#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 7.12 -0.29 1.61 0.15 -1.26 -5.02 113.70 116.02 2e7m s SER 2 Ca 0.00 2.03 -0.14 0.00 0.70 0.00 0.00 55.95 58.54 2e7m s SER 2 Cb 0.00 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2e7m s SER 2 CO 0.00 -0.41 0.69 -0.94 1.20 0.00 0.00 173.24 173.79 2e7m s SER 3 N 0.77 -0.99 0.00 5.45 1.04 -1.26 -5.14 113.70 113.58 2e7m s SER 3 Ca 0.56 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2e7m s SER 3 Cb -0.29 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.51 2e7m s SER 3 CO 0.31 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2e7m n GLY 4 N 4.67 1.76 3.63 7.32 0.00 -1.26 -4.99 105.19 116.33 2e7m n GLY 4 Ca -0.17 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2e7m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7m s SER 5 N 0.00 6.78 -1.32 1.61 0.15 -1.26 -3.96 113.70 115.71 2e7m s SER 5 Ca 0.00 1.10 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 2e7m s SER 5 Cb 0.00 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.91 2e7m s SER 5 CO 0.00 -1.00 0.36 -1.54 1.20 0.00 0.00 173.24 172.26 2e7m n SER 6 N 7.30 -0.97 0.00 5.45 3.41 -1.26 -4.80 113.62 122.74 2e7m n SER 6 Ca 0.13 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2e7m n SER 6 Cb 0.47 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2e7m n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7m n GLY 7 N -1.11 -0.12 0.00 5.00 0.00 -1.25 -4.66 105.19 103.04 2e7m n GLY 7 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2e7m n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7m n PRO 8 N -0.34 0.49 -3.17 1.61 -0.04 -1.26 -4.46 135.00 127.83 2e7m n PRO 8 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 2e7m n PRO 8 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 2e7m n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2e7m s ARG 9 N -2.00 3.40 0.07 0.54 3.00 -1.26 -5.01 118.95 117.68 2e7m s ARG 9 Ca 0.18 -1.92 0.04 0.00 -1.00 0.00 0.00 55.73 53.03 2e7m s ARG 9 Cb 0.08 -4.50 -0.03 0.00 0.00 0.00 0.00 34.95 30.51 2e7m s ARG 9 CO 0.14 -1.48 -0.11 0.95 0.00 0.00 0.00 175.30 174.79 2e7m s THR 10 N 1.60 0.88 0.42 4.11 -4.23 -1.26 -4.92 115.64 112.23 2e7m s THR 10 Ca 0.19 -1.32 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 2e7m s THR 10 Cb -0.14 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 2e7m s THR 10 CO -0.04 -0.36 0.23 0.68 -0.54 0.00 0.00 174.62 174.59 2e7m s VAL 11 N -1.61 2.39 0.47 2.29 -7.23 -1.26 -4.97 120.40 110.47 2e7m s VAL 11 Ca -0.03 -1.60 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 2e7m s VAL 11 Cb -0.08 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 2e7m s VAL 11 CO 0.01 0.00 1.27 -0.54 -0.31 0.00 0.00 175.10 175.54 2e7m s LYS 12 N -3.97 3.65 -0.78 4.82 1.02 0.35 -4.82 119.74 120.01 2e7m s LYS 12 Ca 0.43 2.05 -0.17 0.00 0.02 0.00 0.00 55.97 58.31 2e7m s LYS 12 Cb 0.02 -2.49 0.16 0.00 -0.52 0.00 0.00 37.83 35.00 2e7m s LYS 12 CO 0.24 -0.72 0.83 -1.21 -0.92 0.00 0.00 175.35 173.57 2e7m s GLU 13 N -2.60 3.42 