 121 Ca 0.32 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1wsg s VAL 121 Cb -0.11 -3.67 0.23 0.00 0.56 0.00 0.00 36.38 33.40 1wsg s VAL 121 CO 0.16 -0.00 1.10 -0.54 -0.31 0.00 0.00 175.10 175.51 1wsg s LYS 122 N -2.85 4.01 0.15 4.82 3.01 -1.26 -4.14 119.74 123.48 1wsg s LYS 122 Ca 0.38 -2.82 0.00 0.00 -1.01 0.00 0.00 55.97 52.51 1wsg s LYS 122 Cb -0.12 -4.66 0.00 0.00 -1.01 0.00 0.00 37.83 32.04 1wsg s LYS 122 CO 0.27 -1.40 0.00 0.41 0.51 0.00 0.00 175.35 175.15 1wsg n GLY 123 N 3.46 -1.80 0.00 -3.33 0.00 -1.26 -4.71 105.19 97.55 1wsg n GLY 123 Ca 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1wsg n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wsg n HIS 124 N -2.65 0.00 0.00 1.61 8.25 -1.26 -4.75 115.22 116.42 1wsg n HIS 124 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wsg n HIS 124 Cb 0.26 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wsg n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wsg n ALA 125 N -1.26 0.00 -1.46 -1.41 0.00 -1.26 -1.50 120.51 113.62 1wsg n ALA 125 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1wsg n ALA 125 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.00 5.28 2.90 0.00 0.00 -1.26 -4.83 105.19 107.28 1wsg n GLY 126 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1wsg n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wsg s HIS 127 N -3.46 2.93 0.28 1.61 4.02 -0.56 -5.00 115.29 115.10 1wsg s HIS 127 Ca 0.54 -2.88 -0.07 0.00 1.02 0.00 0.00 55.06 53.67 1wsg s HIS 127 Cb 0.45 -2.56 0.48 0.00 -1.02 0.00 0.00 32.58 29.93 1wsg s HIS 127 CO 0.03 -0.80 1.57 -1.35 1.02 0.00 0.00 174.74 175.21 1wsg h PRO 128 N 6.87 0.00 0.32 8.40 0.11 -1.88 0.54 132.00 146.36 1wsg h PRO 128 Ca -0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1wsg h PRO 128 Cb 0.93 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1wsg h PRO 128 CO 0.60 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.17 1wsg h GLU 129 N 0.00 -0.41 -0.81 1.05 3.07 -1.98 -1.06 114.58 114.44 1wsg h GLU 129 Ca 0.48 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1wsg h GLU 129 Cb 0.78 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.74 1wsg h GLU 129 CO -0.96 -0.17 0.50 -0.91 -1.40 0.00 0.00 179.01 176.07 1wsg h ASN 130 N -0.59 0.96 -0.88 1.42 4.21 -1.70 0.14 115.58 119.14 1wsg h ASN 130 Ca -0.04 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.44 1wsg h ASN 130 Cb 0.43 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.34 1wsg h ASN 130 CO 0.07 0.73 0.57 -0.33 -1.29 0.00 0.00 177.43 177.19 1wsg h GLU 131 N 1.11 1.12 -0.53 0.81 4.39 -0.83 -0.05 114.58 120.60 1wsg h GLU 131 Ca 0.29 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1wsg h GLU 131 Cb -0.06 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.32 1wsg h GLU 131 CO -0.06 0.74 0.16 -0.09 -1.16 0.00 0.00 179.01 178.60 1wsg h ARG 132 N 1.15 0.82 -0.84 2.33 2.43 0.23 -2.07 114.38 118.44 1wsg h ARG 132 Ca 0.33 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1wsg h ARG 132 Cb -0.07 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1wsg h ARG 132 CO -0.09 0.76 0.47 0.00 -1.51 0.00 0.00 179.97 179.61 1wsg h ASN 134 N 1.16 0.98 -0.27 0.00 -1.24 -0.69 0.85 115.58 116.38 1wsg h ASN 134 Ca 0.30 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1wsg h ASN 134 Cb -0.00 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 1wsg h ASN 134 CO -0.05 0.87 0.17 -0.33 -1.29 0.00 0.00 177.43 176.80 1wsg h GLU 135 N 1.03 0.34 -0.76 6.67 5.08 -0.75 0.49 114.58 126.69 1wsg h GLU 135 Ca 0.24 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1wsg h GLU 135 Cb 0.18 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1wsg h GLU 135 CO -0.02 0.23 0.28 -0.07 -1.00 0.00 0.00 179.01 178.42 1wsg h LEU 136 N 0.35 1.07 -0.25 1.33 3.38 -1.04 -0.17 115.31 119.97 1wsg h LEU 136 Ca 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1wsg h LEU 136 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1wsg h LEU 136 CO -0.03 0.96 0.07 0.00 0.09 0.00 0.00 178.44 179.54 1wsg h ALA 137 N 1.14 0.33 -0.44 1.53 0.00 -0.41 -1.15 119.26 120.27 1wsg h ALA 137 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wsg h ALA 137 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wsg h ALA 137 CO -0.02 -0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.34 1wsg h ARG 138 N 0.24 0.68 -0.82 0.00 3.08 -0.78 -0.17 