#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m s SER 2 N 0.00 0.03 0.06 1.61 0.01 -1.26 -5.16 113.70 109.00 2e7m s SER 2 Ca 0.00 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.50 2e7m s SER 2 Cb 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 2e7m s SER 2 CO 0.00 -0.15 -0.06 -0.44 0.41 0.00 0.00 173.24 173.00 2e7m s SER 3 N 1.26 0.79 0.02 2.44 0.01 -1.26 -5.17 113.70 111.80 2e7m s SER 3 Ca -0.08 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.38 2e7m s SER 3 Cb -0.12 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2e7m s SER 3 CO -0.05 -0.40 -0.04 -0.83 0.41 0.00 0.00 173.24 172.32 2e7m s GLY 4 N -2.40 0.31 -0.19 3.44 0.00 -1.26 -5.14 107.32 102.08 2e7m s GLY 4 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 2e7m s GLY 4 CO -0.04 -0.65 0.34 -0.45 0.00 0.00 0.00 173.10 172.30 2e7m s SER 5 N -1.35 0.28 -0.26 1.64 0.15 -1.26 -5.15 113.70 107.76 2e7m s SER 5 Ca -0.12 0.49 -0.25 0.00 0.70 0.00 0.00 55.95 56.76 2e7m s SER 5 Cb -0.09 0.97 0.08 0.00 -1.71 0.00 0.00 66.02 65.27 2e7m s SER 5 CO -0.00 -0.27 0.79 -0.44 1.20 0.00 0.00 173.24 174.52 2e7m s SER 6 N 2.50 -0.67 0.00 5.45 0.01 -1.26 -5.15 113.70 114.57 2e7m s SER 6 Ca 0.05 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2e7m s SER 6 Cb -0.14 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.38 2e7m s SER 6 CO -0.12 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2e7m n GLY 7 N 2.48 3.56 3.58 3.44 0.00 -1.26 -5.01 105.19 111.98 2e7m n GLY 7 Ca -0.14 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 2.74 2.50 0.16 1.61 0.04 -1.26 -4.89 135.00 135.90 2e7m s PRO 8 Ca 0.00 -1.14 0.05 0.00 0.04 0.00 0.00 61.00 59.95 2e7m s PRO 8 Cb 0.00 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2e7m s PRO 8 CO 0.00 -3.96 -0.10 1.03 0.04 0.00 0.00 177.00 174.01 2e7m s ARG 9 N 6.48 1.10 0.03 4.56 0.52 -1.26 -5.17 118.95 125.20 2e7m s ARG 9 Ca 0.68 -1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 54.33 2e7m s ARG 9 Cb -0.01 -0.67 0.00 0.00 0.52 0.00 0.00 34.95 34.80 2e7m s ARG 9 CO 0.13 0.08 0.19 0.95 0.02 0.00 0.00 175.30 176.67 2e7m s THR 10 N -3.30 0.10 0.53 0.02 -4.23 -1.26 -5.18 115.64 102.33 2e7m s THR 10 Ca 0.18 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 2e7m s THR 10 Cb 0.02 -0.79 0.05 0.00 1.34 0.00 0.00 72.50 73.13 2e7m s THR 10 CO 0.01 -0.45 0.45 1.33 -0.54 0.00 0.00 174.62 175.43 2e7m n VAL 11 N 0.89 0.00 -3.31 2.29 0.24 -1.26 -4.99 118.33 112.19 2e7m n VAL 11 Ca -0.20 -2.06 -0.39 0.00 -2.04 0.00 0.00 64.34 59.65 2e7m n VAL 11 Cb 0.58 -0.12 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 2e7m n VAL 11 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2e7m s LYS 12 N -4.22 4.09 -0.21 7.34 1.02 0.18 -4.89 119.74 123.05 2e7m s LYS 12 Ca 0.34 0.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.27 2e7m s LYS 12 Cb -0.03 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2e7m s LYS 12 CO 0.22 -0.23 1.36 -1.83 -0.92 0.00 0.00 175.35 173.95 2e7m s GLU 13 N 1.93 4.06 -0.13 1.68 -1.05 -1.26 -1.79 118.70 122.13 2e7m s GLU 13 Ca 0.19 1.57 -0.05 0.00 -0.15 0.00 0.00 54.97 56.53 2e7m s GLU 13 Cb -0.15 -3.86 -0.04 0.00 -0.44 0.00 0.00 34.13 29.64 2e7m s GLU 13 CO 0.09 -0.94 0.05 -0.51 0.95 0.00 0.00 175.26 174.90 2e7m s LEU 14 N 4.09 3.85 -0.90 1.83 1.43 -1.08 -4.88 118.68 123.02 2e7m s LEU 14 Ca 0.59 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.70 2e7m s LEU 14 Cb -0.21 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.21 2e7m s LEU 14 CO 0.21 0.31 1.08 -0.89 0.23 0.00 0.00 176.35 177.29 2e7m s THR 15 N -0.46 4.79 -0.24 5.49 2.01 -0.88 -4.52 115.64 121.83 2e7m s THR 15 Ca 0.10 -1.58 -0.22 0.00 0.31 0.00 0.00 61.69 60.30 2e7m s THR 15 Cb -0.12 -4.74 -0.01 0.00 0.01 0.00 0.00 72.50 67.64 2e7m s THR 15 CO 0.02 -1.45 0.71 -0.69 -0.69 0.00 0.00 174.62 172.51 2e7m s VAL 16 N 2.54 4.93 -0.05 3.82 1.01 -1.26 -2.53 120.40 128.87 2e7m s VAL 16 Ca 0.30 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 2e7m s VAL 16 Cb -0.06 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2e7m s VAL 16 CO -0.08 0.01 -0.01 -0.55 0.00 0.00 0.00 175.10 174.46 2e7m s SER 17 N 1.37 1.03 0.08 3.32 0.15 -0.08 -4.30 113.70 115.27 2e7m s SER 17 Ca 0.30 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.73 2e7m s SER 17 Cb -0.16 -0.37 -0.17 0.00 -1.71 0.00 0.00 66.02 63.61 2e7m s SER 17 CO 0.09 -0.12 1.26 0.00 1.20 0.00 0.00 173.24 175.67 2e7m h ALA 18 N 7.66 0.25 0.00 5.45 0.00 -1.86 0.21 119.26 130.97 2e7m h ALA 18 Ca -0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2e7m h ALA 18 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2e7m h ALA 18 CO 0.38 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.61 2e7m n GLY 19 N 0.74 1.07 3.85 0.00 0.00 -1.26 -4.40 105.19 105.18 2e7m n GLY 19 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.25 -0.02 0.20 1.61 2.15 -1.26 -5.14 116.67 112.95 2e7m s ASP 20 Ca 0.00 -0.33 -0.30 0.00 0.43 0.00 0.00 52.55 52.35 2e7m s ASP 20 Cb 0.00 0.27 -0.09 0.00 -0.30 0.00 0.00 42.92 42.80 2e7m s ASP 20 CO 0.00 -0.53 1.33 0.54 -0.17 0.00 0.00 175.17 176.34 2e7m s ASN 21 N -3.43 6.87 -0.05 -0.34 2.20 -1.26 -4.75 114.94 114.18 2e7m s ASN 21 Ca 0.22 2.42 0.04 0.00 -0.94 0.00 0.00 52.86 54.60 2e7m s ASN 21 Cb 0.00 -2.61 -0.02 0.00 -2.00 0.00 0.00 41.25 36.62 2e7m s ASN 21 CO 0.00 -0.55 -0.15 -0.76 -2.94 0.00 0.00 177.10 172.70 2e7m s LEU 22 N -0.06 2.67 -0.08 3.54 2.01 -1.03 -5.04 118.68 120.69 2e7m s LEU 22 Ca 0.57 -0.23 0.01 0.00 0.01 0.00 0.00 54.13 54.49 2e7m s LEU 22 Cb -0.37 -1.54 0.02 0.00 0.01 0.00 0.00 46.19 44.31 2e7m s LEU 22 CO 0.38 0.33 -0.08 -0.63 1.01 0.00 0.00 176.35 177.36 2e7m s ILE 23 N -0.64 0.92 0.33 -0.59 1.01 -1.26 -1.58 121.20 119.39 2e7m s ILE 23 Ca 0.10 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.54 2e7m s ILE 23 Cb -0.11 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 2e7m s ILE 23 CO 0.01 0.32 -0.03 0.27 0.00 0.00 0.00 174.94 175.51 2e7m s ILE 24 N 1.13 2.57 -0.04 2.92 -4.36 -0.50 -4.99 121.20 117.94 2e7m s ILE 24 Ca -0.06 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 2e7m s ILE 24 Cb -0.14 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.86 2e7m s ILE 24 CO -0.01 -0.22 -0.04 -0.89 0.24 0.00 0.00 174.94 174.01 2e7m s THR 25 N -2.53 0.48 0.83 8.37 2.01 -1.25 -0.02 115.64 123.53 2e7m s THR 25 Ca 0.34 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 2e7m s THR 25 Cb -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.01 2e7m s THR 25 CO 0.18 0.20 0.51 0.18 -0.69 0.00 0.00 174.62 175.01 2e7m n LEU 26 N 3.87 0.59 0.25 4.42 4.77 -0.79 -2.42 117.00 127.69 2e7m n LEU 26 Ca -0.24 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2e7m n LEU 26 Cb 0.52 -1.23 0.59 0.00 -2.33 0.00 0.00 43.42 40.97 2e7m n LEU 26 CO 0.24 -3.26 0.90 1.55 -1.33 0.00 0.00 177.39 175.49 2e7m h PRO 27 N -0.93 0.00 -5.50 3.23 0.13 -1.93 -3.40 132.00 123.60 2e7m h PRO 27 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 2e7m h PRO 27 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2e7m h PRO 27 CO 0.39 0.13 1.59 -0.25 -0.23 0.00 0.00 178.00 179.63 2e7m n ASP 28 N -3.32 1.10 -0.30 1.44 9.92 -1.01 -4.74 116.55 119.63 2e7m n ASP 28 Ca -0.00 0.20 0.08 0.00 -0.53 0.00 0.00 54.79 54.55 2e7m n ASP 28 Cb 0.35 -1.10 0.17 0.00 -0.64 0.00 0.00 41.12 39.90 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 10.73 2.15 -4.41 -2.24 0.23 -1.26 -3.89 115.26 116.57 2e7m n ASN 29 Ca 0.54 -3.40 -0.32 0.00 -0.53 0.00 0.00 54.58 50.87 2e7m n ASN 29 Cb 0.15 -0.47 -0.14 0.00 -2.08 0.00 0.00 39.78 37.23 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 -3.02 2.33 -0.05 -3.83 2.02 -1.26 -2.85 118.70 112.04 2e7m s GLU 30 Ca 0.35 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.47 2e7m s GLU 30 Cb 0.32 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 32.32 2e7m s GLU 30 CO -0.01 0.60 0.17 0.54 0.02 0.00 0.00 175.26 176.58 2e7m s VAL 31 N -0.69 0.02 -0.35 2.63 0.11 -1.18 -4.97 120.40 115.97 2e7m s VAL 31 Ca 0.11 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2e7m s VAL 31 Cb -0.10 -0.29 0.08 0.00 -1.53 0.00 0.00 36.38 34.53 2e7m s VAL 31 CO 0.00 -0.08 0.08 -0.70 -3.33 0.00 0.00 175.10 171.08 2e7m s GLU 32 N -0.22 2.15 0.28 1.54 2.12 -1.26 -1.65 118.70 121.67 2e7m s GLU 32 Ca -0.03 -1.55 -0.06 0.00 0.36 0.00 0.00 54.97 53.69 2e7m s GLU 32 Cb -0.03 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 2e7m s GLU 32 CO 0.01 -0.83 0.56 -0.51 -0.54 0.00 0.00 175.26 173.94 2e7m s LEU 33 N 1.17 4.07 0.00 2.70 1.43 0.52 -4.89 118.68 123.68 2e7m s LEU 33 Ca 0.02 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2e7m s LEU 33 Cb -0.21 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 2e7m s LEU 33 CO -0.03 -0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 175.57 2e7m s LYS 34 N -3.41 0.44 0.09 1.70 2.20 -1.26 -0.56 119.74 118.94 2e7m s LYS 34 Ca 0.45 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2e7m s LYS 34 Cb -0.11 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 2e7m s LYS 34 CO 0.28 0.11 0.15 0.00 -0.36 0.00 0.00 175.35 175.53 2e7m s ALA 35 N -0.27 3.75 -0.13 3.13 0.00 -0.33 -4.25 121.76 123.66 2e7m s ALA 35 Ca 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2e7m s ALA 35 Cb -0.03 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2e7m s ALA 35 CO -0.00 0.73 -0.02 -0.06 0.00 0.00 0.00 175.76 176.41 2e7m s PHE 36 N -1.50 1.23 -0.20 0.00 0.40 0.73 -4.95 117.98 113.68 2e7m s PHE 36 Ca 0.32 -0.71 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 2e7m s PHE 36 Cb -0.12 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 2e7m s PHE 36 CO 0.25 -0.51 0.06 0.08 0.70 0.00 0.00 175.22 175.80 2e7m s VAL 37 N 1.79 4.60 -0.11 -0.44 1.01 -1.26 -0.90 120.40 125.08 2e7m s VAL 37 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2e7m s VAL 37 Cb -0.14 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2e7m s VAL 37 CO -0.07 0.42 -0.13 0.00 0.00 0.00 0.00 175.10 175.32 2e7m s ALA 38 N 0.73 1.60 0.59 5.51 0.00 -1.05 -1.15 121.76 127.99 2e7m s ALA 38 Ca 0.03 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 2e7m s ALA 38 Cb -0.13 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2e7m s ALA 38 CO 0.02 -0.15 1.12 -1.25 0.00 0.00 0.00 175.76 175.50 2e7m s PRO 39 N 1.14 3.13 0.40 0.00 0.04 -1.26 -2.07 135.00 136.38 2e7m s PRO 39 Ca -0.04 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 2e7m s PRO 39 Cb -0.14 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2e7m s PRO 39 CO -0.03 -1.01 1.05 0.00 0.04 0.00 0.00 177.00 177.04 2e7m s ALA 40 N -2.00 3.09 0.59 8.56 0.00 -0.30 -4.97 121.76 126.72 2e7m s ALA 40 Ca 0.70 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 2e7m s ALA 40 Cb -0.22 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2e7m s ALA 40 CO 0.33 -0.20 1.12 -1.25 0.00 0.00 0.00 175.76 175.76 2e7m s PRO 41 N -2.51 3.12 0.00 0.00 0.04 -1.26 -5.05 135.00 129.33 2e7m s PRO 41 Ca 0.58 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2e7m s PRO 41 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2e7m s PRO 41 CO 0.27 -1.02 0.00 -0.35 0.04 0.00 0.00 177.00 175.94 2e7m n PRO 42 N -1.78 -0.39 0.03 0.56 -0.04 -1.18 -4.98 135.00 127.22 2e7m n PRO 42 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2e7m n PRO 42 Cb 0.51 0.00 -0.11 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 -1.20 1.33 0.00 0.52 3.04 -2.05 -3.39 116.25 