#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m n SER 2 N 0.00 0.10 -4.53 1.61 7.64 -1.26 -5.07 113.62 112.11 2e7m n SER 2 Ca 0.00 0.00 -0.60 0.00 1.01 0.00 0.00 58.87 59.28 2e7m n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2e7m n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e7m n SER 3 N -2.69 0.22 0.00 6.43 2.88 -1.26 -4.90 113.62 114.31 2e7m n SER 3 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2e7m n SER 3 Cb 0.23 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2e7m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e7m n GLY 4 N 1.84 3.39 3.53 0.46 0.00 -1.26 -5.09 105.19 108.06 2e7m n GLY 4 Ca 0.21 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2e7m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7m s SER 5 N 0.00 6.18 -0.16 1.61 1.04 -1.26 -4.99 113.70 116.12 2e7m s SER 5 Ca 0.00 -0.59 -0.27 0.00 0.48 0.00 0.00 55.95 55.57 2e7m s SER 5 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2e7m s SER 5 CO 0.00 -1.76 0.91 -0.94 0.98 0.00 0.00 173.24 172.43 2e7m s SER 6 N 3.79 7.06 0.00 7.02 1.04 -1.26 -4.61 113.70 126.74 2e7m s SER 6 Ca 0.33 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2e7m s SER 6 Cb -0.09 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2e7m s SER 6 CO 0.13 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2e7m n GLY 7 N 3.33 -0.98 3.77 7.32 0.00 -1.26 -5.05 105.19 112.32 2e7m n GLY 7 Ca 0.07 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2e7m n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 8 N -0.01 4.40 -0.23 1.61 0.04 -1.26 -5.01 135.00 134.54 2e7m s PRO 8 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2e7m s PRO 8 Cb 0.00 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 2e7m s PRO 8 CO 0.00 -0.08 0.51 1.03 0.04 0.00 0.00 177.00 178.49 2e7m s ARG 9 N -1.76 4.12 0.07 4.56 3.00 -1.26 -5.06 118.95 122.63 2e7m s ARG 9 Ca 0.49 0.34 -0.01 0.00 0.00 0.00 0.00 55.73 56.55 2e7m s ARG 9 Cb -0.36 -3.61 -0.04 0.00 0.00 0.00 0.00 34.95 30.94 2e7m s ARG 9 CO 0.47 -0.26 -0.01 0.95 0.00 0.00 0.00 175.30 176.46 2e7m s THR 10 N 2.00 0.19 0.39 0.02 -4.23 -1.26 -5.18 115.64 107.57 2e7m s THR 10 Ca 0.22 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 2e7m s THR 10 Cb -0.15 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 2e7m s THR 10 CO 0.09 -0.87 0.14 0.68 -0.54 0.00 0.00 174.62 174.12 2e7m s VAL 11 N -3.95 2.46 0.10 2.29 -7.23 -1.26 -4.99 120.40 107.82 2e7m s VAL 11 Ca 0.11 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2e7m s VAL 11 Cb 0.08 -2.96 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 2e7m s VAL 11 CO -0.07 -0.06 1.52 -0.54 -0.31 0.00 0.00 175.10 175.64 2e7m s LYS 12 N -3.86 4.25 -0.04 4.82 -0.14 0.99 -4.74 119.74 121.01 2e7m s LYS 12 Ca 0.39 2.22 -0.26 0.00 -1.36 0.00 0.00 55.97 56.96 2e7m s LYS 12 Cb 0.02 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 2e7m s LYS 12 CO 0.22 -0.59 0.81 -1.21 -0.76 0.00 0.00 175.35 173.82 2e7m s GLU 13 N 1.74 4.48 0.01 1.68 0.41 -1.26 0.04 118.70 125.79 2e7m s GLU 13 Ca 0.69 1.09 0.08 0.00 -0.41 0.00 0.00 54.97 56.41 2e7m s GLU 13 Cb -0.39 -3.45 -0.02 0.00 -1.78 0.00 0.00 34.13 28.48 2e7m s GLU 13 CO 0.31 0.02 -0.24 -0.51 -0.49 0.00 0.00 175.26 174.34 2e7m s LEU 14 N 0.90 2.20 -0.91 1.80 1.43 -1.06 -4.90 118.68 118.15 2e7m s LEU 14 Ca 0.43 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 2e7m s LEU 14 Cb -0.19 -1.36 0.13 0.00 0.03 0.00 0.00 46.19 44.80 2e7m s LEU 14 CO 0.22 0.30 1.11 -0.89 0.23 0.00 0.00 176.35 177.32 2e7m s THR 15 N -0.72 4.71 -0.55 5.49 2.01 -1.10 -4.39 115.64 121.09 2e7m s THR 15 Ca 0.11 -1.50 -0.23 0.00 0.31 0.00 0.00 61.69 60.38 2e7m s THR 15 Cb -0.10 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.69 2e7m s THR 15 CO 0.01 -1.50 0.88 -0.69 -0.69 0.00 0.00 174.62 172.63 2e7m s VAL 16 N 2.76 4.48 -0.05 3.82 1.01 -1.25 -3.01 120.40 128.16 2e7m