0.29 1.68 2.02 -1.26 -1.69 118.70 120.56 2e7m s GLU 13 Ca 0.63 -1.93 -0.19 0.00 0.02 0.00 0.00 54.97 53.50 2e7m s GLU 13 Cb -0.36 -4.51 -0.09 0.00 0.10 0.00 0.00 34.13 29.27 2e7m s GLU 13 CO 0.44 -1.49 0.79 -0.51 0.02 0.00 0.00 175.26 174.51 2e7m s LEU 14 N 1.58 4.21 -0.75 1.80 1.43 -1.12 -4.93 118.68 120.91 2e7m s LEU 14 Ca 0.19 1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 2e7m s LEU 14 Cb -0.14 -3.91 0.20 0.00 0.03 0.00 0.00 46.19 42.37 2e7m s LEU 14 CO -0.04 -0.10 0.67 -0.89 0.23 0.00 0.00 176.35 176.22 2e7m s THR 15 N -1.75 5.26 -0.20 5.49 2.01 -1.03 -4.58 115.64 120.85 2e7m s THR 15 Ca 0.50 -2.37 -0.26 0.00 0.31 0.00 0.00 61.69 59.86 2e7m s THR 15 Cb -0.14 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2e7m s THR 15 CO 0.19 -0.98 0.89 -0.69 -0.69 0.00 0.00 174.62 173.35 2e7m s VAL 16 N 0.38 4.82 -0.05 3.82 1.01 -1.26 -3.15 120.40 125.97 2e7m s VAL 16 Ca 0.15 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 2e7m s VAL 16 Cb -0.15 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.09 2e7m s VAL 16 CO -0.06 -0.05 0.10 -0.55 0.00 0.00 0.00 175.10 174.54 2e7m s SER 17 N 1.21 0.46 0.05 3.32 0.15 -0.49 -4.34 113.70 114.07 2e7m s SER 17 Ca 0.39 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 2e7m s SER 17 Cb -0.16 0.06 -0.32 0.00 -1.71 0.00 0.00 66.02 63.89 2e7m s SER 17 CO 0.10 -0.19 1.04 0.00 1.20 0.00 0.00 173.24 175.39 2e7m h ALA 18 N 7.84 -0.01 0.00 5.45 0.00 -1.86 0.47 119.26 131.15 2e7m h ALA 18 Ca -0.29 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2e7m h ALA 18 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2e7m h ALA 18 CO 0.30 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.82 2e7m n GLY 19 N 1.64 0.94 3.59 0.00 0.00 -1.26 -4.50 105.19 105.59 2e7m n GLY 19 Ca -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.42 -0.14 0.27 1.61 2.15 -1.26 -5.14 116.67 110.73 2e7m s ASP 20 Ca 0.00 -0.01 -0.29 0.00 0.43 0.00 0.00 52.55 52.67 2e7m s ASP 20 Cb 0.00 0.16 -0.14 0.00 -0.30 0.00 0.00 42.92 42.64 2e7m s ASP 20 CO 0.00 -0.26 1.15 -0.46 -0.17 0.00 0.00 175.17 175.43 2e7m n ASN 21 N -0.12 1.77 -4.31 -0.34 0.23 -1.26 -4.86 115.26 106.37 2e7m n ASN 21 Ca -0.01 1.17 -0.32 0.00 -0.53 0.00 0.00 54.58 54.90 2e7m n ASN 21 Cb 0.59 -1.33 -0.16 0.00 -2.08 0.00 0.00 39.78 36.80 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 0.21 2.23 -0.08 -4.53 2.01 -1.00 -5.03 118.68 112.49 2e7m s LEU 22 Ca 0.63 -0.45 0.04 0.00 0.01 0.00 0.00 54.13 54.36 2e7m s LEU 22 Cb -0.70 -1.42 -0.00 0.00 0.01 0.00 0.00 46.19 44.07 2e7m s LEU 22 CO 0.57 0.25 -0.22 -0.63 1.01 0.00 0.00 176.35 177.33 2e7m s ILE 23 N -0.20 1.88 0.30 -0.59 1.01 -1.26 -0.94 121.20 121.40 2e7m s ILE 23 Ca -0.02 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.79 2e7m s ILE 23 Cb -0.13 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 2e7m s ILE 23 CO 0.03 0.52 -0.12 0.27 0.00 0.00 0.00 174.94 175.65 2e7m s ILE 24 N 0.25 2.11 -0.07 2.92 -4.36 -0.26 -4.98 121.20 116.81 2e7m s ILE 24 Ca -0.14 