114.50 2e7m h VAL 43 Ca 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 2e7m h VAL 43 Cb 0.00 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2e7m h VAL 43 CO 0.00 0.67 0.00 -0.62 -1.01 0.00 0.00 177.57 176.61 2e7m n GLU 44 N -3.97 0.00 -2.30 4.17 1.02 -1.26 -4.80 120.64 113.50 2e7m n GLU 44 Ca -0.11 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 57.02 2e7m n GLU 44 Cb 0.82 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 31.13 2e7m n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2e7m s THR 45 N -1.43 3.48 -0.04 2.62 2.01 -1.26 -5.03 115.64 116.00 2e7m s THR 45 Ca 0.00 1.18 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 2e7m s THR 45 Cb 0.00 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2e7m s THR 45 CO 0.00 0.15 0.07 0.42 -0.69 0.00 0.00 174.62 174.58 2e7m s THR 46 N 0.34 -0.10 1.12 -0.82 -4.23 -1.26 -3.12 115.64 107.57 2e7m s THR 46 Ca 0.57 0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 61.24 2e7m s THR 46 Cb -0.34 -0.15 0.26 0.00 1.34 0.00 0.00 72.50 73.60 2e7m s THR 46 CO 0.35 0.12 1.05 -0.31 -0.54 0.00 0.00 174.62 175.29 2e7m s TYR 47 N 1.56 1.56 -0.19 3.99 2.02 -1.26 -5.02 117.35 120.01 2e7m s TYR 47 Ca -0.03 1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 57.74 2e7m s TYR 47 Cb -0.12 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 2e7m s TYR 47 CO -0.04 -3.61 0.00 -0.80 -1.57 0.00 0.00 175.55 169.53 2e7m s ASN 48 N -2.78 4.92 -0.43 2.29 -0.87 -1.26 -5.04 114.94 111.77 2e7m s ASN 48 Ca 0.68 -0.15 -0.16 0.00 -1.57 0.00 0.00 52.86 51.66 2e7m s ASN 48 Cb -0.23 -1.83 0.03 0.00 -0.02 0.00 0.00 41.25 39.20 2e7m s ASN 48 CO 0.63 0.10 0.35 -0.31 -2.57 0.00 0.00 177.10 175.29 2e7m s TYR 49 N 0.81 3.23 -0.34 2.20 1.51 -1.26 -4.11 117.35 119.38 2e7m s TYR 49 Ca 0.00 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2e7m s TYR 49 Cb -0.14 -2.79 0.07 0.00 -0.11 0.00 0.00 41.96 38.99 2e7m s TYR 49 CO 0.02 -0.67 0.07 -2.00 -1.11 0.00 0.00 175.55 171.87 2e7m s GLU 50 N 1.76 2.27 0.26 -0.62 2.12 -1.15 -4.20 118.70 119.14 2e7m s GLU 50 Ca 0.06 -1.46 -0.11 0.00 0.36 0.00 0.00 54.97 53.82 2e7m s GLU 50 Cb -0.20 -3.33 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 2e7m s GLU 50 CO 0.10 -0.78 0.60 -1.58 -0.54 0.00 0.00 175.26 173.06 2e7m s TRP 51 N 1.21 3.41 -0.06 5.30 0.52 0.94 0.04 118.94 130.30 2e7m s TRP 51 Ca -0.00 0.97 -0.26 0.00 0.02 0.00 0.00 56.10 56.83 2e7m s TRP 51 Cb -0.21 -2.34 0.06 0.00 -1.15 0.00 0.00 33.47 29.83 2e7m s TRP 51 CO -0.02 0.22 0.58 -0.80 0.02 0.00 0.00 176.95 176.95 2e7m s ASN 52 N -2.34 -0.54 -0.32 2.95 0.01 -1.12 -4.01 114.94 109.56 2e7m s ASN 52 Ca 0.49 0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 53.15 2e7m s ASN 52 Cb -0.11 0.57 -0.03 0.00 0.41 0.00 0.00 41.25 42.10 2e7m s ASN 52 CO 0.20 -0.52 0.22 -0.22 -1.51 0.00 0.00 177.10 175.27 2e7m s LEU 53 N -1.04 4.34 -0.07 0.60 2.96 -1.26 -1.04 118.68 123.18 2e7m s LEU 53 Ca -0.10 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 2e7m s LEU 53 Cb -0.02 -2.12 -0.13 0.00 0.50 0.00 0.00 46.19 44.42 2e7m s LEU 53 CO 0.07 -0.18 0.09 2.30 -1.32 0.00 0.00 176.35 177.32 2e7m n ILE 54 N 5.08 0.44 -4.06 6.68 -0.00 -1.16 -4.93 119.36 121.41 2e7m n ILE 54 Ca -0.13 -0.34 -0.32 0.00 -0.00 0.00 0.00 62.75 61.96 2e7m n ILE 54 Cb 0.50 -0.42 -0.15 0.00 -0.00 0.00 0.00 39.64 39.57 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 -3.83 4.19 -0.10 7.28 0.15 -1.24 -5.03 113.70 115.11 2e7m s SER 55 Ca -0.04 -1.26 -0.30 0.00 0.70 0.00 0.00 55.95 55.04 2e7m s SER 55 Cb 0.04 -1.50 0.11 0.00 -1.71 0.00 0.00 66.02 62.96 2e7m s SER 55 CO 0.40 -0.17 0.92 -1.38 1.20 0.00 0.00 173.24 174.21 2e7m s HIS 56 N 1.16 -0.41 0.92 3.44 -3.43 -1.26 -1.28 115.29 114.43 2e7m s HIS 56 Ca -0.07 0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 