#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtg s VAL 7 N 0.00 0.97 0.40 2.28 1.01 -1.26 -5.11 120.40 118.68 1wtg s VAL 7 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1wtg s VAL 7 Cb 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 1wtg s VAL 7 CO 0.00 0.23 1.13 0.00 0.00 0.00 0.00 175.10 176.45 1wtg s ALA 8 N -0.37 3.13 0.83 5.51 0.00 -1.26 -4.84 121.76 124.76 1wtg s ALA 8 Ca 0.04 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1wtg s ALA 8 Cb -0.05 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1wtg s ALA 8 CO -0.00 -0.42 1.13 0.00 0.00 0.00 0.00 175.76 176.48 1wtg s ALA 9 N -1.48 1.85 0.18 0.00 0.00 -1.26 -4.79 121.76 116.25 1wtg s ALA 9 Ca 0.57 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 1wtg s ALA 9 Cb -0.28 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1wtg s ALA 9 CO 0.35 -2.27 0.30 1.52 0.00 0.00 0.00 175.76 175.66 1wtg s TYR 10 N -2.64 0.46 -1.41 0.00 -0.85 -0.26 -4.62 117.35 108.03 1wtg s TYR 10 Ca 0.66 -0.81 -0.10 0.00 -0.52 0.00 0.00 57.07 56.30 1wtg s TYR 10 Cb -0.22 -0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.09 1wtg s TYR 10 CO 0.55 -0.75 1.07 0.09 -1.52 0.00 0.00 175.55 174.99 1wtg n ASN 11 N -0.24 -5.16 -4.67 -0.18 3.02 -1.26 -1.38 115.26 105.38 1wtg n ASN 11 Ca -0.06 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 1wtg n ASN 11 Cb 0.63 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.23 1wtg n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wtg s LEU 12 N -7.20 4.38 0.05 3.41 1.02 -1.26 -4.48 118.68 114.60 1wtg s LEU 12 Ca 0.54 2.53 0.05 0.00 0.02 0.00 0.00 54.13 57.28 1wtg s LEU 12 Cb -0.25 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.38 1wtg s LEU 12 CO 0.77 -0.97 -0.15 -0.89 0.02 0.00 0.00 176.35 175.13 1wtg s THR 13 N 3.50 1.22 -0.18 5.49 2.01 0.39 -4.52 115.64 123.56 1wtg s THR 13 Ca 0.79 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 1wtg s THR 13 Cb -0.40 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1wtg s THR 13 CO 0.35 -0.01 0.26 0.26 -0.69 0.00 0.00 174.62 174.79 1wtg s TRP 14 N -0.93 3.43 -0.40 4.92 0.52 -1.26 -0.55 118.94 124.67 1wtg s TRP 14 Ca 0.02 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.67 1wtg s TRP 14 Cb -0.08 -2.31 0.11 0.00 -1.15 0.00 0.00 33.47 30.03 1wtg s TRP 14 CO 0.02 0.22 0.15 0.15 0.02 0.00 0.00 176.95 177.50 1wtg s LYS 15 N 0.55 1.78 -0.07 4.98 -0.14 -0.13 -4.99 119.74 121.71 1wtg s LYS 15 Ca 0.14 -2.00 0.01 0.00 -1.36 0.00 0.00 55.97 52.76 1wtg s LYS 15 Cb -0.13 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.67 1wtg s LYS 15 CO 0.03 -1.02 -0.09 0.45 -0.76 0.00 0.00 175.35 173.96 1wtg s SER 16 N 1.01 1.63 -0.04 2.83 0.15 -1.26 -1.09 113.70 116.93 1wtg s SER 16 Ca 0.11 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1wtg s SER 16 Cb -0.21 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1wtg s SER 16 CO -0.06 -0.03 0.03 -0.89 1.20 0.00 0.00 173.24 173.49 1wtg s THR 17 N 1.01 0.09 -1.33 6.45 2.01 -0.81 -0.74 115.64 122.32 1wtg s THR 17 Ca -0.09 0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1wtg s THR 17 Cb -0.15 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1wtg s THR 17 CO -0.00 0.18 0.32 0.59 -0.69 0.00 0.00 174.62 175.02 1wtg n ASN 18 N 4.81 -4.60 0.00 3.53 3.02 0.46 -1.24 115.26 121.23 1wtg n ASN 18 Ca -0.13 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1wtg n ASN 18 Cb 0.50 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 1wtg n ASN 18 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wtg n PHE 19 N -3.92 0.00 -2.38 3.10 3.72 -1.26 -2.20 117.46 114.51 1wtg n PHE 19 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 1wtg n PHE 19 Cb 0.60 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 1wtg n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1wtg s LYS 20 N -0.04 3.41 -0.20 -1.08 2.47 -0.37 -4.75 119.74 119.18 1wtg s LYS 20 Ca 0.00 0.65 -0.02 0.00 -1.56 0.00 0.00 55.97 55.04 1wtg s LYS 20 Cb 0.00 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.29 1wtg s LYS 20 CO 0.00 -1.79 -0.10 0.99 0.16 0.00 0.00 175.35 174.61 1wtg s THR 21 N 5.81 2.92 -0.09 3.43 2.01 -1.26 -1.92 115.64 126.54 1wtg s THR 21 Ca 0.56 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1wtg s THR 21 Cb -0.12 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1wtg s THR 21 CO 0.28 0.47 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.91 1wtg s ILE 22 N 1.34 1.36 -0.04 1.82 1.01 -0.25 -0.87 121.20 125.57 1wtg s ILE 22 Ca 0.04 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 1wtg s ILE 22 Cb -0.14 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 1wtg s ILE 22 CO -0.06 0.41 0.58 -0.22 0.00 0.00 0.00 174.94 175.66 1wtg s LEU 23 N 0.90 4.36 0.23 2.97 2.96 -0.29 -0.96 118.68 128.85 1wtg s LEU 23 Ca -0.09 1.08 0.10 0.00 -0.22 0.00 0.00 54.13 55.00 1wtg s LEU 23 Cb -0.15 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 1wtg s LEU 23 CO 0.00 0.04 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.27 1wtg s GLU 24 N 0.19 1.51 0.32 1.98 2.02 0.29 -0.68 118.70 124.33 1wtg s GLU 24 Ca 0.31 -1.63 -0.18 0.00 0.02 0.00 0.00 54.97 53.49 1wtg s GLU 24 Cb -0.17 -1.57 0.05 0.00 0.10 0.00 0.00 34.13 32.54 1wtg s GLU 24 CO 0.16 0.30 0.82 1.67 0.02 0.00 0.00 175.26 178.23 1wtg s TRP 25 N -2.37 0.03 0.29 1.61 -2.14 -0.53 -0.46 118.94 115.36 1wtg s TRP 25 Ca 0.24 -0.60 0.07 0.00 2.66 0.00 0.00 56.10 58.47 1wtg s TRP 25 Cb -0.05 0.78 -0.06 0.00 -3.10 0.00 0.00 33.47 31.05 1wtg s TRP 25 CO 0.11 -1.37 -0.05 -1.21 -2.66 0.00 0.00 176.95 171.77 1wtg s GLU 26 N -2.72 1.58 0.00 3.25 2.02 -0.48 -4.79 118.70 117.56 1wtg s GLU 26 Ca 0.15 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1wtg s GLU 26 Cb -0.05 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1wtg s GLU 26 CO 0.09 0.03 0.00 -0.35 0.02 0.00 0.00 175.26 175.05 1wtg n PRO 27 N -0.61 1.89 -2.51 0.39 -0.04 -1.26 -1.10 135.00 131.76 1wtg n PRO 27 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1wtg n PRO 27 Cb 0.64 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.07 1wtg n PRO 27 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1wtg s LYS 28 N 0.07 3.47 -0.31 0.54 -0.14 -1.26 -4.91 119.74 117.20 1wtg s LYS 28 Ca 0.00 0.39 -0.43 0.00 -1.36 0.00 0.00 55.97 54.58 1wtg s LYS 28 Cb 0.00 -4.04 -0.19 0.00 -1.68 0.00 0.00 37.83 31.92 1wtg s LYS 28 CO 0.00 -1.72 1.35 -0.35 -0.76 0.00 0.00 175.35 173.87 1wtg n PRO 29 N 8.43 0.00 -3.74 -1.68 -0.04 -1.26 -4.96 135.00 131.74 1wtg n PRO 29 Ca 0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 1wtg n PRO 29 Cb 0.49 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1wtg n PRO 29 