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.02 2e7m s ILE 24 Cb -0.16 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.13 2e7m s ILE 24 CO 0.07 -0.32 -0.07 -0.89 0.24 0.00 0.00 174.94 173.96 2e7m s THR 25 N -2.72 0.84 0.85 8.37 2.01 -1.25 0.13 115.64 123.86 2e7m s THR 25 Ca 0.30 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 2e7m s THR 25 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 2e7m s THR 25 CO 0.14 0.31 0.29 0.18 -0.69 0.00 0.00 174.62 174.84 2e7m n LEU 26 N 4.29 -0.63 0.23 4.42 4.77 -0.86 -2.35 117.00 126.87 2e7m n LEU 26 Ca -0.19 0.43 0.16 0.00 -0.03 0.00 0.00 56.01 56.37 2e7m n LEU 26 Cb 0.51 -1.14 0.64 0.00 -2.33 0.00 0.00 43.42 41.10 2e7m n LEU 26 CO 0.21 -3.76 0.96 1.55 -1.33 0.00 0.00 177.39 175.02 2e7m h PRO 27 N -0.95 0.00 -5.24 3.23 0.13 -1.94 -3.40 132.00 123.83 2e7m h PRO 27 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 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 0.36 0.00 1.71 -0.25 -0.23 0.00 0.00 178.00 179.59 2e7m n ASP 28 N -2.82 1.08 -0.40 1.44 9.92 -0.99 -4.72 116.55 120.06 2e7m n ASP 28 Ca 0.01 -0.11 0.07 0.00 -0.53 0.00 0.00 54.79 54.23 2e7m n ASP 28 Cb 0.27 -1.18 0.18 0.00 -0.64 0.00 0.00 41.12 39.75 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 12.66 2.09 -4.25 -2.24 0.23 -1.26 -3.91 115.26 118.58 2e7m n ASN 29 Ca 0.55 -3.52 -0.30 0.00 -0.53 0.00 0.00 54.58 50.77 2e7m n ASN 29 Cb 0.24 -0.49 -0.16 0.00 -2.08 0.00 0.00 39.78 37.28 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 -3.07 2.25 -0.01 -3.83 2.02 -1.26 -2.96 118.70 111.84 2e7m s GLU 30 Ca 0.36 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 2e7m s GLU 30 Cb 0.33 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.59 2e7m s GLU 30 CO -0.02 0.39 0.10 0.54 0.02 0.00 0.00 175.26 176.30 2e7m s VAL 31 N -0.23 0.07 -0.31 2.63 0.11 -1.20 -4.98 120.40 116.49 2e7m s VAL 31 Ca -0.00 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2e7m s VAL 31 Cb -0.12 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.47 2e7m s VAL 31 CO 0.02 -0.31 -0.01 -0.70 -3.33 0.00 0.00 175.10 170.78 2e7m s GLU 32 N -1.04 1.98 0.30 1.54 2.12 -1.26 -1.79 118.70 120.54 2e7m s GLU 32 Ca -0.11 -1.57 -0.02 0.00 0.36 0.00 0.00 54.97 53.63 2e7m s GLU 32 Cb -0.06 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 2e7m s GLU 32 CO 0.01 -0.76 0.52 -0.51 -0.54 0.00 0.00 175.26 173.98 2e7m s LEU 33 N 1.06 4.07 0.01 2.70 1.43 -0.48 -4.90 118.68 122.56 2e7m s LEU 33 Ca 0.00 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 2e7m s LEU 33 Cb -0.20 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2e7m s LEU 33 CO -0.05 -0.21 -0.02 -0.75 0.23 0.00 0.00 176.35 175.54 2e7m s LYS 34 N -3.84 0.20 -0.06 1.70 2.20 -1.26 -0.92 119.74 117.77 2e7m s LYS 34 Ca 0.41 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2e7m s LYS 34 Cb -0.10 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 2e7m s LYS 34 CO 0.32 -0.02 0.04 0.00 -0.36 0.00 0.00 175.35 175.33 2e7m s ALA 35 N -0.88 3.46 -0.23 3.13 0.00 -0.63 -4.20 121.76 