114.38 116.61 1wsg h ARG 138 Ca 0.08 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1wsg h ARG 138 Cb 0.25 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1wsg h ARG 138 CO -0.00 0.66 0.52 0.00 -1.07 0.00 0.00 179.97 180.08 1wsg h ALA 139 N 0.99 1.09 -0.34 0.04 0.00 -0.89 -0.49 119.26 119.67 1wsg h ALA 139 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1wsg h ALA 139 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wsg h ALA 139 CO -0.00 0.31 -0.30 0.00 0.00 0.00 0.00 179.25 179.26 1wsg h ALA 140 N 1.36 0.85 -0.11 0.00 0.00 -0.92 -2.76 119.26 117.67 1wsg h ALA 140 Ca 0.34 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wsg h ALA 140 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wsg h ALA 140 CO -0.13 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 1wsg h ALA 141 N 1.06 1.60 -0.00 0.00 0.00 -0.04 -1.48 119.26 120.40 1wsg h ALA 141 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wsg h ALA 141 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1wsg h ALA 141 CO 0.07 0.29 -0.14 -1.33 0.00 0.00 0.00 179.25 178.14 1wsg n MET 142 N -4.32 0.21 -3.09 0.00 2.81 -0.29 -4.14 117.12 108.31 1wsg n MET 142 Ca -0.01 -0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.66 1wsg n MET 142 Cb 0.24 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.35 0.02 -4.74 7.83 4.05 -0.62 -5.09 115.26 115.36 1wsg n ASN 143 Ca 0.09 -3.12 -0.41 0.00 0.45 0.00 0.00 54.58 51.59 1wsg n ASN 143 Cb 0.31 -0.05 -0.03 0.00 1.23 0.00 0.00 39.78 41.25 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 -1.67 4.31 0.00 1.20 0.04 -0.81 -4.65 135.00 133.42 1wsg s PRO 144 Ca 0.36 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1wsg s PRO 144 Cb 0.31 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1wsg s PRO 144 CO -0.08 -0.37 0.21 0.25 0.04 0.00 0.00 177.00 177.05 1wsg n THR 145 N 2.57 0.00 -4.33 1.26 -2.24 -0.79 -4.80 114.28 105.96 1wsg n THR 145 Ca 0.07 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1wsg n THR 145 Cb 0.41 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.68 2.32 -0.09 3.22 1.43 -0.74 -5.01 118.68 119.12 1wsg s LEU 146 Ca 0.00 -1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1wsg s LEU 146 Cb 0.00 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.83 1wsg s LEU 146 CO 0.00 -0.43 0.01 -0.70 0.23 0.00 0.00 176.35 175.46 1wsg s GLU 147 N -3.81 3.08 -1.05 1.70 2.12 -1.26 -0.61 118.70 118.87 1wsg s GLU 147 Ca 0.26 -0.38 -0.21 0.00 0.36 0.00 0.00 54.97 54.99 1wsg s GLU 147 Cb 0.04 -2.85 0.07 0.00 0.26 0.00 0.00 34.13 31.66 1wsg s GLU 147 CO 0.08 0.68 1.43 0.34 -0.54 0.00 0.00 175.26 177.24 1wsg s ASP 148 N -0.81 6.59 0.30 -1.70 3.68 -1.26 -4.84 116.67 118.62 1wsg s ASP 148 Ca 0.12 -1.74 0.05 0.00 2.13 0.00 0.00 52.55 53.12 1wsg s ASP 148 Cb -0.12 -2.53 0.75 0.00 -1.45 0.00 0.00 42.92 39.57 1wsg s ASP 148 CO 0.02 -1.36 1.73 0.74 0.13 0.00 0.00 175.17 176.43 1wsg h THR 149 N 6.39 0.56 -0.01 1.71 2.02 -1.95 -1.35 112.91 120.28 1wsg h THR 149 Ca 0.23 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1wsg h THR 149 Cb 0.99 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1wsg h THR 149 CO 1.37 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.97 1wsg n GLY 150 N -1.33 -0.93 3.65 2.16 0.00 -1.26 -4.78 105.19 102.71 1wsg n GLY 150 Ca 0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.99 3.27 0.00 1.61 6.14 -0.51 -4.99 117.35 120.88 1wsg s TYR 151 Ca 0.23 0.11 0.00 0.00 0.64 0.00 0.00 57.07 58.05 1wsg s TYR 151 Cb 0.10 -2.05 0.00 0.00 0.42 0.00 0.00 41.96 40.43 1wsg s TYR 151 CO 0.17 0.21 0.00 1.04 0.64 0.00 0.00 175.55 177.62 1wsg n GLN 152 N 3.36 0.00 0.00 4.97 3.00 -1.26 -4.96 117.38 122.48 1wsg n GLN 152 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1wsg n GLN 152 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1wsg n GLN 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1wsg n VAL 153 N -0.52 0.00 -3.86 5.09 0.31 -1.26 -5.04 118.33 113.04 1wsg n VAL 153 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1wsg n VAL 153 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.00 -0.77 0.00 5.55 0.28 -1.26 -5.13 120.64 119.31 1wsg n GLU 154 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1wsg n GLU 154 Cb 0.00 -3.25 0.00 0.00 1.43 0.00 0.00 31.44 29.62 1wsg n GLU 154 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30