#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 1.98 -4.07 1.61 3.41 -1.26 -4.96 113.62 110.33 2e7m n SER 2 Ca 0.00 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 2e7m n SER 2 Cb 0.00 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.13 2e7m n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e7m n SER 3 N -3.86 -1.05 0.00 4.04 7.64 -1.26 -4.08 113.62 115.05 2e7m n SER 3 Ca -0.43 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2e7m n SER 3 Cb 0.91 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2e7m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7m n GLY 4 N -1.26 0.29 3.87 0.23 0.00 -1.26 -5.04 105.19 102.02 2e7m n GLY 4 Ca 0.02 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 2e7m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e7m n SER 5 N 0.00 -1.56 -4.75 1.61 2.88 -1.26 -4.94 113.62 105.60 2e7m n SER 5 Ca 0.00 -0.99 -0.36 0.00 -1.33 0.00 0.00 58.87 56.18 2e7m n SER 5 Cb 0.00 -3.21 -0.07 0.00 -0.75 0.00 0.00 64.21 60.18 2e7m n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e7m s SER 6 N -4.16 6.40 0.00 -3.46 0.01 -1.26 -4.74 113.70 106.49 2e7m s SER 6 Ca 0.12 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2e7m s SER 6 Cb -0.04 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2e7m s SER 6 CO 0.88 0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.30 2e7m n GLY 7 N 3.18 0.44 3.68 3.44 0.00 -1.26 -5.04 105.19 109.63 2e7m n GLY 7 Ca -0.14 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.02 4.25 0.06 1.61 0.04 -1.26 -5.02 135.00 133.66 2e7m s PRO 8 Ca 0.00 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.13 2e7m s PRO 8 Cb 0.00 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 2e7m s PRO 8 CO 0.00 -0.65 -0.21 0.50 0.04 0.00 0.00 177.00 176.69 2e7m s ARG 9 N 2.76 1.32 0.35 4.56 3.52 -1.26 -5.15 118.95 125.04 2e7m s ARG 9 Ca 0.66 -1.01 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 2e7m s ARG 9 Cb -0.32 -1.48 -0.07 0.00 -1.56 0.00 0.00 34.95 31.53 2e7m s ARG 9 CO 0.27 0.37 -0.01 0.95 -0.81 0.00 0.00 175.30 176.06 2e7m s THR 10 N -0.90 1.74 0.46 4.11 -4.23 -1.26 -5.16 115.64 110.39 2e7m s THR 10 Ca 0.07 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 2e7m s THR 10 Cb -0.09 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 71.01 2e7m s THR 10 CO 0.02 -0.10 0.58 0.68 -0.54 0.00 0.00 174.62 175.26 2e7m s VAL 11 N -2.92 2.71 -0.24 2.29 -7.23 -1.26 -4.95 120.40 108.80 2e7m s VAL 11 Ca 0.34 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 2e7m s VAL 11 Cb 0.07 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2e7m s VAL 11 CO 0.16 0.00 0.47 -0.54 -0.31 0.00 0.00 175.10 174.88 2e7m s LYS 12 N -4.38 4.11 -0.71 4.82 1.02 0.22 -4.89 119.74 119.93 2e7m s LYS 12 Ca 0.55 0.28 -0.26 0.00 0.02 0.00 0.00 55.97 56.55 2e7m s LYS 12 Cb -0.08 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2e7m s LYS 12 CO 0.33 -0.23 1.57 -1.21 -0.92 0.00 0.00 175.35 174.89 2e7m s GLU 13 N 1.91 2.94 0.59 1.68 2.02 -1.26 -1.97 118.70 124.60 2e7m s GLU 13 Ca 0.20 0.07 -0.13 0.00 0.02 0.00 0.00 54.97 55.13 2e7m s GLU 13 Cb -0.15 -4.38 -0.05 0.00 0.10 0.00 0.00 34.13 29.65 2e7m s GLU 13 CO 0.09 -2.46 1.02 -0.51 0.02 0.00 0.00 175.26 173.41 2e7m s LEU 14 N 7.34 3.38 -0.77 1.80 1.43 -0.97 -5.00 118.68 125.90 2e7m s LEU 14 Ca 0.51 1.52 -0.07 0.00 -1.03 0.00 0.00 54.13 55.05 2e7m s LEU 14 Cb -0.09 -4.49 0.20 0.00 0.03 0.00 0.00 46.19 41.83 2e7m s LEU 14 CO 0.15 -0.84 0.65 -0.89 0.23 0.00 0.00 176.35 175.66 2e7m s THR 15 N -2.92 4.68 -0.03 5.49 2.01 -1.06 -4.66 115.64 119.15 2e7m s THR 15 Ca 0.57 -2.91 -0.22 0.00 0.31 0.00 0.00 61.69 59.44 2e7m s THR 15 Cb -0.11 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2e7m s THR 15 CO 0.45 -0.98 0.64 -0.69 -0.69 0.00 0.00 174.62 173.35 2e7m s VAL 16 N -0.21 4.96 -0.17 