122.41 2e7m s ALA 35 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2e7m s ALA 35 Cb -0.06 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2e7m s ALA 35 CO -0.01 0.63 -0.11 -0.06 0.00 0.00 0.00 175.76 176.22 2e7m s PHE 36 N -1.01 3.04 -0.28 0.00 0.08 0.16 -4.95 117.98 115.03 2e7m s PHE 36 Ca 0.17 -1.75 -0.08 0.00 0.12 0.00 0.00 56.93 55.39 2e7m s PHE 36 Cb -0.12 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2e7m s PHE 36 CO 0.06 -0.78 0.09 0.08 -0.10 0.00 0.00 175.22 174.57 2e7m s VAL 37 N 1.26 4.20 -0.10 -0.44 1.01 -1.26 -1.39 120.40 123.68 2e7m s VAL 37 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2e7m s VAL 37 Cb -0.17 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2e7m s VAL 37 CO -0.07 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 174.98 2e7m s ALA 38 N 1.56 2.08 0.67 5.51 0.00 -1.19 -1.79 121.76 128.61 2e7m s ALA 38 Ca 0.04 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2e7m s ALA 38 Cb -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2e7m s ALA 38 CO 0.03 0.23 1.11 -1.25 0.00 0.00 0.00 175.76 175.88 2e7m s PRO 39 N 0.44 2.75 0.40 0.00 0.04 -1.26 -2.47 135.00 134.90 2e7m s PRO 39 Ca -0.17 1.37 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 2e7m s PRO 39 Cb -0.17 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2e7m s PRO 39 CO 0.07 -1.28 1.06 0.00 0.04 0.00 0.00 177.00 176.88 2e7m s ALA 40 N -2.39 3.08 0.47 8.56 0.00 -0.74 -4.98 121.76 125.77 2e7m s ALA 40 Ca 0.66 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 2e7m s ALA 40 Cb -0.20 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2e7m s ALA 40 CO 0.43 -0.25 1.16 -1.25 0.00 0.00 0.00 175.76 175.85 2e7m s PRO 41 N -2.50 3.69 0.12 0.00 0.04 -1.26 -5.05 135.00 130.04 2e7m s PRO 41 Ca 0.58 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2e7m s PRO 41 Cb -0.23 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.01 2e7m s PRO 41 CO 0.28 -0.60 0.11 -0.35 0.04 0.00 0.00 177.00 176.48 2e7m n PRO 42 N -0.63 -1.23 -0.05 0.56 -0.04 -1.22 -4.97 135.00 127.43 2e7m n PRO 42 Ca 0.08 -0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2e7m n PRO 42 Cb 0.49 -0.16 -0.08 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.63 1.37 0.22 0.52 3.04 -2.05 -3.37 116.25 114.36 2e7m h VAL 43 Ca -0.04 -1.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 2e7m h VAL 43 Cb 0.12 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2e7m h VAL 43 CO 0.03 0.44 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.59 2e7m h GLU 44 N 0.01 -0.29 -6.90 4.17 5.08 -2.05 -3.44 114.58 111.16 2e7m h GLU 44 Ca 0.01 0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.89 2e7m h GLU 44 Cb 0.83 0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.18 2e7m h GLU 44 CO 0.06 -0.19 0.48 0.99 -1.00 0.00 0.00 179.01 179.34 2e7m s THR 45 N -2.84 3.39 -0.00 1.13 2.01 -1.26 -5.05 115.64 113.01 2e7m s THR 45 Ca -0.04 1.22 -0.04 0.00 0.31 0.00 0.00 61.69 63.14 2e7m s THR 45 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 