54.68 2e7m s HIS 56 Cb -0.19 0.47 0.14 0.00 -1.43 0.00 0.00 32.58 31.57 2e7m s HIS 56 CO -0.06 -0.43 1.09 -1.25 -2.00 0.00 0.00 174.74 172.09 2e7m s PRO 57 N -1.61 1.08 0.24 -0.38 0.04 -1.26 -4.97 135.00 128.15 2e7m s PRO 57 Ca -0.02 0.76 0.11 0.00 0.04 0.00 0.00 61.00 61.90 2e7m s PRO 57 Cb -0.01 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2e7m s PRO 57 CO 0.00 -2.34 1.50 0.00 0.04 0.00 0.00 177.00 176.20 2e7m h THR 58 N -1.62 1.37 0.00 1.26 1.03 -2.01 -3.09 112.91 109.85 2e7m h THR 58 Ca -0.50 -2.48 -0.04 0.00 -0.01 0.00 0.00 66.41 63.38 2e7m h THR 58 Cb 1.29 2.38 -0.01 0.00 -1.07 0.00 0.00 68.15 70.75 2e7m h THR 58 CO 0.55 0.68 -0.17 0.44 -0.01 0.00 0.00 175.52 177.01 2e7m h ASP 59 N 0.00 0.00 -2.48 0.00 3.32 -1.97 -3.44 116.42 111.85 2e7m h ASP 59 Ca -0.01 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2e7m h ASP 59 Cb 1.33 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.96 2e7m h ASP 59 CO 0.09 0.17 0.42 0.00 -1.72 0.00 0.00 179.24 178.20 2e7m n TYR 60 N -3.73 1.76 0.00 4.55 9.36 -1.17 -4.88 117.16 123.04 2e7m n TYR 60 Ca -0.02 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2e7m n TYR 60 Cb 0.29 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 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 1.59 2.22 -1.05 2.98 6.02 -1.26 -5.03 117.38 122.85 2e7m n GLN 61 Ca 0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 2e7m n GLN 61 Cb 0.30 -0.84 0.05 0.00 1.02 0.00 0.00 30.24 30.76 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 2.34 -3.77 3.11 1.08 0.00 -1.26 -4.98 105.19 101.70 2e7m n GLY 62 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.07 2.07 -0.10 1.61 -1.05 -1.26 -5.13 118.70 112.76 2e7m s GLU 63 Ca 0.48 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.67 2e7m s GLU 63 Cb -0.26 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 2e7m s GLU 63 CO 0.75 0.13 0.05 0.42 0.95 0.00 0.00 175.26 177.57 2e7m s ILE 64 N 0.38 4.74 -0.57 1.83 1.01 -1.26 -4.86 121.20 122.46 2e7m s ILE 64 Ca -0.12 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2e7m s ILE 64 Cb -0.15 -3.02 0.39 0.00 0.01 0.00 0.00 42.46 39.68 2e7m s ILE 64 CO 0.05 0.61 1.15 0.29 0.00 0.00 0.00 174.94 177.04 2e7m n LYS 65 N 2.13 2.70 -1.95 2.79 5.02 -1.26 -4.85 118.16 122.73 2e7m n LYS 65 Ca -0.19 -1.51 -0.15 0.00 -2.02 0.00 0.00 58.31 54.44 2e7m n LYS 65 Cb 0.54 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.21 -1.70 -2.34 1.97 6.02 -1.26 -3.72 117.38 116.57 2e7m n GLN 66 Ca 0.16 0.81 -0.06 0.00 -0.01 0.00 0.00 57.00 57.90 2e7m n GLN 66 Cb 0.76 -5.27 0.01 0.00 1.02 0.00 0.00 30.24 26.76 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 -0.59 0.03 0.00 1.08 0.00 -1.26 -0.04 105.19 104.41 2e7m n GLY 67 Ca -0.17 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.74 0.00 -4.57 1.61 8.25 -1.24 -4.05 115.22 115.96 2e7m n HIS 68 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 2e7m n HIS 68 Cb 0.35 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e7m n LYS 69 N -1.20 0.97 0.09 -0.41 4.76 -1.26 -4.67 118.16 116.45 2e7m n LYS 69 Ca 0.06 -3.05 0.09 0.00 -2.87 0.00 0.00 58.31 52.54 2e7m n LYS 69 Cb 0.07 0.78 0.41 0.00 -1.84 0.00 0.00 35.03 34.45 2e7m n LYS 69 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2e7m n GLN 70 N -1.08 0.11 -4.98 1.97 7.27 -1.26 -4.64 117.38 114.77 2e7m n GLN 70 Ca -0.16 0.41 -0.29 0.00 0.07 0.00 0.00 57.00 57.03 2e7m n GLN 70 Cb 0.53 -1.74 -0.15 0.00 2.41 0.00 0.00 30.24 31.29 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 -3.23 1.94 -0.19 1.69 -4.23 -1.26 -1.18 115.64 109.18 2e7m s THR 71 Ca 0.04 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 2e7m s THR 71 Cb 0.08 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.30 2e7m s THR 71 CO 0.29 0.41 