3.82 1.01 -1.26 -2.77 120.40 125.78 2e7m s VAL 16 Ca 0.19 1.34 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 2e7m s VAL 16 Cb -0.14 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2e7m s VAL 16 CO -0.07 0.34 0.42 -0.55 0.00 0.00 0.00 175.10 175.24 2e7m s SER 17 N 0.24 -0.53 0.04 3.32 0.15 0.10 -4.19 113.70 112.84 2e7m s SER 17 Ca 0.34 0.91 -0.17 0.00 0.70 0.00 0.00 55.95 57.73 2e7m s SER 17 Cb -0.18 0.79 -0.24 0.00 -1.71 0.00 0.00 66.02 64.68 2e7m s SER 17 CO 0.18 -0.19 1.13 0.00 1.20 0.00 0.00 173.24 175.56 2e7m h ALA 18 N 7.11 0.08 0.00 5.45 0.00 -1.85 0.87 119.26 130.93 2e7m h ALA 18 Ca -0.37 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2e7m h ALA 18 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2e7m h ALA 18 CO 0.29 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.49 2e7m n GLY 19 N 1.13 0.87 3.58 0.00 0.00 -1.26 -4.49 105.19 105.02 2e7m n GLY 19 Ca -0.11 -0.11 -0.05 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 -1.82 -0.20 0.20 1.61 2.15 -1.26 -5.14 116.67 112.22 2e7m s ASP 20 Ca 0.00 -0.04 -0.32 0.00 0.43 0.00 0.00 52.55 52.62 2e7m s ASP 20 Cb 0.00 0.24 -0.13 0.00 -0.30 0.00 0.00 42.92 42.73 2e7m s ASP 20 CO 0.00 -0.40 1.66 -0.46 -0.17 0.00 0.00 175.17 175.80 2e7m n ASN 21 N -0.20 3.66 -4.63 -0.34 6.94 -1.26 -4.85 115.26 114.58 2e7m n ASN 21 Ca -0.04 1.08 -0.33 0.00 -0.02 0.00 0.00 54.58 55.27 2e7m n ASN 21 Cb 0.60 -1.52 -0.10 0.00 -2.36 0.00 0.00 39.78 36.39 2e7m n ASN 21 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2e7m s LEU 22 N 0.93 3.31 -0.10 -4.53 2.01 -1.09 -5.04 118.68 114.18 2e7m s LEU 22 Ca 0.75 -0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.84 2e7m s LEU 22 Cb -0.56 -1.85 0.03 0.00 0.01 0.00 0.00 46.19 43.81 2e7m s LEU 22 CO 0.36 0.31 -0.05 -0.63 1.01 0.00 0.00 176.35 177.35 2e7m s ILE 23 N -0.97 0.77 0.36 -0.59 1.01 -1.26 -1.60 121.20 118.91 2e7m s ILE 23 Ca 0.16 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.77 2e7m s ILE 23 Cb -0.11 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2e7m s ILE 23 CO 0.06 0.32 0.24 0.27 0.00 0.00 0.00 174.94 175.84 2e7m s ILE 24 N 1.79 3.01 -0.05 2.92 -4.36 -0.14 -4.98 121.20 119.39 2e7m s ILE 24 Ca 0.05 -1.52 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2e7m s ILE 24 Cb -0.12 -3.05 0.03 0.00 1.25 0.00 0.00 42.46 40.57 2e7m s ILE 24 CO -0.07 -0.12 -0.00 -0.89 0.24 0.00 0.00 174.94 174.10 2e7m s THR 25 N -2.42 0.28 0.78 8.37 2.01 -1.26 -0.38 115.64 123.03 2e7m s THR 25 Ca 0.41 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.35 2e7m s THR 25 Cb -0.03 -0.41 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 2e7m s THR 25 CO 0.25 0.21 0.13 0.18 -0.69 0.00 0.00 174.62 174.69 2e7m n LEU 26 N 4.62 -1.50 0.28 4.42 4.77 -0.14 -2.37 117.00 127.08 2e7m n LEU 26 Ca -0.16 0.47 0.17 0.00 -0.03 0.00 0.00 56.01 56.46 2e7m n LEU 26 Cb 0.50 -1.06 0.70 0.00 -2.33 0.00 0.00 43.42 41.24 2e7m n LEU 26 CO 0.16 -4.08 1.00 1.55 -1.33 0.00 0.00 177.39 174.69 2e7m h PRO 27 N -0.64 0.00 -5.04 3.23 0.13 -1.94 -3.40 132.00 124.34 2e7m h PRO 27 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 2e7m h PRO 27 Cb 1.34 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 2e7m h PRO 27 CO 0.37 0.00 1.75 -0.25 -0.23 0.00 0.00 178.00 179.64 2e7m n ASP 28 N -3.06 0.42 -0.55 1.44 9.92 -1.00 -4.72 116.55 118.99 2e7m n ASP 28 Ca 0.00 0.14 0.06 0.00 -0.53 0.00 0.00 54.79 54.47 2e7m n ASP 28 Cb 0.29 -0.96 0.20 0.00 -0.64 0.00 0.00 41.12 40.01 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 10.83 1.77 -4.02 -2.24 0.23 -1.26 -4.07 115.26 116.50 2e7m n ASN 29 Ca 0.64 -3.79 -0.24 0.00 -0.53 0.00 0.00 54.58 50.67 2e7m n ASN 29 Cb 0.06 -0.52 -0.16 0.00 -2.08 0.00 0.00 39.78 37.08 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 -3.15 1.49 -0.02 -3.83 2.02 -1.26 -3.29 