2e7m s THR 45 CO 0.13 0.16 0.08 0.42 -0.69 0.00 0.00 174.62 174.73 2e7m s THR 46 N -1.38 0.07 0.29 -0.82 -4.23 -1.26 -3.40 115.64 104.92 2e7m s THR 46 Ca 0.53 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2e7m s THR 46 Cb -0.29 -0.31 -0.05 0.00 1.34 0.00 0.00 72.50 73.18 2e7m s THR 46 CO 0.37 -0.31 0.54 -0.31 -0.54 0.00 0.00 174.62 174.37 2e7m s TYR 47 N -1.04 3.48 -0.22 3.99 2.02 -1.26 -5.03 117.35 119.29 2e7m s TYR 47 Ca -0.11 0.57 -0.09 0.00 -0.37 0.00 0.00 57.07 57.07 2e7m s TYR 47 Cb -0.06 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 2e7m s TYR 47 CO 0.01 0.17 0.12 -0.80 -1.57 0.00 0.00 175.55 173.48 2e7m s ASN 48 N -3.32 5.89 -0.37 2.29 0.01 -1.26 -5.02 114.94 113.16 2e7m s ASN 48 Ca 0.43 0.08 -0.13 0.00 -0.71 0.00 0.00 52.86 52.53 2e7m s ASN 48 Cb -0.11 -2.05 0.01 0.00 0.41 0.00 0.00 41.25 39.52 2e7m s ASN 48 CO 0.31 0.10 0.25 -0.31 -1.51 0.00 0.00 177.10 175.94 2e7m s TYR 49 N 0.86 3.23 -0.31 2.20 2.02 -1.26 -3.98 117.35 120.11 2e7m s TYR 49 Ca 0.06 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2e7m s TYR 49 Cb -0.13 -2.51 0.08 0.00 -0.40 0.00 0.00 41.96 39.00 2e7m s TYR 49 CO 0.03 -0.52 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.47 2e7m s GLU 50 N 1.66 1.90 0.28 -0.62 2.12 -1.10 -4.25 118.70 118.70 2e7m s GLU 50 Ca 0.05 -1.61 -0.12 0.00 0.36 0.00 0.00 54.97 53.65 2e7m s GLU 50 Cb -0.18 -3.10 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 2e7m s GLU 50 CO 0.09 -0.77 0.63 -1.58 -0.54 0.00 0.00 175.26 173.10 2e7m s TRP 51 N 1.03 3.41 -0.03 5.30 0.52 0.84 -0.81 118.94 129.19 2e7m s TRP 51 Ca 0.01 1.01 -0.25 0.00 0.02 0.00 0.00 56.10 56.89 2e7m s TRP 51 Cb -0.20 -2.37 0.05 0.00 -1.15 0.00 0.00 33.47 29.80 2e7m s TRP 51 CO -0.06 0.18 0.55 -0.80 0.02 0.00 0.00 176.95 176.84 2e7m s ASN 52 N -2.39 -0.50 -0.40 2.95 0.01 -1.00 -4.01 114.94 109.60 2e7m s ASN 52 Ca 0.50 0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 53.00 2e7m s ASN 52 Cb -0.11 0.46 0.03 0.00 0.41 0.00 0.00 41.25 42.04 2e7m s ASN 52 CO 0.20 -0.56 0.28 -0.22 -1.51 0.00 0.00 177.10 175.29 2e7m s LEU 53 N -1.26 5.03 -0.18 0.60 2.96 -1.26 -0.87 118.68 123.69 2e7m s LEU 53 Ca -0.12 -0.98 0.16 0.00 -0.22 0.00 0.00 54.13 52.97 2e7m s LEU 53 Cb -0.02 -2.11 -0.22 0.00 0.50 0.00 0.00 46.19 44.34 2e7m s LEU 53 CO 0.08 -0.45 0.06 2.30 -1.32 0.00 0.00 176.35 177.02 2e7m n ILE 54 N 5.10 1.25 -4.21 6.68 -0.00 -1.15 -4.91 119.36 122.12 2e7m n ILE 54 Ca -0.11 -0.77 -0.32 0.00 -0.00 0.00 0.00 62.75 61.54 2e7m n ILE 54 Cb 0.46 -0.53 -0.16 0.00 -0.00 0.00 0.00 39.64 39.41 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 -5.26 3.04 -0.20 7.28 0.15 -1.25 -5.03 113.70 112.44 2e7m s SER 55 Ca -0.09 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 55.64 2e7m s SER 55 Cb 0.05 -1.42 0.15 0.00 -1.71 0.00 0.00 66.02 63.09 2e7m s SER 55 CO 0.74 0.01 1.15 -1.38 1.20 0.00 0.00 173.24 174.96 2e7m s HIS 56 N 1.23 -0.22 1.02 3.44 -3.43 -1.26 -1.04 115.29 115.03 2e7m s HIS 56 Ca 0.03 0.35 -0.13 0.00 -0.80 0.00 0.00 55.06 