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.38 2e7m s LEU 72 N -0.94 2.28 -0.14 4.79 0.20 0.28 -4.67 118.68 120.48 2e7m s LEU 72 Ca 0.10 -0.66 -0.03 0.00 0.69 0.00 0.00 54.13 54.23 2e7m s LEU 72 Cb -0.09 -1.51 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2e7m s LEU 72 CO 0.01 -0.01 -0.04 0.20 -0.29 0.00 0.00 176.35 176.21 2e7m s ASN 73 N 1.30 4.78 0.26 3.68 0.01 -1.26 -0.35 114.94 123.36 2e7m s ASN 73 Ca 0.04 -0.11 0.10 0.00 -0.71 0.00 0.00 52.86 52.19 2e7m s ASN 73 Cb -0.13 -1.69 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 2e7m s ASN 73 CO -0.12 0.20 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.85 2e7m s LEU 74 N 0.16 3.01 0.23 0.60 1.02 -0.66 -4.86 118.68 118.18 2e7m s LEU 74 Ca -0.02 -0.74 -0.09 0.00 0.02 0.00 0.00 54.13 53.30 2e7m s LEU 74 Cb -0.14 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 2e7m s LEU 74 CO 0.03 0.02 0.35 -0.94 0.02 0.00 0.00 176.35 175.83 2e7m s SER 75 N -3.56 -0.01 -1.20 2.29 1.04 -1.26 -3.10 113.70 107.91 2e7m s SER 75 Ca 0.30 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 2e7m s SER 75 Cb -0.06 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.67 2e7m s SER 75 CO 0.18 -1.03 0.43 0.00 0.98 0.00 0.00 173.24 173.80 2e7m n GLN 76 N -0.33 -2.59 -2.54 4.02 6.02 -1.25 -4.78 117.38 115.93 2e7m n GLN 76 Ca -0.01 0.29 -0.36 0.00 -0.01 0.00 0.00 57.00 56.91 2e7m n GLN 76 Cb 0.63 -4.92 -0.04 0.00 1.02 0.00 0.00 30.24 26.93 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 -6.41 4.05 0.51 1.08 1.43 -1.13 -4.52 118.68 113.68 2e7m s LEU 77 Ca 0.45 2.01 0.05 0.00 -1.03 0.00 0.00 54.13 55.60 2e7m s LEU 77 Cb -0.25 -4.30 0.01 0.00 0.03 0.00 0.00 46.19 41.68 2e7m s LEU 77 CO 0.55 -0.58 0.30 -0.44 0.23 0.00 0.00 176.35 176.40 2e7m s SER 78 N -1.69 4.54 -0.00 2.29 0.01 -1.26 -4.75 113.70 112.84 2e7m s SER 78 Ca 0.61 -1.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 2e7m s SER 78 Cb -0.20 0.20 -0.06 0.00 0.21 0.00 0.00 66.02 66.17 2e7m s SER 78 CO 0.25 -0.93 1.41 -0.69 0.41 0.00 0.00 173.24 173.69 2e7m s VAL 79 N -2.74 3.70 0.00 3.43 1.01 -1.26 -4.60 120.40 119.94 2e7m s VAL 79 Ca 0.32 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2e7m s VAL 79 Cb -0.01 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2e7m s VAL 79 CO 0.19 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2e7m n GLY 80 N 3.66 1.43 3.80 4.51 0.00 -1.23 -4.96 105.19 112.41 2e7m n GLY 80 Ca 0.13 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 4.51 -0.07 0.99 2.96 -1.26 -3.00 118.68 122.81 2e7m s LEU 81 Ca 0.00 1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 2e7m s LEU 81 Cb 0.00 -3.14 0.04 0.00 0.50 0.00 0.00 46.19 43.59 2e7m s LEU 81 CO 0.00 0.21 0.12 -0.31 -1.32 0.00 0.00 176.35 175.05 2e7m s TYR 82 N -1.21 -0.09 -0.26 5.38 2.02 -0.79 -3.99 117.35 118.41 2e7m s TYR 82 Ca 0.34 0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2e7m s TYR 82 Cb -0.20 -0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.08 2e7m s TYR 82 CO 0.21 -0.23 -0.06 0.08 -1.57 0.00 0.00 175.55 173.99 2e7m s VAL 83 N 2.12 2.83 -0.21 0.71 1.01 -0.40 -0.52 120.40 125.93 2e7m s VAL 83 Ca 0.02 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2e7m s VAL 83 Cb -0.12 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2e7m s VAL 83 CO -0.05 0.13 0.11 -0.36 0.00 0.00 0.00 175.10 174.93 2e7m s PHE 84 N 1.29 3.31 -0.34 5.22 0.08 -0.76 -2.98 117.98 123.79 2e7m s PHE 84 Ca -0.02 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 2e7m s PHE 84 Cb -0.17 -2.16 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2e7m s PHE 84 CO -0.04 0.15 0.10 0.21 -0.10 0.00 0.00 175.22 175.55 2e7m s LYS 85 N 0.59 2.51 -0.58 0.44 2.20 -0.20 -2.00 119.74 122.70 2e7m s LYS 85 Ca 0.06 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.12 2e7m s LYS 