118.70 110.66 2e7m s GLU 30 Ca 0.37 -0.38 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 2e7m s GLU 30 Cb 0.36 -1.27 0.01 0.00 0.10 0.00 0.00 34.13 33.32 2e7m s GLU 30 CO -0.06 0.05 0.10 0.54 0.02 0.00 0.00 175.26 175.92 2e7m s VAL 31 N 0.55 0.03 -0.31 2.63 0.11 -1.18 -4.99 120.40 117.24 2e7m s VAL 31 Ca -0.11 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2e7m s VAL 31 Cb -0.14 -0.24 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 2e7m s VAL 31 CO 0.03 -0.15 0.01 -0.70 -3.33 0.00 0.00 175.10 170.95 2e7m s GLU 32 N -0.48 2.16 0.22 1.54 2.12 -1.26 -1.76 118.70 121.25 2e7m s GLU 32 Ca -0.06 -1.47 -0.08 0.00 0.36 0.00 0.00 54.97 53.72 2e7m s GLU 32 Cb -0.04 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 2e7m s GLU 32 CO 0.00 -0.72 0.52 -0.51 -0.54 0.00 0.00 175.26 174.01 2e7m s LEU 33 N 1.14 4.17 -0.04 2.70 1.43 -0.10 -4.90 118.68 123.08 2e7m s LEU 33 Ca -0.02 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2e7m s LEU 33 Cb -0.20 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.43 2e7m s LEU 33 CO -0.04 -0.07 -0.07 -0.75 0.23 0.00 0.00 176.35 175.66 2e7m s LYS 34 N -2.88 0.93 0.32 1.70 2.36 -1.26 -1.03 119.74 119.88 2e7m s LYS 34 Ca 0.46 -0.21 -0.07 0.00 -2.55 0.00 0.00 55.97 53.60 2e7m s LYS 34 Cb -0.11 -0.88 -0.06 0.00 -1.05 0.00 0.00 37.83 35.73 2e7m s LYS 34 CO 0.23 0.01 0.62 0.00 1.55 0.00 0.00 175.35 177.76 2e7m s ALA 35 N 0.57 3.53 -0.19 3.13 0.00 -0.93 -4.35 121.76 123.52 2e7m s ALA 35 Ca -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2e7m s ALA 35 Cb -0.12 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.62 2e7m s ALA 35 CO 0.01 0.18 0.07 -0.06 0.00 0.00 0.00 175.76 175.96 2e7m s PHE 36 N -2.16 0.54 -0.08 0.00 0.08 0.30 -4.93 117.98 111.73 2e7m s PHE 36 Ca 0.47 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 56.98 2e7m s PHE 36 Cb -0.11 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 2e7m s PHE 36 CO 0.30 -0.57 -0.20 0.54 -0.10 0.00 0.00 175.22 175.18 2e7m s VAL 37 N 2.02 2.44 0.03 -0.44 0.11 -1.26 0.01 120.40 123.31 2e7m s VAL 37 Ca 0.01 -0.91 0.04 0.00 -2.93 0.00 0.00 61.98 58.20 2e7m s VAL 37 Cb -0.16 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 2e7m s VAL 37 CO -0.10 0.56 -0.13 0.00 -3.33 0.00 0.00 175.10 172.10 2e7m s ALA 38 N -0.01 1.06 0.58 1.54 0.00 -1.11 -3.44 121.76 120.38 2e7m s ALA 38 Ca -0.07 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 2e7m s ALA 38 Cb -0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2e7m s ALA 38 CO 0.05 0.20 1.12 -1.25 0.00 0.00 0.00 175.76 175.88 2e7m s PRO 39 N -1.03 3.16 0.30 0.00 0.04 -1.26 -2.57 135.00 133.64 2e7m s PRO 39 Ca 0.01 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 2e7m s PRO 39 Cb -0.07 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2e7m s PRO 39 CO 0.01 -0.99 1.17 0.00 0.04 0.00 0.00 177.00 177.23 2e7m s ALA 40 N -1.97 3.42 0.72 8.56 0.00 -1.22 -5.01 121.76 126.25 2e7m s ALA 40 Ca 0.71 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 2e7m s ALA 40 Cb -0.23 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.55 2e7m s ALA 40 CO 0.32 -0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.60 2e7m s PRO 41 N -1.61 2.51 0.00 0.00 0.04 -1.26 -5.06 135.00 129.63 2e7m s PRO 41 Ca 0.47 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2e7m s PRO 41 Cb -0.34 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2e7m s PRO 41 CO 0.45 -1.46 0.00 -0.35 0.04 0.00 0.00 177.00 175.68 2e7m n PRO 42 N -2.99 -0.57 0.09 0.56 -0.04 -1.15 -4.97 135.00 125.92 2e7m n PRO 42 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 2e7m n PRO 42 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.29 1.35 0.06 0.52 3.04 -2.04 -3.39 116.25 114.51 2e7m h VAL 43 Ca 0.00 -2.56 -0.00 0.00 -1.01 0.00 0.00 66.70 63.13 2e7m h VAL 43 Cb 0.00 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2e7m h VAL 43 CO 0.00 0.77 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.97 2e7m h GLU 44 N 0.23 -0.08 -6.54 4.17 5.08 -2.05 -3.45 114.58 111.95 2e7m h GLU 44 Ca -0.15 0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.70 2e7m h GLU 44 Cb 1.82 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2e7m h GLU 44 CO 0.21 -0.05 0.42 0.99 -1.00 0.00 0.00 179.01 179.58 2e7m s THR 45 N -1.67 4.36 0.01 1.13 2.01 -1.26 -5.05 115.64 115.17 2e7m s THR 45 Ca -0.01 1.