s VAL 16 Ca 0.32 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2e7m s VAL 16 Cb -0.06 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 2e7m s VAL 16 CO -0.08 -1.08 -0.19 -0.55 0.00 0.00 0.00 175.10 173.20 2e7m s SER 17 N 2.87 2.39 -0.00 3.32 0.15 0.12 -3.32 113.70 119.22 2e7m s SER 17 Ca 0.27 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.42 2e7m s SER 17 Cb -0.14 -0.69 -0.31 0.00 -1.71 0.00 0.00 66.02 63.16 2e7m s SER 17 CO 0.17 0.17 0.86 0.00 1.20 0.00 0.00 173.24 175.64 2e7m h ALA 18 N 6.25 0.08 0.00 5.45 0.00 -1.83 0.58 119.26 129.79 2e7m h ALA 18 Ca -0.32 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.57 2e7m h ALA 18 Cb 1.18 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2e7m h ALA 18 CO 0.48 0.95 0.00 0.41 0.00 0.00 0.00 179.25 181.08 2e7m n GLY 19 N 1.74 0.72 3.62 0.00 0.00 -1.26 -4.42 105.19 105.59 2e7m n GLY 19 Ca -0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 2e7m n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e7m s ASP 20 N -2.11 -0.08 0.30 1.61 2.15 -1.26 -5.14 116.67 112.13 2e7m s ASP 20 Ca 0.00 -0.12 -0.30 0.00 0.43 0.00 0.00 52.55 52.56 2e7m s ASP 20 Cb 0.00 0.18 -0.12 0.00 -0.30 0.00 0.00 42.92 42.68 2e7m s ASP 20 CO 0.00 -0.32 1.55 -0.46 -0.17 0.00 0.00 175.17 175.77 2e7m n ASN 21 N -0.40 3.68 -4.49 -0.34 0.23 -1.26 -4.76 115.26 107.92 2e7m n ASN 21 Ca -0.07 1.16 -0.31 0.00 -0.53 0.00 0.00 54.58 54.83 2e7m n ASN 21 Cb 0.62 -1.57 -0.12 0.00 -2.08 0.00 0.00 39.78 36.62 2e7m n ASN 21 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2e7m s LEU 22 N -0.64 2.75 -0.06 -4.53 2.01 -0.79 -5.03 118.68 112.38 2e7m s LEU 22 Ca 0.63 -0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.44 2e7m s LEU 22 Cb -0.51 -1.59 0.02 0.00 0.01 0.00 0.00 46.19 44.11 2e7m s LEU 22 CO 0.51 0.27 -0.06 -0.63 1.01 0.00 0.00 176.35 177.46 2e7m s ILE 23 N -0.91 0.72 0.29 -0.59 1.01 -1.26 -0.34 121.20 120.11 2e7m s ILE 23 Ca 0.15 -0.20 0.11 0.00 0.00 0.00 0.00 60.65 60.72 2e7m s ILE 23 Cb -0.11 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2e7m s ILE 23 CO 0.05 0.28 -0.18 0.27 0.00 0.00 0.00 174.94 175.36 2e7m s ILE 24 N 1.07 2.42 -0.01 2.92 -4.36 0.33 -4.97 121.20 118.60 2e7m s ILE 24 Ca -0.08 -2.37 0.05 0.00 -0.26 0.00 0.00 60.65 57.98 2e7m s ILE 24 Cb -0.14 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 2e7m s ILE 24 CO -0.01 -0.37 -0.16 -0.89 0.24 0.00 0.00 174.94 173.75 2e7m s THR 25 N -2.54 1.28 0.82 8.37 2.01 -1.25 -0.19 115.64 124.15 2e7m s THR 25 Ca 0.30 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 2e7m s THR 25 Cb -0.04 -1.07 0.09 0.00 0.01 0.00 0.00 72.50 71.49 2e7m s THR 25 CO 0.15 0.36 1.20 -0.76 -0.69 0.00 0.00 174.62 174.88 2e7m s LEU 26 N -0.34 3.10 0.47 4.42 1.43 -0.94 -2.10 118.68 124.72 2e7m s LEU 26 Ca 0.05 2.35 0.26 0.00 -1.03 0.00 0.00 54.13 55.76 2e7m s LEU 26 Cb -0.07 -4.59 1.11 0.00 0.03 0.00 0.00 46.19 42.67 2e7m s LEU 26 CO -0.00 -2.75 1.90 1.55 0.23 0.00 0.00 176.35 177.28 2e7m h PRO 27 N -1.05 0.00 -5.39 1.29 0.13 -1.94 -3.43 132.00 121.62 2e7m h PRO 27 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2e7m h PRO 27 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 2e7m h PRO 27 CO 0.45 0.18 1.63 -0.25 -0.23 0.00 0.00 178.00 179.78 2e7m n ASP 28 N -3.41 0.94 -0.65 1.44 9.92 -0.89 -4.75 116.55 119.15 2e7m n ASP 28 Ca -0.00 0.17 0.05 0.00 -0.53 0.00 0.00 54.79 54.47 2e7m n ASP 28 Cb 0.37 -1.07 0.21 0.00 -0.64 0.00 0.00 41.12 39.98 2e7m n ASP 28 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2e7m n ASN 29 N 10.89 1.79 -4.35 -2.24 0.23 -1.26 -3.82 115.26 116.50 2e7m n ASN 29 Ca 0.56 -3.89 -0.29 0.00 -0.53 0.00 0.00 54.58 50.43 2e7m n ASN 29 Cb 0.13 -0.54 -0.14 0.00 -2.08 0.00 0.00 39.78 37.15 2e7m n ASN 29 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2e7m s GLU 30 N -3.24 1.66 -0.16 -3.83 2.02 -1.26 -2.52 118.70 111.38 2e7m s GLU 30 