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wtg s VAL 30 N 1.86 1.36 0.00 0.52 1.01 -1.26 -4.71 120.40 119.17 1wtg s VAL 30 Ca 0.96 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1wtg s VAL 30 Cb -1.36 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1wtg s VAL 30 CO 0.70 -0.82 0.00 0.59 0.00 0.00 0.00 175.10 175.57 1wtg n ASN 31 N 3.91 -2.64 -3.84 3.32 5.03 -1.26 -5.05 115.26 114.72 1wtg n ASN 31 Ca 0.06 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.39 1wtg n ASN 31 Cb 0.37 -0.44 -0.11 0.00 -1.02 0.00 0.00 39.78 38.57 1wtg n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wtg s GLN 32 N -1.30 0.31 0.42 3.52 -2.07 -1.26 -4.33 119.66 114.95 1wtg s GLN 32 Ca 0.00 -0.04 0.07 0.00 -1.82 0.00 0.00 55.36 53.57 1wtg s GLN 32 Cb 0.00 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1wtg s GLN 32 CO 0.00 -0.06 0.16 0.14 -1.32 0.00 0.00 175.29 174.21 1wtg s VAL 33 N -0.53 2.23 0.18 3.63 -7.23 0.05 -4.72 120.40 114.01 1wtg s VAL 33 Ca -0.06 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1wtg s VAL 33 Cb -0.04 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 1wtg s VAL 33 CO 0.01 0.00 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.42 1wtg s TYR 34 N -2.62 1.42 -0.09 2.82 2.02 0.60 -1.28 117.35 120.22 1wtg s TYR 34 Ca 0.39 -0.80 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1wtg s TYR 34 Cb 0.04 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1wtg s TYR 34 CO 0.22 0.06 0.20 0.99 -1.57 0.00 0.00 175.55 175.45 1wtg s THR 35 N -3.33 -0.04 0.02 -0.71 2.01 -1.04 -0.28 115.64 112.27 1wtg s THR 35 Ca 0.22 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 1wtg s THR 35 Cb 0.03 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1wtg s THR 35 CO 0.04 0.06 0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 1wtg s VAL 36 N 1.19 4.98 -0.01 3.82 1.01 -0.50 -0.78 120.40 130.11 1wtg s VAL 36 Ca -0.09 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1wtg s VAL 36 Cb -0.11 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1wtg s VAL 36 CO -0.07 0.26 -0.13 -1.10 0.00 0.00 0.00 175.10 174.05 1wtg s GLN 37 N -2.06 1.14 0.10 2.72 -0.21 -0.61 0.53 119.66 121.27 1wtg s GLN 37 Ca 0.27 -0.48 0.05 0.00 0.02 0.00 0.00 55.36 55.23 1wtg s GLN 37 Cb -0.12 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 1wtg s GLN 37 CO 0.19 0.27 -0.13 -1.50 -2.12 0.00 0.00 175.29 172.00 1wtg s ILE 38 N -0.24 1.19 0.17 1.08 2.07 0.14 -1.23 121.20 124.39 1wtg s ILE 38 Ca 0.04 -1.59 -0.23 0.00 -1.41 0.00 0.00 60.65 57.45 1wtg s ILE 38 Cb -0.06 -1.37 0.07 0.00 0.13 0.00 0.00 42.46 41.22 1wtg s ILE 38 CO -0.00 -0.39 0.99 -0.94 -1.91 0.00 0.00 174.94 172.69 1wtg s SER 39 N -2.26 -0.09 0.22 4.50 1.04 -0.60 -0.85 113.70 115.66 1wtg s SER 39 Ca 0.05 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1wtg s SER 39 Cb -0.06 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1wtg s SER 39 CO 0.02 -0.97 0.11 0.42 0.98 0.00 0.00 173.24 173.81 1wtg s THR 40 N -2.75 4.13 0.36 2.02 -4.23 -1.26 -1.30 115.64 112.60 1wtg s THR 40 Ca 0.16 -1.44 0.14 0.00 -1.18 0.00 0.00 61.69 59.37 1wtg s THR 40 Cb -0.02 -3.17 0.35 0.00 1.34 0.00 0.00 72.50 71.00 1wtg s THR 40 CO 0.04 -0.26 1.75 0.50 -0.54 0.00 0.00 174.62 176.11 1wtg h LYS 41 N 1.98 0.49 -0.06 3.99 3.64 -1.98 -1.11 116.57 123.52 1wtg h LYS 41 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1wtg h LYS 41 Cb 1.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1wtg h LYS 41 CO 0.61 0.32 0.00 0.43 -2.27 0.00 0.00 179.45 178.54 1wtg n SER 42 N -4.76 2.71 -4.99 4.20 7.64 -1.26 -5.00 113.62 112.17 1wtg n SER 42 Ca 0.26 -1.83 -0.20 0.00 1.01 0.00 0.00 58.87 58.11 1wtg n SER 42 Cb 0.80 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.99 1wtg n SER 42 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wtg s GLY 43 N -1.60 1.77 0.77 0.23 0.00 -0.42 -5.09 107.32 102.97 1wtg s GLY 43 Ca 0.24 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 1wtg s GLY 43 CO 0.25 -1.24 1.08 0.99 0.00 0.00 0.00 173.10 174.18 1wtg s ASP 44 N -4.31 4.68 -0.02 1.64 1.01 -1.26 -4.48 116.67 113.92 1wtg s ASP 44 Ca 0.52 1.53 -0.24 0.00 0.71 0.00 0.00 52.55 55.07 1wtg s ASP 44 Cb -0.10 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1wtg s ASP 44 CO 0.35 -1.88 0.73 0.26 0.21 0.00 0.00 175.17 174.83 1wtg s TRP 45 N -3.04 3.64 -0.11 4.23 0.52 -1.26 -4.55 118.94 118.37 1wtg s TRP 45 Ca 0.60 1.34 0.00 0.00 0.02 0.00 0.00 56.10 58.06 1wtg s TRP 45 Cb -0.15 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1wtg s TRP 45 CO 0.55 0.16 -0.12 0.21 0.02 0.00 0.00 176.95 177.77 1wtg s LYS 46 N 0.47 3.15 0.32 4.98 2.20 -0.03 -4.92 119.74 125.92 1wtg s LYS 46 Ca 0.38 -0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 1wtg s LYS 46 Cb -0.19 -2.60 -0.09 0.00 -1.51 0.00 0.00 37.83 33.44 1wtg s LYS 46 CO 0.20 0.35 0.74 -1.12 -0.36 0.00 0.00 175.35 175.16 1wtg s SER 47 N -0.01 6.80 0.07 1.43 0.01 -1.26 -0.68 113.70 120.05 1wtg s SER 47 Ca -0.03 1.30 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 1wtg s SER 47 Cb -0.14 -2.38 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wtg s SER 47 CO 0.04 -0.20 0.17 -0.54 0.41 0.00 0.00 173.24 173.13 1wtg s LYS 48 N -2.93 0.78 -1.26 12.44 -0.14 0.19 -4.94 119.74 123.88 1wtg s LYS 48 Ca 0.54 -0.88 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 1wtg s LYS 48 Cb -0.11 0.31 0.01 0.00 -1.68 0.00 0.00 37.83 36.37 1wtg s LYS 48 CO 0.17 -0.23 0.61 0.00 -0.76 0.00 0.00 175.35 175.14 1wtg n PHE 50 N -4.51 2.36 -4.07 0.00 3.72 -1.26 -2.86 117.46 110.83 1wtg n PHE 50 Ca -0.17 -0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 56.88 1wtg n PHE 50 Cb 0.61 -2.68 -0.02 0.00 -0.94 0.00 0.00 39.48 36.46 1wtg n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wtg n TYR 51 N 6.58 -1.80 -2.99 1.38 4.01 -0.13 -4.95 117.16 119.26 1wtg n TYR 51 Ca 0.22 0.80 -0.33 0.00 -0.16 0.00 0.00 57.90 58.43 1wtg n TYR 51 Cb 0.31 -3.42 -0.06 0.00 -0.31 0.00 0.00 39.34 35.86 1wtg n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1wtg s THR 52 N -3.54 4.53 -2.57 -0.72 -1.32 0.61 -4.61 115.64 108.02 1wtg s THR 52 Ca 0.45 1.22 0.23 0.00 -1.21 0.00 0.00 61.69 62.38 1wtg s THR 52 Cb -0.24 -3.64 0.11 0.00 -1.51 0.00 0.00 72.50 67.23 1wtg s THR 52 CO 0.90 -0.20 1.17 0.35 -2.21 0.00 0.00 174.62 174.63 1wtg n THR 53 N -0.38 0.00 -1.51 5.08 -2.24 -1.26 -0.29 114.28 113.68 1wtg n THR 53 Ca 0.05 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1wtg n THR 53 Cb 0.53 1.40 0.14 0.00 -2.10 0.00 0.00 70.33 70.30 1wtg n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wtg s ASP 54 N -2.11 3.48 -0.31 3.42 1.01 -1.26 -4.67 