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.81 2e7m s THR 45 Cb 0.00 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2e7m s THR 45 CO 0.04 0.24 0.07 0.28 -0.69 0.00 0.00 174.62 174.56 2e7m s THR 46 N 0.34 0.09 0.66 -0.82 -1.32 -1.26 -2.93 115.64 110.39 2e7m s THR 46 Ca 0.50 -0.72 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2e7m s THR 46 Cb -0.25 -0.34 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 2e7m s THR 46 CO 0.31 -0.40 0.99 -0.31 -2.21 0.00 0.00 174.62 173.00 2e7m s TYR 47 N -1.30 3.14 -0.13 9.09 2.02 -1.26 -5.02 117.35 123.89 2e7m s TYR 47 Ca -0.14 0.66 -0.04 0.00 -0.37 0.00 0.00 57.07 57.18 2e7m s TYR 47 Cb -0.08 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2e7m s TYR 47 CO 0.00 -1.14 0.02 1.21 -1.57 0.00 0.00 175.55 174.07 2e7m s ASN 48 N -4.40 5.34 -0.38 2.29 3.84 -1.26 -5.03 114.94 115.33 2e7m s ASN 48 Ca 0.57 0.10 -0.10 0.00 0.21 0.00 0.00 52.86 53.64 2e7m s ASN 48 Cb -0.11 -1.70 0.04 0.00 -0.55 0.00 0.00 41.25 38.93 2e7m s ASN 48 CO 0.46 0.29 0.21 -0.31 -2.79 0.00 0.00 177.10 174.97 2e7m s TYR 49 N -0.35 3.26 -0.31 0.43 2.02 -1.26 -4.04 117.35 117.11 2e7m s TYR 49 Ca 0.07 -1.12 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 2e7m s TYR 49 Cb -0.12 -2.55 0.07 0.00 -0.40 0.00 0.00 41.96 38.96 2e7m s TYR 49 CO 0.02 -0.70 0.00 -2.00 -1.57 0.00 0.00 175.55 171.30 2e7m s GLU 50 N 1.52 2.19 0.15 -0.62 2.12 -1.19 -4.26 118.70 118.60 2e7m s GLU 50 Ca 0.02 -1.45 -0.12 0.00 0.36 0.00 0.00 54.97 53.78 2e7m s GLU 50 Cb -0.20 -3.15 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 2e7m s GLU 50 CO 0.05 -0.71 0.51 -1.58 -0.54 0.00 0.00 175.26 173.00 2e7m s TRP 51 N 1.14 3.56 -0.03 5.30 0.52 0.56 -0.51 118.94 129.48 2e7m s TRP 51 Ca -0.02 0.94 -0.13 0.00 0.02 0.00 0.00 56.10 56.91 2e7m s TRP 51 Cb -0.20 -2.29 0.02 0.00 -1.15 0.00 0.00 33.47 29.85 2e7m s TRP 51 CO -0.04 0.41 0.28 -0.80 0.02 0.00 0.00 176.95 176.83 2e7m s ASN 52 N -1.90 -0.18 -0.47 2.95 0.01 -1.09 -4.03 114.94 110.23 2e7m s ASN 52 Ca 0.39 0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 52.53 2e7m s ASN 52 Cb -0.14 0.36 0.07 0.00 0.41 0.00 0.00 41.25 41.95 2e7m s ASN 52 CO 0.20 -0.37 0.39 -0.22 -1.51 0.00 0.00 177.10 175.58 2e7m s LEU 53 N -1.05 5.61 -0.00 0.60 2.96 -1.26 -1.18 118.68 124.36 2e7m s LEU 53 Ca -0.11 -1.35 0.22 0.00 -0.22 0.00 0.00 54.13 52.67 2e7m s LEU 53 Cb -0.05 -2.17 -0.30 0.00 0.50 0.00 0.00 46.19 44.17 2e7m s LEU 53 CO 0.03 -0.65 0.54 2.30 -1.32 0.00 0.00 176.35 177.26 2e7m n ILE 54 N 5.19 0.08 -3.90 6.68 -0.00 -1.10 -4.87 119.36 121.44 2e7m n ILE 54 Ca -0.12 -0.51 -0.27 0.00 -0.00 0.00 0.00 62.75 61.85 2e7m n ILE 54 Cb 0.43 -0.04 -0.17 0.00 -0.00 0.00 0.00 39.64 39.86 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2e7m s SER 55 N -4.62 2.40 -0.24 7.28 0.15 -1.23 -4.99 113.70 112.44 2e7m s SER 55 Ca -0.07 -0.42 -0.28 0.00 0.70 0.00 0.00 55.95 55.88 2e7m s SER 55 Cb 0.13 -0.86 0.15 0.00 -1.71 0.00 0.00 66.02 63.74 2e7m s SER 55 CO 0.90 -0.14 1.15 -1.38 1.20 0.00 0.00 173.24 174.96 2e7m s HIS 56 N 1.69 -0.28 0.31 3.44 -3.43 -1.26 -0.75 115.29 115.01 2e7m s HIS 56 Ca 0.04 0.58 -0.29 0.00 -0.80 0.00 0.00 55.06 54.59 2e7m s HIS 56 Cb -0.13 0.44 -0.10 0.00 -1.43 0.00 0.00 32.58 31.36 2e7m s HIS 56 CO -0.08 -0.20 1.23 -1.25 -2.00 