Ca 0.39 -1.16 -0.13 0.00 0.02 0.00 0.00 54.97 54.09 2e7m s GLU 30 Cb 0.37 -1.92 0.05 0.00 0.10 0.00 0.00 34.13 32.73 2e7m s GLU 30 CO -0.06 0.48 0.41 0.54 0.02 0.00 0.00 175.26 176.65 2e7m s VAL 31 N -0.87 -0.01 -0.30 2.63 0.11 -1.21 -4.96 120.40 115.78 2e7m s VAL 31 Ca 0.12 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 2e7m s VAL 31 Cb -0.10 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2e7m s VAL 31 CO 0.03 0.01 0.05 -0.70 -3.33 0.00 0.00 175.10 171.16 2e7m s GLU 32 N 0.58 2.76 0.10 1.54 2.12 -1.26 -1.83 118.70 122.72 2e7m s GLU 32 Ca -0.03 -1.07 -0.03 0.00 0.36 0.00 0.00 54.97 54.21 2e7m s GLU 32 Cb -0.05 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2e7m s GLU 32 CO -0.04 -0.55 0.30 -0.51 -0.54 0.00 0.00 175.26 173.93 2e7m s LEU 33 N 1.39 4.31 0.19 2.70 1.43 0.61 -4.90 118.68 124.40 2e7m s LEU 33 Ca -0.01 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 2e7m s LEU 33 Cb -0.18 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2e7m s LEU 33 CO 0.01 0.11 -0.22 -0.54 0.23 0.00 0.00 176.35 175.93 2e7m s LYS 34 N -2.59 1.58 -0.15 1.70 1.02 -1.26 -0.48 119.74 119.55 2e7m s LYS 34 Ca 0.38 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2e7m s LYS 34 Cb -0.13 -1.89 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2e7m s LYS 34 CO 0.26 0.41 -0.14 0.00 -0.92 0.00 0.00 175.35 174.96 2e7m s ALA 35 N -1.62 2.53 -0.07 5.17 0.00 0.39 -4.19 121.76 123.97 2e7m s ALA 35 Ca 0.21 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2e7m s ALA 35 Cb -0.08 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 2e7m s ALA 35 CO 0.10 0.00 -0.24 -0.06 0.00 0.00 0.00 175.76 175.56 2e7m s PHE 36 N 0.76 2.45 -0.05 0.00 0.40 0.19 -4.96 117.98 116.77 2e7m s PHE 36 Ca -0.06 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 2e7m s PHE 36 Cb -0.15 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.78 2e7m s PHE 36 CO 0.01 -0.28 -0.04 0.54 0.70 0.00 0.00 175.22 176.15 2e7m s VAL 37 N -0.00 0.51 -0.00 -0.44 0.11 -1.26 0.10 120.40 119.42 2e7m s VAL 37 Ca -0.08 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2e7m s VAL 37 Cb -0.15 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2e7m s VAL 37 CO 0.05 0.23 -0.23 0.00 -3.33 0.00 0.00 175.10 171.82 2e7m s ALA 38 N 1.11 1.96 0.77 1.54 0.00 -1.16 -3.29 121.76 122.69 2e7m s ALA 38 Ca -0.08 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 2e7m s ALA 38 Cb -0.14 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2e7m s ALA 38 CO -0.01 0.47 1.09 -1.25 0.00 0.00 0.00 175.76 176.07 2e7m s PRO 39 N -0.70 2.24 0.28 0.00 0.04 -1.26 -2.70 135.00 132.91 2e7m s PRO 39 Ca 0.09 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2e7m s PRO 39 Cb -0.09 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2e7m s PRO 39 CO -0.00 -1.66 1.20 0.00 0.04 0.00 0.00 177.00 176.59 2e7m s ALA 40 N -2.90 3.45 0.50 8.56 0.00 -1.21 -5.00 121.76 125.16 2e7m s ALA 40 Ca 0.61 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 53.42 2e7m s ALA 40 Cb -0.17 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 2e7m s ALA 40 CO 0.56 -0.39 1.15 -1.25 0.00 0.00 0.00 175.76 175.83 2e7m s PRO 41 N -1.37 3.58 0.00 0.00 0.04 -1.26 -5.05 135.00 130.94 2e7m s PRO 41 Ca 0.48 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2e7m s PRO 41 Cb -0.35 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2e7m s PRO 41 CO 0.45 -0.68 0.00 -0.35 0.04 0.00 0.00 177.00 176.46 2e7m n PRO 42 N -0.84 -0.55 0.06 0.56 -0.04 -1.23 -4.97 135.00 127.99 2e7m n PRO 42 Ca 0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 2e7m n PRO 42 Cb 0.49 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 2e7m n PRO 42 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2e7m h VAL 43 N -1.28 1.35 0.00 0.52 3.04 -2.05 -3.39 116.25 114.44 2e7m h VAL 43 Ca 0.00 -2.42 -0.00 0.00 -1.01 0.00 0.00 66.70 63.27 2e7m h VAL 43 Cb 0.00 