116.67 116.23 1wtg s ASP 54 Ca 0.24 0.98 0.07 0.00 0.71 0.00 0.00 52.55 54.55 1wtg s ASP 54 Cb 0.19 -1.57 0.46 0.00 1.01 0.00 0.00 42.92 43.01 1wtg s ASP 54 CO 0.39 -2.57 1.33 0.35 0.21 0.00 0.00 175.17 174.87 1wtg n THR 55 N -3.78 2.58 -3.70 -1.27 -2.24 -1.26 -4.85 114.28 99.76 1wtg n THR 55 Ca 0.06 -3.62 -0.10 0.00 -2.27 0.00 0.00 64.05 58.12 1wtg n THR 55 Cb 0.59 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 1wtg n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wtg s GLU 56 N -3.48 0.99 -0.23 -0.78 -1.05 -1.26 -1.46 118.70 111.42 1wtg s GLU 56 Ca 0.49 -0.74 -0.07 0.00 -0.15 0.00 0.00 54.97 54.49 1wtg s GLU 56 Cb 0.41 0.43 0.11 0.00 -0.44 0.00 0.00 34.13 34.64 1wtg s GLU 56 CO 0.00 -0.37 0.49 0.00 0.95 0.00 0.00 175.26 176.34 1wtg s ASP 58 N 2.70 6.94 -0.09 0.00 2.15 -1.26 -1.14 116.67 125.98 1wtg s ASP 58 Ca -0.01 1.88 0.13 0.00 0.43 0.00 0.00 52.55 54.98 1wtg s ASP 58 Cb -0.12 -2.55 0.20 0.00 -0.30 0.00 0.00 42.92 40.15 1wtg s ASP 58 CO -0.15 -0.69 1.11 0.18 -0.17 0.00 0.00 175.17 175.45 1wtg n LEU 59 N 5.80 2.30 0.02 -1.34 4.77 -0.05 -4.81 117.00 123.69 1wtg n LEU 59 Ca 0.13 -2.71 -0.10 0.00 -0.03 0.00 0.00 56.01 53.30 1wtg n LEU 59 Cb 0.45 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1wtg n LEU 59 CO 0.57 0.64 0.75 0.74 -1.33 0.00 0.00 177.39 178.75 1wtg h THR 60 N 0.11 0.56 -0.26 -5.08 2.02 -1.79 -1.97 112.91 106.50 1wtg h THR 60 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1wtg h THR 60 Cb 0.85 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1wtg h THR 60 CO 0.01 0.00 0.19 0.44 0.37 0.00 0.00 175.52 176.53 1wtg h ASP 61 N -0.24 0.00 0.00 4.18 3.32 -1.91 -1.64 116.42 120.13 1wtg h ASP 61 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1wtg h ASP 61 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1wtg h ASP 61 CO -0.23 0.00 -0.17 -0.33 -1.72 0.00 0.00 179.24 176.80 1wtg h GLU 62 N 0.00 0.01 0.00 3.56 4.39 -1.82 -3.37 114.58 117.35 1wtg h GLU 62 Ca 0.12 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1wtg h GLU 62 Cb 0.50 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1wtg h GLU 62 CO -0.00 1.01 -0.28 -0.84 -1.16 0.00 0.00 179.01 177.73 1wtg h ILE 63 N -0.98 0.95 0.00 3.13 -0.00 -1.14 -2.52 117.51 116.95 1wtg h ILE 63 Ca -0.04 -1.07 0.00 0.00 -0.00 0.00 0.00 64.86 63.75 1wtg h ILE 63 Cb 1.06 1.62 0.00 0.00 -0.00 0.00 0.00 36.82 39.49 1wtg h ILE 63 CO -0.02 0.28 0.00 1.33 -0.00 0.00 0.00 178.15 179.74 1wtg n VAL 64 N -3.84 0.71 0.22 0.16 0.24 -0.64 -2.51 118.33 112.68 1wtg n VAL 64 Ca -0.01 0.18 0.05 0.00 -2.04 0.00 0.00 64.34 62.52 1wtg n VAL 64 Cb 0.37 -0.87 0.50 0.00 -1.47 0.00 0.00 33.84 32.37 1wtg n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1wtg h LYS 65 N 0.00 0.00 -0.87 7.34 1.57 -1.60 -3.39 116.57 119.62 1wtg h LYS 65 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wtg h LYS 65 Cb 0.29 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.41 1wtg h LYS 65 CO 0.00 0.20 -0.38 0.34 -0.57 0.00 0.00 179.45 179.04 1wtg s ASP 66 N -6.94 -1.36 0.44 0.86 -1.08 -1.04 -5.03 116.67 102.51 1wtg s ASP 66 Ca -0.04 -0.54 0.30 0.00 -0.52 0.00 0.00 52.55 51.76 1wtg s ASP 66 Cb 0.15 1.75 1.49 0.00 -1.46 0.00 0.00 42.92 44.85 1wtg s ASP 66 CO 0.69 -0.17 1.92 -0.37 0.52 0.00 0.00 175.17 177.77 1wtg h VAL 67 N 4.91 0.00 -0.01 1.11 -1.51 -1.72 -2.56 116.25 116.48 1wtg h VAL 67 Ca 0.03 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1wtg h VAL 67 Cb 1.19 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1wtg h VAL 67 CO 0.08 0.00 -0.26 0.29 -1.23 0.00 0.00 177.57 176.45 1wtg n LYS 68 N -2.63 0.84 -1.82 5.19 5.02 -1.26 -0.62 118.16 122.88 1wtg n LYS 68 Ca -0.01 -0.50 -0.30 0.00 -2.02 0.00 0.00 58.31 55.48 1wtg n LYS 68 Cb 0.15 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 1wtg n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wtg s GLN 69 N -2.50 2.93 -0.25 1.97 -1.52 -0.97 -4.95 119.66 114.37 1wtg s GLN 69 Ca 0.24 0.58 -0.06 0.00 -1.95 0.00 0.00 55.36 54.17 1wtg s GLN 69 Cb 0.19 -2.02 -0.02 0.00 -0.22 0.00 0.00 33.01 30.95 1wtg s GLN 69 CO 0.52 -1.01 0.04 0.99 -0.25 0.00 0.00 175.29 175.58 1wtg s THR 70 N -3.28 3.97 0.09 -0.19 2.01 -1.26 -4.22 115.64 112.77 1wtg s THR 70 Ca 0.58 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1wtg s THR 70 Cb -0.12 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1wtg s THR 70 CO 0.53 0.33 0.12 -0.31 -0.69 0.00 0.00 174.62 174.60 1wtg s TYR 71 N 1.56 3.25 -0.01 4.92 1.51 -0.06 -4.04 117.35 124.49 1wtg s TYR 71 Ca 0.06 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.25 1wtg s TYR 71 Cb -0.15 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1wtg s TYR 71 CO 0.01 0.53 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.68 1wtg s LEU 72 N -2.58 2.04 0.14 -1.29 2.96 -0.42 -0.55 118.68 118.99 1wtg s LEU 72 Ca 0.31 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1wtg s LEU 72 Cb -0.12 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1wtg s LEU 72 CO 0.24 0.16 -0.11 0.00 -1.32 0.00 0.00 176.35 175.31 1wtg s ALA 73 N -0.38 1.44 -0.03 5.97 0.00 -1.26 -1.56 121.76 125.94 1wtg s ALA 73 Ca 0.05 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1wtg s ALA 73 Cb -0.06 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1wtg s ALA 73 CO -0.00 -0.04 0.20 -0.98 0.00 0.00 0.00 175.76 174.93 1wtg s ARG 74 N -3.39 0.44 -0.26 0.00 1.70 -0.36 -0.40 118.95 116.67 1wtg s ARG 74 Ca 0.14 -0.12 -0.05 0.00 -0.47 0.00 0.00 55.73 55.23 1wtg s ARG 74 Cb 0.00 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1wtg s ARG 74 CO 0.01 -0.10 0.02 0.08 -1.08 0.00 0.00 175.30 174.23 1wtg s VAL 75 N -0.85 3.65 0.14 4.99 1.01 -0.62 -1.58 120.40 127.14 1wtg s VAL 75 Ca -0.09 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1wtg s VAL 75 Cb -0.05 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 1wtg s VAL 75 CO 0.02 0.23 0.71 -0.36 0.00 0.00 0.00 175.10 175.70 1wtg s PHE 76 N 1.48 3.87 -0.08 5.22 0.08 0.04 -2.72 117.98 125.88 1wtg s PHE 76 Ca 0.04 1.52 0.02 0.00 0.12 0.00 0.00 56.93 58.62 1wtg s PHE 76 Cb -0.16 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1wtg s PHE 76 CO -0.00 0.53 -0.13 -1.12 -0.10 0.00 0.00 175.22 174.40 1wtg s SER 77 N -1.15 4.13 0.04 1.36 0.01 -0.19 -2.50 113.70 115.40 1wtg s SER 77 Ca 0.34 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.43 1wtg s SER 77 Cb -0.22 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 1wtg s SER 77 CO 0.24 0.29 -0.12 -0.31 0.41 0.00 0.00 173.24 173.75 1wtg s TYR 78 N -0.41 1.04 0.39 2.43 2.02 -0.41 -4.09 117.35 118.33 1wtg s TYR 78 Ca 0.05 -0.37 0.18 0.00 -0.37 0.00 0.00 57.07 56.56 1wtg s TYR 78 Cb -0.12 -0.62 1.01 0.00 -0.40 0.00 0.00 41.96 41.83 1wtg s TYR 78 CO 0.02 0.01 1.94 -1.00 -1.57 0.00 0.00 175.55 174.95 1wtg h PRO 79 N 4.88 0.00 -4.94 -1.71 0.13 -1.86 0.19 132.00 128.69 1wtg h PRO 79 Ca -0.37 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 1wtg h PRO 79 Cb 1.19 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.42 1wtg h PRO 79 CO 0.43 0.25 -0.54 0.39 -0.23 0.00 0.00 178.00 178.30 1wtg n GLU 91 N -3.98 0.00 -1.67 0.86 1.02 -1.26 -4.42 120.64 111.19 1wtg n GLU 91 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 1wtg n GLU 91 Cb 0.32 -0.82 0.05 0.00 -0.02 0.00 0.00 31.44 30.97 1wtg n GLU 91 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wtg s PRO 92 N -0.82 2.80 0.49 3.49 0.04 -1.26 -5.01 135.00 134.73 1wtg s PRO 92 Ca 0.51 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 1wtg s PRO 92 Cb -0.69 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 1wtg s PRO 92 CO 0.48 -1.22 1.16 -0.51 0.04 0.00 0.00 177.00 176.95 1wtg s LEU 93 N -5.15 3.92 0.26 -3.56 1.43 -1.26 -4.87 118.68 109.45 1wtg s LEU 93 Ca 0.63 2.29 -0.21 0.00 -1.03 0.00 0.00 54.13 55.81 1wtg s LEU 93 Cb -0.18 -4.35 0.04 0.00 0.03 0.00 0.00 46.19 41.73 1wtg s LEU 93 CO 0.46 -1.06 0.82 -0.72 0.23 0.00 0.00 176.35 176.08 1wtg s TYR 94 N -1.60 -0.09 -0.02 0.29 1.13 -1.26 -1.02 117.35 114.77 1wtg s TYR 94 Ca 0.67 -0.37 -0.03 0.00 -1.41 0.00 0.00 57.07 55.94 1wtg s TYR 94 Cb -0.28 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1wtg s TYR 94 CO 0.33 -1.18 0.07 -2.00 -2.51 0.00 0.00 175.55 170.27 1wtg s GLU 95 N -3.31 0.15 0.29 -3.49 2.56 -1.10 -4.82 118.70 108.99 1wtg s GLU 95 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.97 55.02 1wtg s GLU 95 Cb -0.04 0.07 -0.06 0.00 2.00 0.00 0.00 34.13 36.10 1wtg s GLU 95 CO 0.07 -0.03 0.58 -0.80 -0.56 0.00 0.00 175.26 174.52 1wtg s ASN 96 N -0.26 6.48 0.55 -1.70 0.01 -1.26 -1.59 114.94 117.17 1wtg s ASN 96 Ca -0.03 0.79 0.05 0.00 -0.71 0.00 0.00 52.86 52.96 1wtg s ASN 96 Cb -0.02 -2.18 0.06 0.00 0.41 0.00 0.00 41.25 39.52 1wtg s ASN 96 CO 0.00 -0.20 0.76 -0.94 -1.51 0.00 0.00 177.10 175.21 1wtg s SER 97 N -3.04 5.17 0.83 -1.22 1.04 0.46 -4.84 113.70 112.10 1wtg s SER 97 Ca 0.45 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 1wtg s SER 97 Cb -0.11 -0.32 0.09 0.00 0.10 0.00 0.00 66.02 65.79 1wtg s SER 97 CO 0.29 -1.22 1.10 -2.84 0.98 0.00 0.00 173.24 171.55 1wtg s PRO 98 N -4.68 1.80 0.56 4.02 0.02 -1.26 -4.67 135.00 130.79 1wtg s PRO 98 Ca 0.60 0.61 -0.18 0.00 0.02 0.00 0.00 61.00 62.04 1wtg s PRO 98 Cb -0.08 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1wtg s PRO 98 CO 0.38 -1.81 1.10 -1.21 -0.33 0.00 0.00 177.00 175.13 1wtg s GLU 99 N -5.14 3.32 -0.07 5.54 2.02 -1.26 -4.61 118.70 118.50 1wtg s GLU 99 Ca 0.62 1.47 -0.02 0.00 0.02 0.00 0.00 54.97 57.05 1wtg s GLU 99 Cb -0.15 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.10 1wtg s GLU 99 CO 0.54 -0.85 0.04 0.12 0.02 0.00 0.00 175.26 175.14 1wtg s PHE 100 N -2.02 0.30 -0.45 1.61 5.36 0.29 -4.96 117.98 118.11 1wtg s PHE 100 Ca 0.69 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.65 1wtg s PHE 100 Cb -0.21 -0.62 0.12 0.00 -0.34 0.00 0.00 43.02 41.97 1wtg s PHE 100 CO 0.30 -0.28 0.26 0.99 -1.46 0.00 0.00 175.22 175.03 1wtg s THR 101 N 2.09 3.47 0.12 0.12 2.01 -1.26 -0.88 115.64 121.31 1wtg s THR 101 Ca 0.04 -2.18 -0.25 0.00 0.31 0.00 0.00 61.69 59.61 1wtg s THR 101 Cb -0.13 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1wtg s THR 101 CO -0.05 -0.73 1.43 -0.65 -0.69 0.00 0.00 174.62 173.93 1wtg h PRO 102 N 7.92 -0.05 -1.02 4.92 0.11 -1.72 -0.74 132.00 141.43 1wtg h PRO 102 Ca -0.12 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.25 1wtg h PRO 102 Cb 1.03 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 1wtg h PRO 102 CO 0.72 -0.03 0.67 -0.92 -0.21 0.00 0.00 178.00 178.23 1wtg h TYR 103 N -0.05 0.57 0.00 0.65 3.20 -1.20 0.14 116.97 120.28 1wtg h TYR 103 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1wtg h TYR 103 Cb 0.35 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1wtg h TYR 103 CO -0.96 0.07 -1.27 1.28 -1.64 0.00 0.00 178.16 175.64 1wtg n LEU 104 N -4.56 0.53 0.00 2.82 4.77 -0.74 -4.68 117.00 115.14 1wtg n LEU 104 Ca 0.24 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1wtg n LEU 104 Cb 0.87 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1wtg n LEU 104 CO 0.28 -0.03 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.25 1wtg n GLU 105 N -2.23 1.27 -1.71 3.23 1.02 -0.36 -4.68 120.64 117.18 1wtg n GLU 105 Ca -0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1wtg n GLU 105 Cb 0.50 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 1wtg n GLU 105 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1wtg n THR 106 N -1.41 0.27 -2.12 2.62 5.66 -0.04 -4.88 114.28 114.38 1wtg n THR 106 Ca 0.00 -0.07 -0.39 0.00 -3.05 0.00 0.00 64.05 60.54 1wtg n THR 106 Cb 0.08 -1.83 -0.01 0.00 -1.55 0.00 0.00 70.33 67.03 1wtg n THR 106 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1wtg s ASN 107 N 0.91 6.35 -0.15 1.09 0.01 0.08 -4.72 114.94 118.50 1wtg s ASN 107 Ca 0.73 2.56 -0.27 0.00 -0.71 0.00 0.00 52.86 55.17 1wtg s ASN 107 Cb -0.56 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.46 1wtg s ASN 107 CO 0.38 -0.81 0.91 -0.76 -1.51 0.00 0.00 177.10 175.31 1wtg s LEU 108 N -2.48 4.19 0.91 0.60 1.43 -1.26 -0.41 118.68 121.67 1wtg s LEU 108 Ca 0.57 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1wtg s LEU 108 Cb -0.36 -3.38 0.14 0.00 0.03 0.00 0.00 46.19 42.63 1wtg s LEU 108 CO 0.45 -0.45 1.12 -0.83 0.23 0.00 0.00 176.35 176.88 1wtg s GLY 109 N 1.14 1.67 0.09 -3.19 0.00 -1.26 -4.41 107.32 101.35 1wtg s GLY 109 Ca 0.42 0.40 -0.31 0.00 0.00 0.00 0.00 44.72 45.24 1wtg s GLY 109 CO 0.13 0.84 1.81 1.62 0.00 0.00 0.00 173.10 177.50 1wtg s GLN 110 N -4.71 4.15 0.98 2.90 0.74 -1.26 -4.70 119.66 117.76 1wtg s GLN 110 Ca 0.65 2.53 -0.13 0.00 0.05 0.00 0.00 55.36 58.47 1wtg s GLN 110 Cb -0.21 -3.71 0.17 0.00 1.10 0.00 0.00 33.01 30.36 1wtg s GLN 110 CO 0.58 -0.84 1.11 -2.14 -0.55 0.00 0.00 175.29 173.46 1wtg s PRO 111 N 3.06 0.61 -0.04 1.67 0.02 -1.26 -4.99 135.00 134.07 1wtg s PRO 111 Ca 0.80 0.37 -0.00 0.00 0.02 0.00 0.00 61.00 62.20 1wtg s PRO 111 Cb -0.44 -1.77 0.03 0.00 0.02 0.00 0.00 34.50 32.34 1wtg s PRO 111 CO 0.36 -2.57 -0.00 0.99 -0.33 0.00 0.00 177.00 175.45 1wtg s THR 112 N -3.11 0.26 -0.21 0.99 2.01 -1.26 -4.29 115.64 110.03 1wtg s THR 112 Ca 0.65 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1wtg s THR 112 Cb -0.17 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1wtg s THR 112 CO 0.56 0.19 1.36 -0.63 -0.69 0.00 0.00 174.62 175.41 1wtg s ILE 113 N 1.40 4.10 0.12 1.82 1.01 -1.26 -1.35 121.20 127.03 1wtg s ILE 113 Ca -0.04 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.83 1wtg s ILE 113 Cb -0.13 -3.97 -0.19 0.00 0.01 0.00 0.00 42.46 38.18 1wtg s ILE 113 CO -0.03 -0.27 1.29 -0.61 0.00 0.00 0.00 174.94 175.32 1wtg h GLN 114 N 9.05 0.45 0.00 2.79 4.15 -1.05 -3.46 115.11 127.05 1wtg h GLN 114 Ca -0.28 -0.49 0.33 0.00 0.77 0.00 0.00 58.65 58.98 1wtg h GLN 114 Cb 1.11 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.88 1wtg h GLN 114 CO 1.00 1.14 0.86 -1.13 -1.93 0.00 0.00 178.83 178.76 1wtg n SER 115 N -3.76 -1.08 -3.46 -0.69 3.41 -1.12 -5.00 113.62 101.92 1wtg n SER 115 Ca -0.07 -1.20 0.01 0.00 -0.26 0.00 0.00 58.87 57.35 1wtg n SER 115 Cb 0.84 1.67 -0.04 0.00 -0.26 0.00 0.00 64.21 66.42 1wtg n SER 115 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1wtg s PHE 116 N -2.08 -0.81 -0.08 7.33 -0.12 -1.24 -0.76 117.98 120.21 1wtg s PHE 116 Ca 0.28 1.41 0.03 0.00 -0.05 0.00 0.00 56.93 58.61 1wtg s PHE 116 Cb -0.01 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1wtg s PHE 116 CO -0.01 -0.40 -0.18 -1.83 -0.05 0.00 0.00 175.22 172.75 1wtg s GLU 117 N 2.51 2.86 -0.08 1.99 -1.05 -0.79 -4.90 118.70 119.24 1wtg s GLU 117 Ca -0.03 -0.78 -0.18 0.00 -0.15 0.00 0.00 54.97 53.83 1wtg s GLU 117 Cb -0.07 -2.38 -0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1wtg s GLU 117 CO -0.18 0.37 0.49 -1.14 0.95 0.00 0.00 175.26 175.75 1wtg s GLN 118 N -0.09 4.28 -0.40 -4.83 0.74 -1.26 -1.20 119.66 116.89 1wtg s GLN 118 Ca -0.04 0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.89 1wtg s GLN 118 Cb -0.14 -3.39 0.12 0.00 1.10 0.00 0.00 33.01 30.70 1wtg s GLN 118 CO 0.04 0.26 0.19 0.08 -0.55 0.00 0.00 175.29 175.31 1wtg s VAL 119 N 0.27 1.30 0.00 1.34 1.01 0.54 -5.00 120.40 119.86 1wtg s VAL 119 Ca 0.27 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1wtg s VAL 119 Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1wtg s VAL 119 CO 0.12 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1wtg n GLY 120 N 3.91 1.50 0.93 4.51 0.00 -1.26 -2.58 105.19 112.20 1wtg n GLY 120 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1wtg n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wtg n THR 121 N 0.00 2.20 -4.11 2.61 5.66 -1.26 -4.89 114.28 114.48 1wtg n THR 121 Ca 0.00 -1.78 -0.11 0.00 -3.05 0.00 0.00 64.05 59.11 1wtg n THR 121 Cb 0.00 -0.19 -0.11 0.00 -1.55 0.00 0.00 70.33 68.49 1wtg n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wtg s LYS 122 N -2.66 0.68 -0.05 1.09 1.02 -1.06 -1.78 119.74 116.96 1wtg s LYS 122 Ca 0.41 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 55.34 1wtg s LYS 122 Cb 0.33 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1wtg s LYS 122 CO 0.10 -0.01 -0.12 0.08 -0.92 0.00 0.00 175.35 174.48 1wtg s VAL 123 N -2.81 1.06 -0.42 3.17 1.01 -0.24 -0.34 120.40 121.83 1wtg s VAL 123 Ca 0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1wtg s VAL 123 Cb -0.00 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1wtg s VAL 123 CO -0.04 0.33 0.33 0.21 0.00 0.00 0.00 175.10 175.94 1wtg s ASN 124 N 0.49 6.13 -0.32 3.32 2.47 -0.35 -2.27 114.94 124.41 1wtg s ASN 124 Ca -0.10 -0.95 -0.13 0.00 0.42 0.00 0.00 52.86 52.10 1wtg s ASN 124 Cb -0.14 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.47 1wtg s ASN 124 CO 0.03 -0.50 0.29 -0.69 -3.72 0.00 0.00 177.10 172.50 1wtg s VAL 125 N 1.73 5.24 -0.14 -5.21 1.01 0.00 -1.88 120.40 121.16 1wtg s VAL 125 Ca 0.06 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1wtg s VAL 125 Cb -0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1wtg s VAL 125 CO 0.10 0.05 0.07 -0.89 0.00 0.00 0.00 175.10 174.43 1wtg s THR 126 N 1.88 4.88 -0.21 3.92 2.01 0.06 -0.57 115.64 127.62 1wtg s THR 126 Ca 0.10 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 1wtg s THR 126 Cb -0.17 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1wtg s THR 126 CO 0.11 0.55 0.07 -0.69 -0.69 0.00 0.00 174.62 173.96 1wtg s VAL 127 N -0.41 4.60 0.11 3.82 1.01 1.00 -0.42 120.40 130.10 1wtg s VAL 127 Ca 0.10 -0.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 1wtg s VAL 127 Cb -0.12 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.04 1wtg s VAL 127 CO 0.02 0.41 1.72 1.21 0.00 0.00 0.00 175.10 178.46 1wtg n GLU 128 N 4.09 2.40 -2.13 2.72 2.13 -0.46 -4.80 120.64 124.60 1wtg n GLU 128 Ca -0.16 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.10 1wtg n GLU 128 Cb 0.52 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1wtg n GLU 128 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wtg n ASP 129 N 4.71 4.52 -4.49 4.31 2.03 -1.26 -4.69 116.55 121.69 1wtg n ASP 129 Ca 0.18 -2.96 -0.40 0.00 0.52 0.00 0.00 54.79 52.14 1wtg n ASP 129 Cb 0.32 -1.60 0.02 0.00 -0.72 0.00 0.00 41.12 39.14 1wtg n ASP 129 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1wtg n GLU 130 N 5.51 0.66 -2.50 -0.67 2.13 -1.26 -4.59 120.64 119.92 1wtg n GLU 130 Ca 0.46 0.25 -0.28 0.00 0.66 0.00 0.00 57.16 58.25 1wtg n GLU 130 Cb 0.39 -1.70 0.01 0.00 0.27 0.00 0.00 31.44 30.41 1wtg n GLU 130 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1wtg s ARG 131 N -1.93 3.43 0.47 5.31 1.70 -1.26 -1.31 118.95 125.36 1wtg s ARG 131 Ca 0.66 0.22 0.03 0.00 -0.47 0.00 0.00 55.73 56.17 1wtg s ARG 131 Cb -0.51 -2.32 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 1wtg s ARG 131 CO 0.56 -0.34 0.01 0.95 -1.08 0.00 0.00 175.30 175.40 1wtg s THR 132 N -2.84 1.33 -1.96 4.99 -4.23 0.16 -4.78 115.64 108.31 1wtg s THR 132 Ca 0.49 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.31 1wtg s THR 132 Cb -0.10 -2.39 0.71 0.00 1.34 0.00 0.00 72.50 72.06 1wtg s THR 132 CO 0.46 0.00 2.05 0.18 -0.54 0.00 0.00 174.62 176.77 1wtg n LEU 133 N -1.15 0.36 -4.63 4.79 7.99 -0.94 -4.30 117.00 119.12 1wtg n LEU 133 Ca -0.14 -0.06 -0.43 0.00 -0.01 0.00 0.00 56.01 55.37 1wtg n LEU 133 Cb 0.67 -0.07 -0.02 0.00 -0.11 0.00 0.00 43.42 43.89 1wtg n LEU 133 CO 0.41 0.06 1.26 -0.69 -1.51 0.00 0.00 177.39 176.92 1wtg s VAL 134 N -2.16 3.89 0.46 4.08 1.01 -1.26 -4.95 120.40 121.47 1wtg s VAL 134 Ca 0.40 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 1wtg s VAL 134 Cb 0.21 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wtg s VAL 134 CO 0.39 -0.33 0.79 -0.13 0.00 0.00 0.00 175.10 175.82 1wtg s ARG 135 N 4.37 3.63 -0.30 2.72 0.52 -1.26 -0.87 118.95 127.76 1wtg s ARG 135 Ca 0.65 0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 56.04 1wtg s ARG 135 Cb -0.22 -2.37 0.18 0.00 0.52 0.00 0.00 34.95 33.05 1wtg s ARG 135 CO 0.26 -0.16 1.05 0.50 0.02 0.00 0.00 175.30 176.97 1wtg