0.00 0.00 174.74 172.43 2e7m s PRO 57 N -0.54 4.45 0.57 -0.38 0.04 -1.25 -4.91 135.00 132.98 2e7m s PRO 57 Ca 0.03 2.05 0.27 0.00 0.04 0.00 0.00 61.00 63.39 2e7m s PRO 57 Cb -0.03 -3.10 1.53 0.00 0.04 0.00 0.00 34.50 32.94 2e7m s PRO 57 CO -0.05 -0.04 2.03 0.00 0.04 0.00 0.00 177.00 178.98 2e7m h THR 58 N 3.03 0.55 -0.44 1.26 1.03 -2.01 0.30 112.91 116.63 2e7m h THR 58 Ca -0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.88 2e7m h THR 58 Cb 1.22 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 69.05 2e7m h THR 58 CO 0.66 0.00 0.11 -0.78 -0.01 0.00 0.00 175.52 175.50 2e7m h ASP 59 N 0.00 0.60 -2.78 0.00 3.58 -1.98 -3.44 116.42 112.40 2e7m h ASP 59 Ca 0.15 -0.09 -0.59 0.00 0.42 0.00 0.00 57.03 56.92 2e7m h ASP 59 Cb 0.75 -0.16 0.15 0.00 1.72 0.00 0.00 39.33 41.80 2e7m h ASP 59 CO -0.00 0.60 -0.27 0.00 -2.88 0.00 0.00 179.24 176.69 2e7m n TYR 60 N -4.31 -0.21 0.00 0.28 9.36 0.09 -4.92 117.16 117.45 2e7m n TYR 60 Ca 0.03 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2e7m n TYR 60 Cb 0.20 -2.03 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 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 0.17 1.07 -1.00 2.98 6.02 -1.26 -5.03 117.38 120.33 2e7m n GLN 61 Ca 0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 2e7m n GLN 61 Cb 0.43 -0.78 0.05 0.00 1.02 0.00 0.00 30.24 30.95 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 2.30 -4.17 3.05 1.08 0.00 -1.26 -4.98 105.19 101.20 2e7m n GLY 62 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 2e7m n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7m s GLU 63 N -2.13 1.97 0.06 1.61 2.02 -1.26 -5.13 118.70 115.84 2e7m s GLU 63 Ca 0.44 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.80 2e7m s GLU 63 Cb -0.21 -1.63 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 2e7m s GLU 63 CO 0.79 0.01 0.45 0.42 0.02 0.00 0.00 175.26 176.95 2e7m s ILE 64 N 0.76 4.99 -0.42 -1.63 1.01 -1.26 -4.90 121.20 119.74 2e7m s ILE 64 Ca -0.12 0.75 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2e7m s ILE 64 Cb -0.16 -3.71 0.53 0.00 0.01 0.00 0.00 42.46 39.13 2e7m s ILE 64 CO 0.02 0.41 1.45 0.29 0.00 0.00 0.00 174.94 177.11 2e7m n LYS 65 N 1.29 3.06 -1.91 2.79 5.02 -1.26 -4.87 118.16 122.28 2e7m n LYS 65 Ca -0.10 -2.12 -0.13 0.00 -2.02 0.00 0.00 58.31 53.94 2e7m n LYS 65 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.08 -1.73 -3.18 1.97 6.02 -1.26 -3.23 117.38 116.06 2e7m n GLN 66 Ca 0.26 0.72 -0.19 0.00 -0.01 0.00 0.00 57.00 57.78 2e7m n GLN 66 Cb 1.04 -5.15 0.01 0.00 1.02 0.00 0.00 30.24 27.15 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 -0.54 -0.60 0.20 1.08 0.00 -1.26 -0.32 105.19 103.75 2e7m n GLY 67 Ca -0.15 0.50 0.08 0.00 0.00 0.00 0.00 46.02 46.46 2e7m n GLY 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2e7m h HIS 68 N 0.48 0.00 -5.03 1.61 3.86 -1.73 -3.39 115.15 110.95 2e7m h HIS 68 Ca -0.42 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.52 2e7m h HIS 68 Cb 0.93 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2e7m h HIS 68 CO 0.11 0.00 -0.11 1.63 0.86 0.00 0.00 177.93 180.42 2e7m n LYS 69 N -2.24 1.00 0.11 2.45 5.02 -1.26 -4.55 118.16 118.69 2e7m n LYS 69 Ca -0.01 -1.67 0.12 0.00 -2.02 0.00 0.00 58.31 54.73 2e7m n LYS 69 Cb 0.34 0.09 0.47 0.00 -0.02 0.00 0.00 35.03 35.92 2e7m n LYS 69 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2e7m n GLN 70 N -1.29 0.18 -5.26 1.97 7.27 -1.26 -4.63 117.38 114.36 2e7m n GLN 70 Ca 0.02 0.37 -0.31 0.00 0.07 0.00 0.00 57.00 57.15 2e7m n GLN 70 Cb 0.31 -1.82 -0.16 0.00 2.41 0.00 0.00 30.24 30.98 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 -3.25 2.16 -0.21 1.69 -4.23 -1.26 -2.19 115.64 108.35 2e7m s THR 71 Ca 0.05 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2e7m s THR 71 Cb 0.10 