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 2e7m h VAL 43 CO 0.00 0.73 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.96 2e7m h GLU 44 N 0.28 -0.00 -6.86 4.17 5.08 -2.04 -3.45 114.58 111.75 2e7m h GLU 44 Ca -0.11 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.72 2e7m h GLU 44 Cb 1.68 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.99 2e7m h GLU 44 CO 0.19 -0.00 0.66 0.99 -1.00 0.00 0.00 179.01 179.85 2e7m s THR 45 N -1.23 2.71 -0.05 1.13 2.01 -1.26 -5.03 115.64 113.91 2e7m s THR 45 Ca -0.00 0.69 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 2e7m s THR 45 Cb 0.00 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2e7m s THR 45 CO 0.00 0.16 0.23 0.42 -0.69 0.00 0.00 174.62 174.74 2e7m s THR 46 N -0.95 0.03 0.44 -0.82 -4.23 -1.26 -3.53 115.64 105.32 2e7m s THR 46 Ca 0.51 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2e7m s THR 46 Cb -0.40 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 2e7m s THR 46 CO 0.52 -0.14 0.67 -0.31 -0.54 0.00 0.00 174.62 174.82 2e7m s TYR 47 N -0.51 3.38 -0.14 3.99 2.02 -1.26 -4.95 117.35 119.88 2e7m s TYR 47 Ca -0.06 0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 57.00 2e7m s TYR 47 Cb -0.04 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 2e7m s TYR 47 CO 0.01 -0.23 0.06 -0.80 -1.57 0.00 0.00 175.55 173.03 2e7m s ASN 48 N -4.14 5.68 -0.36 2.29 0.01 -1.25 -5.02 114.94 112.14 2e7m s ASN 48 Ca 0.46 0.19 -0.14 0.00 -0.71 0.00 0.00 52.86 52.66 2e7m s ASN 48 Cb -0.10 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 2e7m s ASN 48 CO 0.39 0.29 0.26 -0.31 -1.51 0.00 0.00 177.10 176.22 2e7m s TYR 49 N -0.32 3.23 -0.26 2.20 2.02 -1.26 -3.99 117.35 118.98 2e7m s TYR 49 Ca 0.09 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 2e7m s TYR 49 Cb -0.12 -2.51 0.08 0.00 -0.40 0.00 0.00 41.96 39.00 2e7m s TYR 49 CO 0.02 -0.43 0.02 -2.00 -1.57 0.00 0.00 175.55 171.58 2e7m s GLU 50 N 1.71 1.17 0.36 -0.62 2.12 -1.13 -4.29 118.70 118.02 2e7m s GLU 50 Ca 0.06 -1.00 -0.06 0.00 0.36 0.00 0.00 54.97 54.33 2e7m s GLU 50 Cb -0.18 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 2e7m s GLU 50 CO 0.10 -0.75 0.65 -1.58 -0.54 0.00 0.00 175.26 173.15 2e7m s TRP 51 N 1.49 3.49 -0.22 5.30 0.52 0.85 0.28 118.94 130.65 2e7m s TRP 51 Ca 0.01 0.75 -0.25 0.00 0.02 0.00 0.00 56.10 56.63 2e7m s TRP 51 Cb -0.18 -2.21 0.07 0.00 -1.15 0.00 0.00 33.47 30.00 2e7m s TRP 51 CO -0.12 0.01 0.68 -0.80 0.02 0.00 0.00 176.95 176.74 2e7m s ASN 52 N -3.43 -0.70 -0.15 2.95 0.01 -0.64 -4.10 114.94 108.90 2e7m s ASN 52 Ca 0.46 1.24 -0.23 0.00 -0.71 0.00 0.00 52.86 53.63 2e7m s ASN 52 Cb -0.10 1.23 -0.03 0.00 0.41 0.00 0.00 41.25 42.76 2e7m s ASN 52 CO 0.34 -0.30 0.70 -0.22 -1.51 0.00 0.00 177.10 176.10 2e7m s LEU 53 N 0.07 4.21 -0.04 0.60 2.96 -1.26 -0.75 118.68 124.47 2e7m s LEU 53 Ca -0.02 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2e7m s LEU 53 Cb -0.04 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 2e7m s LEU 53 CO 0.03 -0.25 -0.04 2.30 -1.32 0.00 0.00 176.35 177.07 2e7m n ILE 54 N 4.38 0.21 -3.71 6.68 -5.35 -0.99 -4.96 119.36 115.62 2e7m n ILE 54 Ca 0.00 -0.07 -0.38 0.00 -0.27 0.00 0.00 62.75 62.03 2e7m n ILE 54 Cb 0.50 -1.10 -0.11 0.00 -1.74 0.00 0.00 39.64 37.19 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2e7m s SER 55 N -4.86 5.39 -0.11 7.28 0.15 -1.20 -4.99 113.70 115.37 2e7m s SER 55 Ca -0.05 -1.64 -0.21 0.00 0.70 0.00 0.00 55.95 54.75 2e7m s SER 55 Cb 0.02 -1.89 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2e7m s SER 55 CO 0.08 -0.49 0.51 -1.38 1.20 0.00 0.00 173.24 173.16 2e7m s HIS 56 N 1.30 -0.49 0.32 3.44 -3.43 -1.26 -0.31 115.29 114.86 2e7m s HIS 56 Ca 0.03 1.02 -0.29 0.00 -0.80 0.00 0.00 55.06 55.03 2e7m s HIS 56 Cb -0.22 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 31.06 2e7m s HIS 56 CO -0.01 -0.41 1.22 -1.25 -2.00 0.00 0.00 174.74 172.30 