s ARG 136 N -4.44 0.21 -1.28 3.54 3.52 0.15 -4.84 118.95 115.81 1wtg s ARG 136 Ca 0.49 0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 56.45 1wtg s ARG 136 Cb -0.10 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1wtg s ARG 136 CO 0.40 -0.18 1.10 0.09 -0.81 0.00 0.00 175.30 175.91 1wtg n ASN 137 N 5.28 -4.57 -1.62 -2.12 4.13 -1.26 -2.39 115.26 112.71 1wtg n ASN 137 Ca -0.07 -0.57 -0.15 0.00 1.68 0.00 0.00 54.58 55.47 1wtg n ASN 137 Cb 0.54 -5.02 -0.02 0.00 -1.54 0.00 0.00 39.78 33.74 1wtg n ASN 137 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wtg n ASN 138 N -3.02 -4.61 -4.05 6.41 4.05 -1.26 -5.00 115.26 107.78 1wtg n ASN 138 Ca -0.11 0.06 -0.10 0.00 0.45 0.00 0.00 54.58 54.88 1wtg n ASN 138 Cb 0.60 -3.70 -0.08 0.00 1.23 0.00 0.00 39.78 37.84 1wtg n ASN 138 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1wtg s THR 139 N -2.72 0.08 -0.25 -0.44 -4.23 -1.00 -5.14 115.64 101.94 1wtg s THR 139 Ca 0.00 -1.62 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 1wtg s THR 139 Cb 0.00 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1wtg s THR 139 CO 0.00 -0.35 0.21 -0.36 -0.54 0.00 0.00 174.62 173.58 1wtg s PHE 140 N -4.01 3.29 0.42 3.99 0.08 -1.26 -0.67 117.98 119.82 1wtg s PHE 140 Ca 0.21 0.26 -0.24 0.00 0.12 0.00 0.00 56.93 57.28 1wtg s PHE 140 Cb 0.05 -2.35 -0.08 0.00 -0.57 0.00 0.00 43.02 40.06 1wtg s PHE 140 CO 0.01 -0.03 1.10 -0.51 -0.10 0.00 0.00 175.22 175.70 1wtg s LEU 141 N 1.36 4.09 0.79 -0.37 1.43 -0.04 -4.72 118.68 121.20 1wtg s LEU 141 Ca 0.09 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 1wtg s LEU 141 Cb -0.14 -4.21 0.07 0.00 0.03 0.00 0.00 46.19 41.94 1wtg s LEU 141 CO 0.07 -0.68 1.16 -0.94 0.23 0.00 0.00 176.35 176.19 1wtg s SER 142 N -1.46 4.68 0.41 2.29 1.04 -1.26 -0.67 113.70 118.73 1wtg s SER 142 Ca 0.60 0.84 0.09 0.00 0.48 0.00 0.00 55.95 57.96 1wtg s SER 142 Cb -0.25 -1.39 0.88 0.00 0.10 0.00 0.00 66.02 65.36 1wtg s SER 142 CO 0.31 -1.80 2.02 0.25 0.98 0.00 0.00 173.24 175.00 1wtg h LEU 143 N -0.97 0.34 -0.16 2.42 5.85 -1.45 -2.11 115.31 119.23 1wtg h LEU 143 Ca -0.46 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.11 1wtg h LEU 143 Cb 1.32 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wtg h LEU 143 CO 0.65 0.32 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.61 1wtg h ARG 144 N 0.39 0.54 -0.83 1.25 9.65 -1.91 -1.55 114.38 121.92 1wtg h ARG 144 Ca 0.10 -0.36 0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1wtg h ARG 144 Cb 0.09 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.65 1wtg h ARG 144 CO -0.01 0.98 0.47 -0.44 2.80 0.00 0.00 179.97 183.77 1wtg h ASP 145 N 0.18 0.68 0.13 -3.80 3.32 -1.76 0.37 116.42 115.53 1wtg h ASP 145 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1wtg h ASP 145 Cb 0.98 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1wtg h ASP 145 CO 0.08 0.39 -0.06 0.58 -1.72 0.00 0.00 179.24 178.51 1wtg h VAL 146 N 0.80 0.90 0.00 -1.35 2.07 -1.38 -3.38 116.25 113.91 1wtg h VAL 146 Ca 0.40 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1wtg h VAL 146 Cb 0.36 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1wtg h VAL 146 CO -0.24 0.25 -0.61 -0.26 0.02 0.00 0.00 177.57 176.72 1wtg h PHE 147 N -0.88 0.00 0.00 1.57 0.04 -1.27 -3.49 116.94 112.91 1wtg h PHE 147 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1wtg h PHE 147 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1wtg h PHE 147 CO 0.10 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 1wtg n GLY 148 N 1.18 3.09 0.25 -1.45 0.00 0.13 -0.96 105.19 107.43 1wtg n GLY 148 Ca 0.02 0.22 0.16 0.00 0.00 0.00 0.00 46.02 46.42 1wtg n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wtg h LYS 149 N 0.00 0.00 0.00 1.61 1.57 -1.93 -3.09 116.57 114.73 1wtg h LYS 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wtg h LYS 149 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wtg h LYS 149 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1wtg n ASP 150 N -2.95 0.00 -4.60 0.86 8.00 -0.14 -4.73 116.55 113.00 1wtg n ASP 150 Ca 0.01 0.45 -0.34 0.00 0.71 0.00 0.00 54.79 55.62 1wtg n ASP 150 Cb 0.31 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 1wtg n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wtg s LEU 151 N -2.95 3.46 0.12 0.64 2.96 -1.17 -3.89 118.68 117.85 1wtg s LEU 151 Ca 0.09 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1wtg s LEU 151 Cb 0.11 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1wtg s LEU 151 CO 0.30 0.27 -0.02 0.27 -1.32 0.00 0.00 176.35 175.85 1wtg s ILE 152 N -0.22 0.52 -0.01 6.68 -4.36 0.02 -4.71 121.20 119.12 1wtg s ILE 152 Ca 0.05 -1.93 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 1wtg s ILE 152 Cb -0.13 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 1wtg s ILE 152 CO 0.02 -0.70 -0.25 -0.31 0.24 0.00 0.00 174.94 173.94 1wtg s TYR 153 N -3.75 2.21 -0.06 1.37 2.02 -0.12 -0.63 117.35 118.39 1wtg s TYR 153 Ca 0.17 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1wtg s TYR 153 Cb 0.06 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 1wtg s TYR 153 CO -0.02 -0.01 -0.14 0.95 -1.57 0.00 0.00 175.55 174.77 1wtg s THR 154 N -0.62 3.09 -0.14 -0.71 -4.23 -0.46 -1.52 115.64 111.05 1wtg s THR 154 Ca 0.10 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1wtg s THR 154 Cb -0.10 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1wtg s THR 154 CO -0.00 0.58 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.42 1wtg s LEU 155 N -0.54 3.37 -0.43 4.79 2.96 0.60 -1.38 118.68 128.05 1wtg s LEU 155 Ca 0.07 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1wtg s LEU 155 Cb -0.12 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 44.89 1wtg s LEU 155 CO 0.01 0.22 0.17 -0.47 -1.32 0.00 0.00 176.35 174.97 1wtg s TYR 156 N 0.05 2.99 0.44 5.38 5.04 0.40 -1.62 117.35 130.03 1wtg s TYR 156 Ca 0.01 -2.83 0.05 0.00 -2.44 0.00 0.00 57.07 51.86 1wtg s TYR 156 Cb -0.13 -2.57 -0.05 0.00 0.35 0.00 0.00 41.96 39.56 1wtg s TYR 156 CO 0.02 -0.83 0.01 1.52 -1.34 0.00 0.00 175.55 174.94 1wtg s TYR 157 N 0.41 2.24 0.01 4.97 1.13 -0.52 -2.83 117.35 122.77 1wtg s TYR 157 Ca 0.14 -0.80 -0.27 0.00 -1.41 0.00 0.00 57.07 54.73 1wtg s TYR 157 Cb -0.23 -1.68 0.06 0.00 -1.10 0.00 0.00 41.96 39.02 1wtg s TYR 157 CO -0.05 0.33 0.62 1.67 -2.51 0.00 0.00 175.55 175.60 1wtg s TRP 158 N -2.81 -0.57 -0.17 -3.49 -2.14 -0.97 -1.46 118.94 107.32 1wtg s TRP 158 Ca 0.24 0.80 -0.28 0.00 2.66 0.00 0.00 56.10 59.53 1wtg s TRP 158 Cb 0.07 0.41 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 1wtg s TRP 158 CO 0.12 -0.65 0.95 0.21 -2.66 0.00 0.00 176.95 174.92 1wtg s LYS 