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.19 2e7m s THR 71 CO 0.41 0.58 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.74 2e7m s LEU 72 N -0.61 2.61 -0.20 4.79 0.20 -0.20 -4.71 118.68 120.55 2e7m s LEU 72 Ca 0.10 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.29 2e7m s LEU 72 Cb -0.10 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2e7m s LEU 72 CO -0.01 -0.03 0.02 0.20 -0.29 0.00 0.00 176.35 176.25 2e7m s ASN 73 N 1.37 5.03 0.12 3.68 0.02 -1.26 -0.92 114.94 122.98 2e7m s ASN 73 Ca 0.05 -0.15 0.04 0.00 -1.02 0.00 0.00 52.86 51.78 2e7m s ASN 73 Cb -0.14 -1.87 -0.04 0.00 0.02 0.00 0.00 41.25 39.23 2e7m s ASN 73 CO -0.08 0.07 0.11 -0.76 0.02 0.00 0.00 177.10 176.47 2e7m s LEU 74 N 0.96 3.84 0.14 0.60 1.02 -0.72 -4.86 118.68 119.65 2e7m s LEU 74 Ca 0.02 -0.05 -0.09 0.00 0.02 0.00 0.00 54.13 54.04 2e7m s LEU 74 Cb -0.14 -2.48 -0.01 0.00 0.02 0.00 0.00 46.19 43.58 2e7m s LEU 74 CO 0.02 0.12 0.25 -0.94 0.02 0.00 0.00 176.35 175.82 2e7m s SER 75 N -2.72 0.07 -1.30 2.29 1.04 -1.26 -3.12 113.70 108.70 2e7m s SER 75 Ca 0.30 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2e7m s SER 75 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2e7m s SER 75 CO 0.23 -0.84 0.00 0.00 0.98 0.00 0.00 173.24 173.61 2e7m n GLN 76 N -0.16 -1.01 -2.77 4.02 6.02 -1.23 -4.72 117.38 117.51 2e7m n GLN 76 Ca -0.10 0.82 -0.43 0.00 -0.01 0.00 0.00 57.00 57.28 2e7m n GLN 76 Cb 0.63 -4.99 -0.04 0.00 1.02 0.00 0.00 30.24 26.87 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 -3.50 3.93 0.00 1.08 1.43 -1.21 -4.57 118.68 115.84 2e7m s LEU 77 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2e7m s LEU 77 Cb 0.00 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2e7m s LEU 77 CO 0.00 -1.16 0.00 -1.20 0.23 0.00 0.00 176.35 174.22 2e7m n SER 78 N 7.45 0.00 -3.66 2.29 7.64 -1.26 -4.39 113.62 121.69 2e7m n SER 78 Ca 0.06 0.11 -0.06 0.00 1.01 0.00 0.00 58.87 59.99 2e7m n SER 78 Cb 0.48 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.47 2e7m n SER 78 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2e7m s VAL 79 N -0.27 -0.66 0.00 0.44 1.01 -1.26 -4.69 120.40 114.97 2e7m s VAL 79 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2e7m s VAL 79 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2e7m s VAL 79 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2e7m n GLY 80 N 5.24 3.04 3.83 4.51 0.00 -1.23 -4.93 105.19 115.65 2e7m n GLY 80 Ca -0.12 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 2e7m n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e7m s LEU 81 N 0.00 4.38 -0.13 0.99 2.96 -1.26 -2.97 118.68 122.65 2e7m s LEU 81 Ca 0.00 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.12 2e7m s LEU 81 Cb 0.00 -3.32 0.06 0.00 0.50 0.00 0.00 46.19 43.43 2e7m s LEU 81 CO 0.00 0.11 0.14 -0.31 -1.32 0.00 0.00 176.35 174.96 2e7m s TYR 82 N -1.42 -0.05 -0.47 5.38 2.02 -0.15 -3.93 117.35 118.73 2e7m s TYR 82 Ca 0.38 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2e7m s TYR 82 Cb -0.17 -0.45 0.08 0.00 -0.40 0.00 0.00 41.96 41.02 2e7m s TYR 82 CO 0.20 -0.41 0.39 0.08 -1.57 0.00 0.00 175.55 174.24 2e7m s VAL 83 N 2.23 5.17 -0.20 0.71 1.01 0.07 -0.68 120.40 128.72 2e7m s VAL 83 Ca 0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 2e7m s VAL 83 Cb -0.14 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2e7m s VAL 83 CO -0.08 -0.59 0.37 -0.36 0.00 0.00 0.00 175.10 174.45 2e7m s PHE 84 N 1.63 3.39 -0.33 5.22 0.08 -0.51 -2.71 117.98 124.74 2e7m s PHE 84 Ca 0.04 0.59 -0.03 0.00 0.12 0.00 0.00 56.93 57.65 2e7m s PHE 84 Cb -0.24 -2.48 0.06 0.00 -0.57 0.00 0.00 43.02 39.78 2e7m s PHE 84 CO 0.06 0.03 0.07 0.21 -0.10 0.00 0.00 175.22 175.49 2e7m s LYS 85 N 1.16 2.39 -0.43 0.44 2.20 -0.32 -1.96 119.74 123.20 2e7m s LYS 85 Ca 0.18 -1.36 -0.24 0.00 -0.36 0.00 0.00 55.97 54.19 2e7m