2e7m s PRO 57 N -0.58 4.42 0.53 -0.38 0.04 -1.25 -4.91 135.00 132.85 2e7m s PRO 57 Ca -0.07 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.26 2e7m s PRO 57 Cb -0.03 -3.07 1.38 0.00 0.04 0.00 0.00 34.50 32.82 2e7m s PRO 57 CO 0.04 -0.07 2.00 0.00 0.04 0.00 0.00 177.00 179.01 2e7m h THR 58 N 2.98 0.75 0.00 1.26 1.03 -2.01 0.19 112.91 117.11 2e7m h THR 58 Ca -0.48 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 2e7m h THR 58 Cb 1.22 0.73 -0.00 0.00 -1.07 0.00 0.00 68.15 69.03 2e7m h THR 58 CO 0.66 0.00 -0.04 0.44 -0.01 0.00 0.00 175.52 176.57 2e7m h ASP 59 N 0.01 0.00 -3.82 0.00 5.19 -2.01 -3.43 116.42 112.36 2e7m h ASP 59 Ca 0.24 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.10 2e7m h ASP 59 Cb 0.96 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.60 2e7m h ASP 59 CO -0.01 0.04 0.60 0.00 -3.12 0.00 0.00 179.24 176.76 2e7m n TYR 60 N -3.75 2.41 0.00 4.55 9.36 0.68 -4.92 117.16 125.49 2e7m n TYR 60 Ca -0.03 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.65 2e7m n TYR 60 Cb 0.14 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.44 2e7m n TYR 60 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2e7m n GLN 61 N -0.26 1.66 -0.96 2.98 6.02 -1.26 -5.03 117.38 120.54 2e7m n GLN 61 Ca 0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.69 2e7m n GLN 61 Cb 0.41 -0.75 0.05 0.00 1.02 0.00 0.00 30.24 30.97 2e7m n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 62 N 1.91 -3.66 2.90 1.08 0.00 -1.26 -5.00 105.19 101.16 2e7m n GLY 62 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2e7m n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7m s GLU 63 N -2.23 0.87 0.46 1.61 -1.05 -1.26 -5.15 118.70 111.96 2e7m s GLU 63 Ca 0.41 -0.12 0.03 0.00 -0.15 0.00 0.00 54.97 55.14 2e7m s GLU 63 Cb -0.06 -0.87 0.01 0.00 -0.44 0.00 0.00 34.13 32.77 2e7m s GLU 63 CO 0.74 -0.08 0.66 0.42 0.95 0.00 0.00 175.26 177.95 2e7m s ILE 64 N 0.91 3.40 -0.30 1.83 1.01 -1.26 -4.98 121.20 121.81 2e7m s ILE 64 Ca -0.11 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.90 2e7m s ILE 64 Cb -0.14 -3.23 0.46 0.00 0.01 0.00 0.00 42.46 39.56 2e7m s ILE 64 CO 0.00 -0.14 1.35 0.29 0.00 0.00 0.00 174.94 176.45 2e7m n LYS 65 N -2.06 2.37 -1.83 2.79 5.02 -1.26 -4.93 118.16 118.26 2e7m n LYS 65 Ca 0.04 -3.54 -0.06 0.00 -2.02 0.00 0.00 58.31 52.74 2e7m n LYS 65 Cb 0.59 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2e7m n GLN 66 N -0.98 -1.91 -2.60 1.97 6.02 -1.26 -3.07 117.38 115.54 2e7m n GLN 66 Ca 0.35 0.30 -0.24 0.00 -0.01 0.00 0.00 57.00 57.40 2e7m n GLN 66 Cb 0.89 -4.63 0.02 0.00 1.02 0.00 0.00 30.24 27.55 2e7m n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 67 N -0.38 0.04 0.03 1.08 0.00 -1.26 -0.11 105.19 104.60 2e7m n GLY 67 Ca -0.06 0.68 0.02 0.00 0.00 0.00 0.00 46.02 46.66 2e7m n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2e7m n HIS 68 N -0.26 0.15 -4.14 1.61 -0.00 -1.18 -4.17 115.22 107.23 2e7m n HIS 68 Ca -0.07 0.08 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 2e7m n HIS 68 Cb 0.42 -0.60 -0.05 0.00 -0.00 0.00 0.00 29.99 29.76 2e7m n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2e7m s LYS 69 N -3.08 2.24 0.00 -0.41 3.01 -1.26 -4.61 119.74 115.63 2e7m s LYS 69 Ca -0.00 -2.01 0.06 0.00 -1.01 0.00 0.00 55.97 53.01 2e7m s LYS 69 Cb 0.01 -1.95 0.27 0.00 -1.01 0.00 0.00 37.83 35.15 2e7m s LYS 69 CO 0.04 -0.36 1.17 0.94 0.51 0.00 0.00 175.35 177.66 2e7m n GLN 70 N -1.45 0.01 -4.53 1.68 7.27 -1.26 -4.60 117.38 114.50 2e7m n GLN 70 Ca -0.05 0.37 -0.26 0.00 0.07 0.00 0.00 57.00 57.14 2e7m n GLN 70 Cb 0.65 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.66 2e7m n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2e7m s THR 71 N -2.93 1.77 -0.13 1.69 -4.23 -1.26 -0.46 115.64 110.09 2e7m s THR 71 Ca 0.03 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2e7m s THR 71 Cb 0.04 