85 Cb -0.12 -3.43 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2e7m s LYS 85 CO 0.01 -0.72 1.04 0.54 -0.36 0.00 0.00 175.35 175.85 2e7m s VAL 86 N 1.34 4.24 -0.55 4.02 0.11 -1.11 -2.80 120.40 125.65 2e7m s VAL 86 Ca -0.01 0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.23 2e7m s VAL 86 Cb -0.20 -4.63 0.05 0.00 -1.53 0.00 0.00 36.38 30.07 2e7m s VAL 86 CO 0.01 -1.25 0.88 -0.89 -3.33 0.00 0.00 175.10 170.52 2e7m s THR 87 N 4.36 4.48 -0.27 5.04 2.01 0.11 -0.79 115.64 130.57 2e7m s THR 87 Ca 0.34 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 2e7m s THR 87 Cb -0.11 -4.50 0.04 0.00 0.01 0.00 0.00 72.50 67.94 2e7m s THR 87 CO 0.20 -1.07 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.32 2e7m s VAL 88 N 3.70 2.73 0.08 3.82 1.01 0.20 -2.91 120.40 129.02 2e7m s VAL 88 Ca 0.27 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2e7m s VAL 88 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2e7m s VAL 88 CO 0.17 0.03 -0.06 -0.94 0.00 0.00 0.00 175.10 174.31 2e7m s SER 89 N 1.24 0.89 0.28 3.32 1.04 -1.26 0.16 113.70 119.38 2e7m s SER 89 Ca -0.04 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.49 2e7m s SER 89 Cb -0.19 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2e7m s SER 89 CO -0.04 -0.46 0.10 -1.54 0.98 0.00 0.00 173.24 172.28 2e7m n SER 90 N 0.24 1.11 -0.36 7.02 3.41 -0.22 -4.42 113.62 120.40 2e7m n SER 90 Ca -0.14 -2.52 0.03 0.00 -0.26 0.00 0.00 58.87 55.98 2e7m n SER 90 Cb 0.60 0.73 0.19 0.00 -0.26 0.00 0.00 64.21 65.47 2e7m n SER 90 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2e7m h GLU 91 N 0.00 1.12 -0.26 4.33 4.11 -2.02 -2.94 114.58 118.92 2e7m h GLU 91 Ca -0.22 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 58.93 2e7m h GLU 91 Cb 0.85 -0.25 -0.25 0.00 0.50 0.00 0.00 28.75 29.60 2e7m h GLU 91 CO 0.35 0.74 -0.78 0.09 0.07 0.00 0.00 179.01 179.48 2e7m n ASN 92 N -4.51 2.40 -3.92 3.06 3.02 -1.26 -5.04 115.26 109.02 2e7m n ASN 92 Ca 0.16 -3.23 -0.09 0.00 -0.03 0.00 0.00 54.58 51.39 2e7m n ASN 92 Cb 0.20 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e7m s ALA 93 N -2.76 -0.45 -0.29 5.41 0.00 -1.11 0.50 121.76 123.06 2e7m s ALA 93 Ca 0.39 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 2e7m s ALA 93 Cb 0.38 0.97 0.12 0.00 0.00 0.00 0.00 23.12 24.59 2e7m s ALA 93 CO -0.06 -0.83 0.85 0.12 0.00 0.00 0.00 175.76 175.85 2e7m s PHE 94 N -3.97 -0.81 0.05 0.00 5.36 -0.74 -1.06 117.98 116.82 2e7m s PHE 94 Ca 0.18 1.58 -0.19 0.00 -0.96 0.00 0.00 56.93 57.54 2e7m s PHE 94 Cb -0.01 0.48 0.04 0.00 -0.34 0.00 0.00 43.02 43.20 2e7m s PHE 94 CO 0.05 -0.40 0.43 0.20 -1.46 0.00 0.00 175.22 174.03 2e7m s GLY 95 N 1.65 -0.30 -0.02 13.12 0.00 0.42 -2.65 107.32 119.55 2e7m s GLY 95 Ca -0.09 0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.87 2e7m s GLY 95 CO -0.17 0.06 0.20 -0.54 0.00 0.00 0.00 173.10 172.66 2e7m s GLU 96 N -2.56 0.48 0.41 2.90 2.02 -1.26 0.60 118.70 121.28 2e7m s GLU 96 Ca -0.05 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.82 2e7m s GLU 96 Cb -0.01 0.21 -0.07 0.00 0.10 0.00 0.00 34.13 34.36 2e7m s GLU 96 CO -0.03 -0.11 0.02 0.20 0.02 0.00 0.00 175.26 175.35 2e7m s GLY 97 N -1.03 2.50 -0.20 -1.39 0.00 0.03 -4.36 107.32 102.88 2e7m s GLY 97 Ca -0.11 -2.09 -0.06 0.00 0.00 0.00 0.00 44.72 42.46 2e7m s GLY 97 CO 0.02 -2.07 0.40 -1.36 0.00 0.00 0.00 173.10 170.09 2e7m s PHE 98 N -2.81 -0.76 -0.07 1.90 0.40 -1.26 -2.77 117.98 112.61 2e7m s PHE 98 Ca 0.32 1.41 -0.00 0.00 -0.60 0.00 0.00 56.93 58.06 2e7m s PHE 98 Cb 0.09 0.25 0.03 0.00 0.51 0.00 0.00 43.02 43.89 2e7m s PHE 98 CO 0.16 -0.49 -0.02 0.54 0.70 0.00 0.00 175.22 176.11 2e7m s VAL 99 N 2.59 0.50 -0.09 -0.44 0.11 -0.85 -4.75 120.40 117.47 2e7m s VAL 99 Ca -0.00 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 2e7m s