159 N -1.95 4.32 -1.16 3.25 2.20 -1.26 -1.91 119.74 123.23 1wtg s LYS 159 Ca -0.08 1.24 -0.19 0.00 -0.36 0.00 0.00 55.97 56.59 1wtg s LYS 159 Cb -0.01 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1wtg s LYS 159 CO 0.03 -0.42 1.98 0.45 -0.36 0.00 0.00 175.35 177.02 1wtg n SER 160 N 5.53 3.51 -0.95 1.43 2.88 0.16 -4.98 113.62 121.19 1wtg n SER 160 Ca 0.08 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1wtg n SER 160 Cb 0.48 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1wtg n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wtg n GLY 164 N 4.82 -1.92 3.73 0.46 0.00 -1.26 -4.97 105.19 106.05 1wtg n GLY 164 Ca 0.49 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1wtg n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wtg s LYS 165 N -0.98 2.90 0.02 1.61 1.02 -1.26 -4.67 119.74 118.37 1wtg s LYS 165 Ca 0.00 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 1wtg s LYS 165 Cb 0.00 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1wtg s LYS 165 CO 0.00 0.63 0.02 0.15 -0.92 0.00 0.00 175.35 175.22 1wtg s LYS 166 N -1.72 0.35 0.06 1.68 1.02 -0.54 -5.02 119.74 115.57 1wtg s LYS 166 Ca 0.22 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 1wtg s LYS 166 Cb -0.12 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1wtg s LYS 166 CO 0.13 -0.07 0.13 0.95 -0.92 0.00 0.00 175.35 175.57 1wtg s THR 167 N -1.42 0.15 0.10 2.17 -4.23 -1.26 -1.44 115.64 109.71 1wtg s THR 167 Ca -0.15 -1.23 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1wtg s THR 167 Cb -0.09 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.55 1wtg s THR 167 CO -0.00 -0.68 0.29 0.00 -0.54 0.00 0.00 174.62 173.69 1wtg s ALA 168 N -3.41 -0.58 0.01 3.99 0.00 -0.64 -4.96 121.76 116.17 1wtg s ALA 168 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1wtg s ALA 168 Cb 0.03 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1wtg s ALA 168 CO -0.08 -0.55 -0.08 0.15 0.00 0.00 0.00 175.76 175.20 1wtg s LYS 169 N -3.62 0.57 0.01 0.00 1.02 -1.26 -0.29 119.74 116.16 1wtg s LYS 169 Ca 0.03 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 1wtg s LYS 169 Cb 0.03 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1wtg s LYS 169 CO -0.10 0.12 0.00 -0.08 -0.92 0.00 0.00 175.35 174.38 1wtg s THR 170 N -0.57 0.10 -2.72 2.17 -1.32 -0.58 -5.01 115.64 107.71 1wtg s THR 170 Ca -0.01 -0.79 0.24 0.00 -1.21 0.00 0.00 61.69 59.91 1wtg s THR 170 Cb -0.05 -0.27 0.32 0.00 -1.51 0.00 0.00 72.50 70.99 1wtg s THR 170 CO 0.00 -0.44 1.35 -0.46 -2.21 0.00 0.00 174.62 172.87 1wtg n ASN 171 N 1.70 3.18 0.00 8.08 6.94 -1.26 -0.95 115.26 132.96 1wtg n ASN 171 Ca -0.23 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 1wtg n ASN 171 Cb 0.56 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1wtg n ASN 171 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wtg n THR 172 N 1.38 0.00 -0.92 5.53 -2.24 -1.26 -4.77 114.28 112.00 1wtg n THR 172 Ca 0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.03 1wtg n THR 172 Cb 0.59 -0.12 0.28 0.00 -2.10 0.00 0.00 70.33 68.98 1wtg n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wtg n ASN 173 N 0.00 4.09 -3.90 3.42 4.13 -1.26 -4.42 115.26 117.32 1wtg n ASN 173 Ca 0.00 -2.93 -0.11 0.00 1.68 0.00 0.00 54.58 53.22 1wtg n ASN 173 Cb 0.00 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 37.57 1wtg n ASN 173 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wtg s GLU 174 N -2.68 0.11 -0.07 3.52 2.02 -1.26 -0.00 118.70 120.34 1wtg s GLU 174 Ca 0.43 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 55.28 1wtg s GLU 174 Cb 0.34 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.58 1wtg s GLU 174 CO 0.11 -0.02 -0.16 -0.06 0.02 0.00 0.00 175.26 175.15 1wtg s PHE 175 N -0.43 2.69 -0.27 1.61 0.08 0.27 -4.81 117.98 117.11 1wtg s PHE 175 Ca -0.05 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1wtg s PHE 175 Cb -0.03 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.81 1wtg s PHE 175 CO -0.00 0.04 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.91 1wtg s LEU 176 N -0.41 3.51 0.20 -0.37 1.98 -1.26 -0.82 118.68 121.51 1wtg s LEU 176 Ca 0.04 -1.48 0.07 0.00 -2.89 0.00 0.00 54.13 49.88 1wtg s LEU 176 Cb -0.12 -1.51 -0.05 0.00 0.66 0.00 0.00 46.19 45.18 1wtg s LEU 176 CO 0.02 -0.22 -0.13 0.27 -1.89 0.00 0.00 176.35 174.39 1wtg s ILE 177 N 1.12 1.64 0.17 6.68 -4.36 -0.96 -4.97 121.20 120.51 1wtg s ILE 177 Ca -0.06 -2.18 -0.21 0.00 -0.26 0.00 0.00 60.65 57.93 1wtg s ILE 177 Cb -0.20 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.40 1wtg s ILE 177 CO -0.06 -0.60 0.70 -1.81 0.24 0.00 0.00 174.94 173.42 1wtg s ASP 178 N -3.30 7.17 0.01 4.36 1.01 -1.26 -1.08 116.67 123.58 1wtg s ASP 178 Ca 0.22 1.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.93 1wtg s ASP 178 Cb 0.00 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1wtg s ASP 178 CO 0.06 0.15 0.00 0.68 0.21 0.00 0.00 175.17 176.28 1wtg s VAL 179 N -1.30 0.06 0.20 -1.27 -7.23 -0.74 -4.91 120.40 105.22 1wtg s VAL 179 Ca 0.37 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 1wtg s VAL 179 Cb -0.20 -0.17 -0.08 0.00 0.56 0.00 0.00 36.38 36.49 1wtg s VAL 179 CO 0.22 -0.27 1.09 -1.81 -0.31 0.00 0.00 175.10 174.03 1wtg s ASP 180 N -0.80 7.28 0.26 4.85 -0.00 -1.26 -4.62 116.67 122.38 1wtg s ASP 180 Ca -0.09 2.11 -0.30 0.00 -0.00 0.00 0.00 52.55 54.28 1wtg s ASP 180 Cb -0.05 -2.61 -0.10 0.00 -0.00 0.00 0.00 42.92 40.16 1wtg s ASP 180 CO -0.00 -0.20 1.44 -0.75 -0.00 0.00 0.00 175.17 175.66 1wtg s LYS 181 N -0.56 4.26 0.00 8.23 2.36 -1.26 -3.04 119.74 129.73 1wtg s LYS 181 Ca 0.48 2.32 0.00 0.00 -2.55 0.00 0.00 55.97 56.22 1wtg s LYS 181 Cb -0.30 -3.09 0.00 0.00 -1.05 0.00 0.00 37.83 33.39 1wtg s LYS 181 CO 0.36 -0.41 0.00 0.41 1.55 0.00 0.00 175.35 177.25 1wtg n GLY 182 N 1.98 2.58 3.78 5.54 0.00 -1.26 -5.02 105.19 112.79 1wtg n GLY 182 Ca 0.06 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1wtg n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wtg s GLU 183 N 0.00 3.69 -0.10 1.61 0.41 -1.17 -5.04 118.70 118.10 1wtg s GLU 183 Ca 0.00 1.63 -0.02 0.00 -0.41 0.00 0.00 54.97 56.17 1wtg s GLU 183 Cb 0.00 -2.26 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 1wtg s GLU 183 CO 0.00 -0.57 0.00 -0.80 -0.49 0.00 0.00 175.26 173.40 1wtg s ASN 184 N -1.60 5.21 0.31 -0.19 -0.87 -1.26 -4.81 114.94 111.72 1wtg s ASN 184 Ca 0.66 0.10 0.08 0.00 -1.57 0.00 0.00 52.86 52.14 1wtg s ASN 184 Cb -0.25 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 1wtg s ASN 184 CO 0.29 0.34 0.13 -0.31 -2.57 0.00 0.00 177.10 174.97 1wtg s TYR 185 N -0.63 2.78 0.05 2.20 1.51 -1.26 -0.66 117.35 121.34 1wtg s