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.34 2e7m s THR 71 CO 0.11 0.12 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.97 2e7m s LEU 72 N -1.49 1.53 -0.07 4.79 2.96 0.36 -4.68 118.68 122.08 2e7m s LEU 72 Ca 0.08 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2e7m s LEU 72 Cb -0.09 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 2e7m s LEU 72 CO 0.03 -0.06 -0.05 0.20 -1.32 0.00 0.00 176.35 175.14 2e7m s ASN 73 N 1.44 4.77 0.31 3.68 0.01 -1.26 -0.29 114.94 123.61 2e7m s ASN 73 Ca 0.02 0.00 0.09 0.00 -0.71 0.00 0.00 52.86 52.27 2e7m s ASN 73 Cb -0.13 -1.22 -0.06 0.00 0.41 0.00 0.00 41.25 40.24 2e7m s ASN 73 CO -0.08 0.36 -0.10 -0.76 -1.51 0.00 0.00 177.10 175.01 2e7m s LEU 74 N -0.87 2.64 0.28 0.60 1.02 -0.76 -4.90 118.68 116.70 2e7m s LEU 74 Ca 0.13 -1.17 -0.06 0.00 0.02 0.00 0.00 54.13 53.06 2e7m s LEU 74 Cb -0.11 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 2e7m s LEU 74 CO 0.02 -0.20 0.41 -0.94 0.02 0.00 0.00 176.35 175.65 2e7m s SER 75 N -3.54 0.43 -1.10 2.29 1.04 -1.26 -3.36 113.70 108.20 2e7m s SER 75 Ca 0.31 -1.28 -0.14 0.00 0.48 0.00 0.00 55.95 55.32 2e7m s SER 75 Cb 0.02 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.86 2e7m s SER 75 CO 0.15 -1.15 0.35 0.00 0.98 0.00 0.00 173.24 173.57 2e7m n GLN 76 N -0.45 -1.18 -2.24 4.02 6.02 -1.24 -4.78 117.38 117.53 2e7m n GLN 76 Ca 0.00 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2e7m n GLN 76 Cb 0.63 -3.53 -0.03 0.00 1.02 0.00 0.00 30.24 28.32 2e7m n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e7m s LEU 77 N -5.28 4.34 0.61 1.08 1.43 -1.05 -4.78 118.68 115.03 2e7m s LEU 77 Ca 0.49 2.16 -0.08 0.00 -1.03 0.00 0.00 54.13 55.66 2e7m s LEU 77 Cb -0.29 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 2e7m s LEU 77 CO 0.60 -0.67 0.96 -0.55 0.23 0.00 0.00 176.35 176.92 2e7m s SER 78 N 1.56 5.75 -0.57 2.29 0.15 -1.26 -4.79 113.70 116.82 2e7m s SER 78 Ca 0.63 0.98 -0.26 0.00 0.70 0.00 0.00 55.95 58.00 2e7m s SER 78 Cb -0.33 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2e7m s SER 78 CO 0.28 -1.04 2.08 -0.69 1.20 0.00 0.00 173.24 175.07 2e7m s VAL 79 N -3.09 3.22 -0.08 4.45 1.01 -1.26 -4.60 120.40 120.04 2e7m s VAL 79 Ca 0.54 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 2e7m s VAL 79 Cb -0.11 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2e7m s VAL 79 CO 0.48 -0.55 1.36 -0.83 0.00 0.00 0.00 175.10 175.56 2e7m s GLY 80 N 9.75 -0.23 0.02 4.51 0.00 -1.23 -4.95 107.32 115.18 2e7m s GLY 80 Ca 0.79 0.24 -0.14 0.00 0.00 0.00 0.00 44.72 45.61 2e7m s GLY 80 CO 0.22 5.80 0.41 -2.27 0.00 0.00 0.00 173.10 177.26 2e7m s LEU 81 N -3.81 4.45 -0.17 0.66 2.96 -1.26 -2.92 118.68 118.58 2e7m s LEU 81 Ca 0.30 0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 55.09 2e7m s LEU 81 Cb 0.01 -2.67 0.06 0.00 0.50 0.00 0.00 46.19 44.09 2e7m s LEU 81 CO -0.03 0.29 0.11 -0.31 -1.32 0.00 0.00 176.35 175.09 2e7m s TYR 82 N -1.15 0.13 -0.47 5.38 2.02 -0.81 -3.93 117.35 118.52 2e7m s TYR 82 Ca 0.26 -0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.58 2e7m s TYR 82 Cb -0.16 -0.65 0.08 0.00 -0.40 0.00 0.00 41.96 40.84 2e7m s TYR 82 CO 0.14 -0.52 0.38 0.08 -1.57 0.00 0.00 175.55 174.06 2e7m s VAL 83 N 2.16 4.96 -0.11 0.71 1.01 0.57 -0.78 120.40 128.93 2e7m s VAL 83 Ca 0.03 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 2e7m s VAL 83 Cb -0.16 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2e7m s VAL 83 CO -0.09 -0.62 0.32 -0.36 0.00 0.00 0.00 175.10 174.35 2e7m s PHE 84 N 1.57 3.55 -0.24 5.22 0.08 0.14 -2.35 117.98 125.95 2e7m s PHE 84 Ca 0.04 0.71 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 2e7m s PHE 84 Cb -0.25 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 2e7m s PHE 84 CO 0.05 0.39 -0.04 0.21 -0.10 0.00 0.00 175.22 175.73 2e7m s LYS 85 N -0.08 3.18 -0.57 0.44 2.20 0.07 -1.44 119.74 123.55 2e7m s LYS 85 Ca 0.19 -0.76 -0.20 