s LYS 85 Cb -0.14 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2e7m s LYS 85 CO 0.07 -0.72 0.84 0.54 -0.36 0.00 0.00 175.35 175.72 2e7m s VAL 86 N 1.27 4.60 -0.47 4.02 0.11 -1.22 -2.68 120.40 126.02 2e7m s VAL 86 Ca -0.02 0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 59.51 2e7m s VAL 86 Cb -0.20 -4.34 0.05 0.00 -1.53 0.00 0.00 36.38 30.35 2e7m s VAL 86 CO -0.01 -0.70 0.55 -0.89 -3.33 0.00 0.00 175.10 170.73 2e7m s THR 87 N 3.43 4.96 -0.18 5.04 2.01 0.33 -1.63 115.64 129.61 2e7m s THR 87 Ca 0.33 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2e7m s THR 87 Cb -0.12 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2e7m s THR 87 CO 0.23 -0.66 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.71 2e7m s VAL 88 N 2.41 3.04 -0.01 3.82 1.01 0.33 -3.20 120.40 127.80 2e7m s VAL 88 Ca 0.14 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 2e7m s VAL 88 Cb -0.19 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2e7m s VAL 88 CO 0.13 0.48 0.22 -0.94 0.00 0.00 0.00 175.10 174.99 2e7m s SER 89 N 1.05 -0.09 0.43 3.32 1.04 -1.26 0.18 113.70 118.37 2e7m s SER 89 Ca -0.00 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.41 2e7m s SER 89 Cb -0.15 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2e7m s SER 89 CO -0.02 -0.39 0.15 -0.24 0.98 0.00 0.00 173.24 173.73 2e7m n SER 90 N 1.46 2.83 -0.33 7.02 2.88 0.25 -4.22 113.62 123.51 2e7m n SER 90 Ca -0.22 -2.70 0.07 0.00 -1.33 0.00 0.00 58.87 54.69 2e7m n SER 90 Cb 0.56 0.14 0.23 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.84 -0.51 -1.46 4.11 -2.02 -2.73 114.58 112.80 2e7m h GLU 91 Ca -0.32 -0.05 -0.37 0.00 0.07 0.00 0.00 59.36 58.69 2e7m h GLU 91 Cb 1.05 -0.19 -0.36 0.00 0.50 0.00 0.00 28.75 29.75 2e7m h GLU 91 CO 0.52 0.55 -0.86 0.09 0.07 0.00 0.00 179.01 179.38 2e7m n ASN 92 N -4.70 3.38 -3.44 3.06 4.13 -1.26 -5.04 115.26 111.39 2e7m n ASN 92 Ca 0.18 -3.24 -0.12 0.00 1.68 0.00 0.00 54.58 53.07 2e7m n ASN 92 Cb 0.38 -0.40 -0.02 0.00 -1.54 0.00 0.00 39.78 38.19 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2e7m s ALA 93 N -3.36 -1.65 -0.18 5.41 0.00 -1.03 -0.61 121.76 120.34 2e7m s ALA 93 Ca 0.42 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 2e7m s ALA 93 Cb 0.38 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.28 2e7m s ALA 93 CO -0.01 -0.71 0.52 0.12 0.00 0.00 0.00 175.76 175.68 2e7m s PHE 94 N -3.37 -0.56 0.02 0.00 2.19 -0.83 0.88 117.98 116.31 2e7m s PHE 94 Ca 0.00 1.34 -0.28 0.00 0.33 0.00 0.00 56.93 58.32 2e7m s PHE 94 Cb -0.01 0.20 0.10 0.00 -1.31 0.00 0.00 43.02 42.00 2e7m s PHE 94 CO -0.10 -0.29 0.94 0.20 1.83 0.00 0.00 175.22 177.79 2e7m s GLY 95 N 0.16 -0.40 0.02 13.12 0.00 0.47 -2.29 107.32 118.39 2e7m s GLY 95 Ca -0.01 0.82 -0.28 0.00 0.00 0.00 0.00 44.72 45.25 2e7m s GLY 95 CO 0.01 0.26 0.81 -1.83 0.00 0.00 0.00 173.10 172.35 2e7m s GLU 96 N -3.10 0.93 0.21 2.90 4.04 -1.26 0.12 118.70 122.55 2e7m s GLU 96 Ca 0.07 -0.26 0.02 0.00 0.04 0.00 0.00 54.97 54.84 2e7m s GLU 96 Cb -0.01 0.43 -0.01 0.00 0.02 0.00 0.00 34.13 34.57 2e7m s GLU 96 CO -0.06 -0.39 0.06 0.41 -1.84 0.00 0.00 175.26 173.44 2e7m n GLY 97 N -0.10 3.70 3.13 -3.83 0.00 -0.65 -4.37 105.19 103.06 2e7m n GLY 97 Ca -0.12 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 2e7m n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e7m s PHE 98 N -2.26 -0.49 -0.09 1.61 0.40 -1.26 -3.42 117.98 112.46 2e7m s PHE 98 Ca 0.09 1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 57.47 2e7m s PHE 98 Cb 0.00 0.12 0.04 0.00 0.51 0.00 0.00 43.02 43.69 2e7m s PHE 98 CO 0.06 -0.33 0.06 0.54 0.70 0.00 0.00 175.22 176.25 2e7m s VAL 99 N 1.83 -0.01 -0.13 -0.44 0.11 -0.83 -4.75 120.40 116.18 2e7m s VAL 99 Ca -0.05 0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2e7m s VAL 99 Cb -0.11 