TYR 185 Ca 0.10 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1wtg s TYR 185 Cb -0.12 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1wtg s TYR 185 CO 0.02 0.43 -0.22 0.00 -1.11 0.00 0.00 175.55 174.67 1wtg s PHE 187 N -0.85 1.18 -0.26 0.00 0.08 0.12 -2.30 117.98 115.95 1wtg s PHE 187 Ca 0.08 -0.72 -0.20 0.00 0.12 0.00 0.00 56.93 56.21 1wtg s PHE 187 Cb -0.09 -0.62 0.07 0.00 -0.57 0.00 0.00 43.02 41.81 1wtg s PHE 187 CO 0.02 0.04 0.67 0.45 -0.10 0.00 0.00 175.22 176.30 1wtg s SER 188 N -2.88 -0.79 0.34 1.36 0.15 -1.13 -1.54 113.70 109.21 1wtg s SER 188 Ca 0.12 1.40 0.07 0.00 0.70 0.00 0.00 55.95 58.24 1wtg s SER 188 Cb 0.00 1.35 -0.07 0.00 -1.71 0.00 0.00 66.02 65.60 1wtg s SER 188 CO 0.00 -0.23 -0.03 0.68 1.20 0.00 0.00 173.24 174.85 1wtg s VAL 189 N 0.93 1.82 -0.01 4.45 -7.23 -1.26 -0.45 120.40 118.65 1wtg s VAL 189 Ca -0.05 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.01 1wtg s VAL 189 Cb -0.05 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1wtg s VAL 189 CO -0.08 -0.16 0.03 -1.10 -0.31 0.00 0.00 175.10 173.48 1wtg s GLN 190 N -3.72 0.07 0.08 4.82 -0.21 -0.48 -1.18 119.66 119.05 1wtg s GLN 190 Ca 0.33 -0.03 -0.22 0.00 0.02 0.00 0.00 55.36 55.46 1wtg s GLN 190 Cb 0.06 0.03 -0.07 0.00 1.00 0.00 0.00 33.01 34.03 1wtg s GLN 190 CO 0.15 -0.01 0.66 0.00 -2.12 0.00 0.00 175.29 173.97 1wtg s ALA 191 N -0.16 3.50 -0.04 6.09 0.00 -1.26 -1.35 121.76 128.54 1wtg s ALA 191 Ca -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1wtg s ALA 191 Cb -0.01 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1wtg s ALA 191 CO -0.00 0.29 0.13 0.08 0.00 0.00 0.00 175.76 176.25 1wtg s VAL 192 N -0.84 0.01 -0.52 0.00 1.01 0.20 -1.54 120.40 118.73 1wtg s VAL 192 Ca 0.32 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1wtg s VAL 192 Cb -0.20 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.09 1wtg s VAL 192 CO 0.21 -0.06 0.27 -0.63 0.00 0.00 0.00 175.10 174.89 1wtg s ILE 193 N -0.13 2.51 0.27 2.22 -1.09 -0.48 -0.80 121.20 123.69 1wtg s ILE 193 Ca -0.02 -3.31 -0.02 0.00 -2.23 0.00 0.00 60.65 55.07 1wtg s ILE 193 Cb -0.02 -2.74 0.29 0.00 -1.58 0.00 0.00 42.46 38.41 1wtg s ILE 193 CO 0.00 -0.81 1.65 -0.65 -1.23 0.00 0.00 174.94 173.90 1wtg h PRO 194 N 6.47 0.18 0.00 2.79 0.11 -1.82 -1.16 132.00 138.57 1wtg h PRO 194 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1wtg h PRO 194 Cb 0.89 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1wtg h PRO 194 CO 0.68 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 1wtg h SER 195 N 0.18 0.00 -4.26 -2.05 4.64 -1.95 -3.44 113.55 106.68 1wtg h SER 195 Ca 0.49 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.29 1wtg h SER 195 Cb 0.92 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.14 1wtg h SER 195 CO -0.64 0.00 0.33 -0.13 -0.87 0.00 0.00 176.83 175.52 1wtg s ARG 196 N -4.02 2.29 -0.10 4.77 0.52 -0.44 -4.98 118.95 116.98 1wtg s ARG 196 Ca -0.04 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 56.60 1wtg s ARG 196 Cb 0.12 -1.89 -0.12 0.00 0.52 0.00 0.00 34.95 33.58 1wtg s ARG 196 CO 0.42 -1.64 0.01 0.25 0.02 0.00 0.00 175.30 174.36 1wtg n THR 197 N -3.14 0.69 -4.33 0.02 -2.24 -1.26 -4.86 114.28 99.15 1wtg n THR 197 Ca 0.10 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 1wtg n THR 197 Cb 0.52 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 1wtg n THR 197 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wtg s VAL 198 N -2.24 1.92 -1.37 2.28 -7.23 -1.26 -4.78 120.40 107.71 1wtg s VAL 198 Ca -0.07 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1wtg s VAL 198 Cb 0.03 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.21 1wtg s VAL 198 CO 0.39 -0.09 0.40 0.59 -0.31 0.00 0.00 175.10 176.09 1wtg n ASN 199 N 0.80 -1.45 0.23 4.85 3.02 -1.26 -4.82 115.26 116.63 1wtg n ASN 199 Ca -0.17 -1.16 0.12 0.00 -0.03 0.00 0.00 54.58 53.34 1wtg n ASN 199 Cb 0.54 -2.35 0.41 0.00 -0.61 0.00 0.00 39.78 37.77 1wtg n ASN 199 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1wtg h ARG 200 N -2.01 0.00 -4.82 3.52 0.11 -1.86 -3.44 114.38 105.89 1wtg h ARG 200 Ca -0.66 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.12 1wtg h ARG 200 Cb 1.39 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.27 1wtg h ARG 200 CO 0.61 0.13 -0.73 0.15 0.10 0.00 0.00 179.97 180.22 1wtg s LYS 201 N -3.47 0.71 0.72 0.08 1.02 -1.26 -1.39 119.74 116.15 1wtg s LYS 201 Ca 0.03 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 1wtg s LYS 201 Cb 0.08 -0.43 0.11 0.00 -0.52 0.00 0.00 37.83 37.07 1wtg s LYS 201 CO 0.63 0.07 1.00 -1.54 -0.92 0.00 0.00 175.35 174.59 1wtg s SER 202 N -2.08 4.44 0.82 2.83 1.04 -0.59 -4.74 113.70 115.43 1wtg s SER 202 Ca -0.01 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 1wtg s SER 202 Cb -0.06 -0.41 0.08 0.00 0.10 0.00 0.00 66.02 65.73 1wtg s SER 202 CO -0.00 -1.80 1.13 0.42 0.98 0.00 0.00 173.24 173.96 1wtg s THR 203 N -3.19 2.59 0.40 2.02 -4.23 -1.26 -4.71 115.64 107.25 1wtg s THR 203 Ca 0.65 0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 61.09 1wtg s THR 203 Cb -0.07 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 1wtg s THR 203 CO 0.44 -0.25 1.19 -1.81 -0.54 0.00 0.00 174.62 173.65 1wtg s ASP 204 N -4.15 6.48 0.87 3.99 1.01 -1.26 -4.40 116.67 119.21 1wtg s ASP 204 Ca 0.62 2.39 -0.12 0.00 0.71 0.00 0.00 52.55 56.14 1wtg s ASP 204 Cb -0.13 -2.62 0.11 0.00 1.01 0.00 0.00 42.92 41.29 1wtg s ASP 204 CO 0.53 -0.71 1.12 -0.94 0.21 0.00 0.00 175.17 175.38 1wtg s SER 205 N -1.09 3.89 0.76 0.27 1.04 -0.32 -4.79 113.70 113.45 1wtg s SER 205 Ca 0.57 1.09 -0.14 0.00 0.48 0.00 0.00 55.95 57.94 1wtg s SER 205 Cb -0.32 -1.72 0.05 0.00 0.10 0.00 0.00 66.02 64.14 1wtg s SER 205 CO 0.40 -2.32 1.21 -2.84 0.98 0.00 0.00 173.24 170.67 1wtg s PRO 206 N -5.24 1.96 -0.01 4.02 0.02 -1.26 -4.64 135.00 129.86 1wtg s PRO 206 Ca 0.63 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 63.16 1wtg s PRO 206 Cb -0.15 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1wtg s PRO 206 CO 0.54 -1.97 0.86 0.08 -0.33 0.00 0.00 177.00 176.17 1wtg s VAL 207 N -2.00 4.89 0.02 3.83 1.01 -1.26 -4.68 120.40 122.20 1wtg s VAL 207 Ca 0.74 1.81 0.08 0.00 0.00 0.00 0.00 61.98 64.62 1wtg s VAL 207 Cb -0.30 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1wtg s VAL 207 CO 0.47 0.22 -0.23 -1.61 0.00 0.00 0.00 175.10 173.95 1wtg s GLU 208 N 0.76 1.99 -0.05 2.72 0.41 -0.59 -4.95 118.70 119.00 1wtg s GLU 208 Ca 0.45 -1.00 0.03 0.00 -0.41 0.00 0.00 54.97 54.04 1wtg s GLU 208 Cb -0.20 -2.07 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 1wtg s GLU 208 CO 0.24 0.54 -0.12 0.00 -0.49 0.00 0.00 175.26 175.43