0.00 -0.36 0.00 0.00 55.97 54.84 2e7m s LYS 85 Cb -0.14 -3.03 0.08 0.00 -1.51 0.00 0.00 37.83 33.23 2e7m s LYS 85 CO 0.07 -0.28 0.72 0.54 -0.36 0.00 0.00 175.35 176.04 2e7m s VAL 86 N 1.43 4.75 -0.53 4.02 0.11 -1.20 -1.61 120.40 127.37 2e7m s VAL 86 Ca 0.04 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.17 2e7m s VAL 86 Cb -0.15 -4.45 0.04 0.00 -1.53 0.00 0.00 36.38 30.28 2e7m s VAL 86 CO -0.03 -1.06 0.97 -0.89 -3.33 0.00 0.00 175.10 170.76 2e7m s THR 87 N 2.91 4.36 -0.24 5.04 2.01 0.14 -1.18 115.64 128.69 2e7m s THR 87 Ca 0.15 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2e7m s THR 87 Cb -0.21 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.81 2e7m s THR 87 CO 0.09 -1.06 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.15 2e7m s VAL 88 N 4.03 2.33 0.11 3.82 1.01 0.13 -2.82 120.40 129.01 2e7m s VAL 88 Ca 0.34 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2e7m s VAL 88 Cb -0.11 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2e7m s VAL 88 CO 0.22 0.16 -0.11 -0.94 0.00 0.00 0.00 175.10 174.44 2e7m s SER 89 N 1.21 1.63 0.30 3.32 1.04 -1.26 0.35 113.70 120.28 2e7m s SER 89 Ca -0.03 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2e7m s SER 89 Cb -0.17 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2e7m s SER 89 CO -0.07 -0.25 0.07 -0.24 0.98 0.00 0.00 173.24 173.73 2e7m n SER 90 N 0.43 2.58 -0.05 7.02 2.88 -0.05 -3.80 113.62 122.63 2e7m n SER 90 Ca -0.15 -2.22 -0.08 0.00 -1.33 0.00 0.00 58.87 55.09 2e7m n SER 90 Cb 0.58 0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 2e7m n SER 90 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e7m h GLU 91 N 0.00 0.06 -0.73 -1.46 4.11 -2.01 -3.05 114.58 111.50 2e7m h GLU 91 Ca -0.23 -0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.67 2e7m h GLU 91 Cb 0.73 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.56 2e7m h GLU 91 CO 0.37 0.04 -0.70 0.27 0.07 0.00 0.00 179.01 179.06 2e7m n ASN 92 N -5.15 4.92 -3.80 3.06 0.23 -1.26 -5.03 115.26 108.23 2e7m n ASN 92 Ca -0.02 -3.76 -0.06 0.00 -0.53 0.00 0.00 54.58 50.21 2e7m n ASN 92 Cb 0.12 -0.39 -0.02 0.00 -2.08 0.00 0.00 39.78 37.41 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e7m s ALA 93 N -3.59 -1.35 -0.27 -2.53 0.00 -1.15 -0.01 121.76 112.85 2e7m s ALA 93 Ca 0.51 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 2e7m s ALA 93 Cb 0.41 0.80 0.07 0.00 0.00 0.00 0.00 23.12 24.40 2e7m s ALA 93 CO 0.03 -1.02 0.72 0.12 0.00 0.00 0.00 175.76 175.61 2e7m s PHE 94 N -3.75 -0.79 0.10 0.00 2.19 0.11 -0.87 117.98 114.97 2e7m s PHE 94 Ca 0.11 1.93 -0.19 0.00 0.33 0.00 0.00 56.93 59.10 2e7m s PHE 94 Cb -0.05 0.27 0.05 0.00 -1.31 0.00 0.00 43.02 41.98 2e7m s PHE 94 CO 0.04 -0.38 0.47 0.20 1.83 0.00 0.00 175.22 177.39 2e7m s GLY 95 N 0.38 -0.38 -0.06 13.12 0.00 0.15 -2.55 107.32 117.98 2e7m s GLY 95 Ca -0.00 0.26 -0.13 0.00 0.00 0.00 0.00 44.72 44.85 2e7m s GLY 95 CO 0.01 -0.02 0.31 -0.54 0.00 0.00 0.00 173.10 172.86 2e7m s GLU 96 N -3.32 0.53 0.50 2.90 2.02 -1.26 0.18 118.70 120.26 2e7m s GLU 96 Ca -0.00 0.10 0.03 0.00 0.02 0.00 0.00 54.97 55.12 2e7m s GLU 96 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 2e7m s GLU 96 CO -0.09 -0.12 0.13 0.20 0.02 0.00 0.00 175.26 175.40 2e7m s GLY 97 N -0.63 2.74 -0.17 -1.39 0.00 -0.32 -4.16 107.32 103.39 2e7m s GLY 97 Ca -0.07 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 2e7m s GLY 97 CO 0.02 -2.09 0.36 -1.36 0.00 0.00 0.00 173.10 170.03 2e7m s PHE 98 N -2.81 -0.64 -0.04 1.90 0.40 -1.26 -3.25 117.98 112.28 2e7m s PHE 98 Ca 0.19 1.29 -0.02 0.00 -0.60 0.00 0.00 56.93 57.80 2e7m s PHE 98 Cb 0.02 0.17 0.03 0.00 0.51 0.00 0.00 43.02 43.74 2e7m s PHE 98 CO 0.11 -0.42 0.09 0.54 0.70 0.00 0.00 175.22 176.23 2e7m s VAL 99 N 2.47 -0.04 0.14 -0.44 0.11 -0.52 -4.65 120.40 117.47 2e7m s VAL 99 Ca -0.01 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 