VAL 99 Cb -0.12 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 2e7m s VAL 99 CO -0.13 0.26 0.26 0.20 -3.33 0.00 0.00 175.10 172.37 2e7m s ASN 100 N 1.57 6.53 -0.05 3.54 -0.87 -1.26 -1.84 114.94 122.57 2e7m s ASN 100 Ca -0.01 0.63 0.02 0.00 -1.57 0.00 0.00 52.86 51.93 2e7m s ASN 100 Cb -0.13 -2.16 0.02 0.00 -0.02 0.00 0.00 41.25 38.96 2e7m s ASN 100 CO -0.04 0.30 -0.08 -0.69 -2.57 0.00 0.00 177.10 174.03 2e7m s VAL 101 N -0.66 0.79 -0.09 1.60 1.01 0.32 -2.47 120.40 120.90 2e7m s VAL 101 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2e7m s VAL 101 Cb -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2e7m s VAL 101 CO 0.07 0.28 -0.06 -0.89 0.00 0.00 0.00 175.10 174.50 2e7m s THR 102 N 0.77 3.75 -0.41 3.92 2.01 -0.61 -1.88 115.64 123.18 2e7m s THR 102 Ca -0.13 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 2e7m s THR 102 Cb -0.15 -2.56 0.10 0.00 0.01 0.00 0.00 72.50 69.89 2e7m s THR 102 CO 0.02 0.57 0.23 -0.69 -0.69 0.00 0.00 174.62 174.06 2e7m s VAL 103 N -0.48 3.71 0.50 3.82 1.01 -1.16 -1.40 120.40 126.39 2e7m s VAL 103 Ca 0.07 -1.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.12 2e7m s VAL 103 Cb -0.12 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 2e7m s VAL 103 CO 0.02 -0.59 1.02 -0.54 0.00 0.00 0.00 175.10 175.01 2e7m s LYS 104 N 1.28 3.81 0.72 2.72 -0.14 0.97 -3.50 119.74 125.59 2e7m s LYS 104 Ca 0.05 1.27 -0.13 0.00 -1.36 0.00 0.00 55.97 55.80 2e7m s LYS 104 Cb -0.23 -2.10 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 2e7m s LYS 104 CO -0.01 -0.41 1.10 -1.25 -0.76 0.00 0.00 175.35 174.01 2e7m s PRO 105 N -3.41 2.51 -0.31 -1.68 0.04 -1.26 -1.89 135.00 128.99 2e7m s PRO 105 Ca 0.65 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 2e7m s PRO 105 Cb -0.15 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2e7m s PRO 105 CO 0.22 -1.46 2.26 0.00 0.04 0.00 0.00 177.00 178.06 2e7m s ALA 106 N -2.64 2.38 -0.15 8.56 0.00 -1.26 -4.21 121.76 124.43 2e7m s ALA 106 Ca 0.64 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2e7m s ALA 106 Cb -0.19 -4.16 0.15 0.00 0.00 0.00 0.00 23.12 18.92 2e7m s ALA 106 CO 0.49 -3.33 1.62 0.54 0.00 0.00 0.00 175.76 175.08 2e7m n ARG 107 N 8.84 1.39 -4.73 0.00 1.74 -1.26 -4.85 116.66 117.78 2e7m n ARG 107 Ca 0.32 -0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 56.23 2e7m n ARG 107 Cb 0.48 -1.33 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 2e7m n ARG 107 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2e7m s SER 108 N 0.69 4.34 0.00 0.55 0.15 -1.26 -4.97 113.70 113.19 2e7m s SER 108 Ca 0.16 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2e7m s SER 108 Cb 0.13 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2e7m s SER 108 CO 0.01 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2e7m n GLY 109 N 2.18 0.99 3.66 9.45 0.00 -1.26 -5.15 105.19 115.05 2e7m n GLY 109 Ca -0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 0.05 0.15 1.61 0.04 -1.26 -4.92 135.00 130.67 2e7m s PRO 110 Ca 0.00 0.39 -0.27 0.00 0.04 0.00 0.00 61.00 61.16 2e7m s PRO 110 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2e7m s PRO 110 CO 0.00 -2.96 1.40 0.45 0.04 0.00 0.00 177.00 175.93 2e7m n SER 111 N -4.31 -0.91 -4.08 6.66 2.88 -1.26 -4.55 113.62 108.05 2e7m n SER 111 Ca 0.06 1.61 -0.15 0.00 -1.33 0.00 0.00 58.87 59.07 2e7m n SER 111 Cb 0.58 -0.23 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 2e7m n SER 111 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e7m s SER 112 N -5.44 1.04 0.00 -3.46 1.04 -1.26 -5.33 113.70 100.29 2e7m s SER 112 Ca -0.11 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2e7m s SER 112 Cb 0.11 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2e7m s SER 112 CO 0.57 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.27