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2e7m s VAL 99 CO -0.10 0.05 0.24 0.20 -3.33 0.00 0.00 175.10 172.15 2e7m s ASN 100 N 2.12 6.45 -0.08 3.54 0.01 -1.26 -1.42 114.94 124.29 2e7m s ASN 100 Ca 0.04 0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 2e7m s ASN 100 Cb -0.13 -2.14 -0.00 0.00 0.41 0.00 0.00 41.25 39.38 2e7m s ASN 100 CO -0.05 0.25 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.87 2e7m s VAL 101 N -0.30 1.99 -0.10 1.60 1.01 0.15 -2.66 120.40 122.07 2e7m s VAL 101 Ca 0.16 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2e7m s VAL 101 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2e7m s VAL 101 CO 0.05 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 2e7m s THR 102 N 0.19 2.90 -0.22 3.92 2.01 -0.63 -0.98 115.64 122.83 2e7m s THR 102 Ca -0.13 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 2e7m s THR 102 Cb -0.16 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2e7m s THR 102 CO 0.07 0.55 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.85 2e7m s VAL 103 N 0.07 3.76 0.18 3.82 1.01 -1.16 -0.97 120.40 127.11 2e7m s VAL 103 Ca -0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2e7m s VAL 103 Cb -0.15 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 2e7m s VAL 103 CO 0.05 0.40 0.46 -0.54 0.00 0.00 0.00 175.10 175.47 2e7m s LYS 104 N 1.37 3.73 0.65 2.72 -0.14 0.49 -3.47 119.74 125.09 2e7m s LYS 104 Ca 0.05 0.12 -0.15 0.00 -1.36 0.00 0.00 55.97 54.62 2e7m s LYS 104 Cb -0.15 -2.77 -0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2e7m s LYS 104 CO 0.00 0.41 1.11 -1.25 -0.76 0.00 0.00 175.35 174.86 2e7m s PRO 105 N -2.64 2.83 -0.43 -1.68 0.04 -1.26 -0.97 135.00 130.90 2e7m s PRO 105 Ca 0.43 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 2e7m s PRO 105 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2e7m s PRO 105 CO 0.22 -1.23 2.13 0.00 0.04 0.00 0.00 177.00 178.17 2e7m s ALA 106 N -2.30 2.22 -0.37 8.56 0.00 -1.26 -4.48 121.76 124.12 2e7m s ALA 106 Ca 0.67 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2e7m s ALA 106 Cb -0.21 -4.22 0.28 0.00 0.00 0.00 0.00 23.12 18.97 2e7m s ALA 106 CO 0.41 -3.63 1.97 2.89 0.00 0.00 0.00 175.76 177.39 2e7m n ARG 107 N 8.89 1.95 -0.00 0.00 1.85 -1.26 -4.48 116.66 123.60 2e7m n ARG 107 Ca 0.29 -1.89 -0.01 0.00 -1.00 0.00 0.00 57.85 55.23 2e7m n ARG 107 Cb 0.51 -1.74 -0.01 0.00 -1.05 0.00 0.00 32.46 30.17 2e7m n ARG 107 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2e7m h SER 108 N 1.47 -0.08 0.00 2.89 0.87 -1.93 -3.48 113.55 113.29 2e7m h SER 108 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2e7m h SER 108 Cb 1.02 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2e7m h SER 108 CO 0.90 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.13 2e7m n GLY 109 N 1.53 -1.81 3.77 5.77 0.00 -1.26 -5.17 105.19 108.02 2e7m n GLY 109 Ca -0.01 0.77 -0.33 0.00 0.00 0.00 0.00 46.02 46.46 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 2.71 -0.05 1.61 0.04 -1.26 -5.03 135.00 133.02 2e7m s PRO 110 Ca 0.00 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 2e7m s PRO 110 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2e7m s PRO 110 CO 0.00 -1.31 0.42 -1.54 0.04 0.00 0.00 177.00 174.60 2e7m s SER 111 N -2.72 6.73 0.16 6.66 1.04 -1.26 -5.07 113.70 119.23 2e7m s SER 111 Ca 0.66 0.87 -0.18 0.00 0.48 0.00 0.00 55.95 57.78 2e7m s SER 111 Cb -0.20 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.71 2e7m s SER 111 CO 0.44 0.20 0.49 -0.94 0.98 0.00 0.00 173.24 174.41 2e7m s SER 112 N -0.37 -0.31 0.00 7.02 1.04 -1.26 -5.32 113.70 114.50 2e7m s SER 112 Ca 0.24 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2e7m s SER 112 Cb -0.16 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2e7m s SER 112 CO 0.11 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.99