2e7m s VAL 99 Cb -0.12 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2e7m s VAL 99 CO -0.11 0.06 -0.10 0.54 -3.33 0.00 0.00 175.10 172.16 2e7m s ASN 100 N 0.86 4.30 -0.03 3.54 4.22 -1.26 0.24 114.94 126.81 2e7m s ASN 100 Ca -0.07 -0.48 0.01 0.00 -2.14 0.00 0.00 52.86 50.18 2e7m s ASN 100 Cb -0.09 -0.77 0.02 0.00 1.28 0.00 0.00 41.25 41.69 2e7m s ASN 100 CO -0.03 0.15 -0.02 -0.69 -2.04 0.00 0.00 177.10 174.46 2e7m s VAL 101 N -1.40 0.30 -0.08 3.54 1.01 0.04 -1.89 120.40 121.92 2e7m s VAL 101 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2e7m s VAL 101 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2e7m s VAL 101 CO 0.14 0.15 -0.03 -0.89 0.00 0.00 0.00 175.10 174.47 2e7m s THR 102 N 0.74 4.00 -0.31 3.92 2.01 0.54 -1.92 115.64 124.63 2e7m s THR 102 Ca -0.08 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2e7m s THR 102 Cb -0.11 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 69.81 2e7m s THR 102 CO -0.01 0.60 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 2e7m s VAL 103 N -0.77 2.53 0.47 3.82 1.01 -1.15 -0.52 120.40 125.80 2e7m s VAL 103 Ca 0.12 -1.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 2e7m s VAL 103 Cb -0.11 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 2e7m s VAL 103 CO 0.02 -0.27 0.99 -0.54 0.00 0.00 0.00 175.10 175.30 2e7m s LYS 104 N 1.09 3.99 0.84 2.72 -0.14 0.73 -3.50 119.74 125.48 2e7m s LYS 104 Ca -0.01 1.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.66 2e7m s LYS 104 Cb -0.20 -2.14 0.10 0.00 -1.68 0.00 0.00 37.83 33.91 2e7m s LYS 104 CO -0.05 -0.24 1.09 -1.25 -0.76 0.00 0.00 175.35 174.14 2e7m s PRO 105 N -3.41 1.72 -0.33 -1.68 0.04 -1.26 -2.21 135.00 127.87 2e7m s PRO 105 Ca 0.63 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 2e7m s PRO 105 Cb -0.12 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2e7m s PRO 105 CO 0.20 -1.96 0.99 0.00 0.04 0.00 0.00 177.00 176.27 2e7m s ALA 106 N -2.92 3.48 -0.09 8.56 0.00 -1.26 -4.21 121.76 125.31 2e7m s ALA 106 Ca 0.62 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2e7m s ALA 106 Cb -0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 2e7m s ALA 106 CO 0.56 -1.47 -0.19 -0.98 0.00 0.00 0.00 175.76 173.68 2e7m s ARG 107 N 3.50 2.97 0.02 0.00 1.70 -1.26 -4.99 118.95 120.89 2e7m s ARG 107 Ca 0.42 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 2e7m s ARG 107 Cb -0.12 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.87 2e7m s ARG 107 CO 0.16 0.29 0.00 0.43 -1.08 0.00 0.00 175.30 175.10 2e7m n SER 108 N 3.24 0.05 0.00 -2.89 7.64 -1.26 -5.12 113.62 115.28 2e7m n SER 108 Ca -0.18 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2e7m n SER 108 Cb 0.53 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2e7m n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7m n GLY 109 N 2.41 -1.73 3.77 0.23 0.00 -1.26 -5.14 105.19 103.47 2e7m n GLY 109 Ca 0.00 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 2e7m n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 110 N 0.00 3.48 -0.18 1.61 0.04 -1.26 -5.06 135.00 133.62 2e7m s PRO 110 Ca 0.00 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 2e7m s PRO 110 Cb 0.00 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2e7m s PRO 110 CO 0.00 -0.76 0.53 -1.12 0.04 0.00 0.00 177.00 175.69 2e7m s SER 111 N -1.65 -0.54 -0.21 6.66 0.01 -1.26 -5.15 113.70 111.56 2e7m s SER 111 Ca 0.70 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.97 2e7m s SER 111 Cb -0.25 1.01 0.05 0.00 0.21 0.00 0.00 66.02 67.04 2e7m s SER 111 CO 0.29 -0.22 -0.09 -0.44 0.41 0.00 0.00 173.24 173.19 2e7m s SER 112 N 0.11 3.61 0.00 2.44 0.01 -1.26 -5.29 113.70 113.33 2e7m s SER 112 Ca -0.01 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2e7m s SER 112 Cb -0.04 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2e7m s SER 112 CO 0.01 -0.17 0.39 0.61 0.41 0.00 0.00 173.24 174.50