54.51 2e7m s HIS 56 Cb -0.13 0.48 0.20 0.00 -1.43 0.00 0.00 32.58 31.69 2e7m s HIS 56 CO -0.10 -0.22 1.09 -1.25 -2.00 0.00 0.00 174.74 172.25 2e7m s PRO 57 N -1.30 0.23 0.17 -0.38 0.04 -1.26 -4.97 135.00 127.54 2e7m s PRO 57 Ca 0.04 0.46 0.09 0.00 0.04 0.00 0.00 61.00 61.63 2e7m s PRO 57 Cb -0.01 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2e7m s PRO 57 CO -0.03 -2.85 1.35 0.00 0.04 0.00 0.00 177.00 175.52 2e7m h THR 58 N -1.98 1.50 0.00 1.26 1.03 -2.01 -3.17 112.91 109.54 2e7m h THR 58 Ca -0.55 -3.02 -0.01 0.00 -0.01 0.00 0.00 66.41 62.82 2e7m h THR 58 Cb 1.33 2.68 -0.00 0.00 -1.07 0.00 0.00 68.15 71.09 2e7m h THR 58 CO 0.57 0.83 -0.06 0.44 -0.01 0.00 0.00 175.52 177.29 2e7m h ASP 59 N 0.00 0.00 -2.97 0.00 5.19 -1.97 -3.44 116.42 113.24 2e7m h ASP 59 Ca -0.01 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.82 2e7m h ASP 59 Cb 1.61 0.00 0.11 0.00 0.18 0.00 0.00 39.33 41.23 2e7m h ASP 59 CO 0.11 0.06 0.37 0.00 -3.12 0.00 0.00 179.24 176.66 2e7m n TYR 60 N -3.38 1.89 0.00 4.55 9.36 -1.20 -4.89 117.16 123.48 2e7m n TYR 60 Ca -0.02 0.61 0.00 0.00 3.32 0.00 0.00 57.90 61.81 2e7m n TYR 60 Cb 0.21 -2.35 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 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 0.67 1.02 -0.95 2.98 6.02 -1.26 -5.05 117.38 120.81 2e7m n GLN 61 Ca 0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.71 2e7m n GLN 61 Cb 0.34 -0.68 0.06 0.00 1.02 0.00 0.00 30.24 30.98 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 1.67 -4.01 3.12 1.08 0.00 -1.26 -4.98 105.19 100.80 2e7m n GLY 62 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.41 2.24 -0.08 1.61 1.03 -1.26 -5.13 118.70 114.70 2e7m s GLU 63 Ca 0.44 -0.62 -0.04 0.00 0.03 0.00 0.00 54.97 54.78 2e7m s GLU 63 Cb -0.19 -1.78 -0.04 0.00 -0.80 0.00 0.00 34.13 31.33 2e7m s GLU 63 CO 0.79 0.12 0.10 0.42 -1.33 0.00 0.00 175.26 175.36 2e7m s ILE 64 N 0.46 5.08 -0.44 1.83 1.01 -1.26 -4.86 121.20 123.02 2e7m s ILE 64 Ca -0.15 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.56 2e7m s ILE 64 Cb -0.16 -3.23 0.58 0.00 0.01 0.00 0.00 42.46 39.66 2e7m s ILE 64 CO 0.06 0.55 1.44 0.29 0.00 0.00 0.00 174.94 177.27 2e7m n LYS 65 N 1.80 3.57 -1.98 2.79 4.76 -1.26 -4.87 118.16 122.96 2e7m n LYS 65 Ca -0.18 -2.27 -0.16 0.00 -2.87 0.00 0.00 58.31 52.84 2e7m n LYS 65 Cb 0.54 -2.03 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e7m n GLN 66 N 0.29 -1.70 -2.50 1.97 6.02 -1.26 -3.61 117.38 116.61 2e7m n GLN 66 Ca 0.23 0.85 -0.21 0.00 -0.01 0.00 0.00 57.00 57.87 2e7m n GLN 66 Cb 1.00 -5.33 0.02 0.00 1.02 0.00 0.00 30.24 26.95 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 -0.62 0.10 0.05 1.08 0.00 -1.26 -0.11 105.19 104.43 2e7m n GLY 67 Ca -0.18 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 0.06 0.21 -4.02 1.61 8.25 -1.24 -4.15 115.22 115.95 2e7m n HIS 68 Ca -0.05 0.11 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 2e7m n HIS 68 Cb 0.41 -0.66 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 -1.71 1.02 0.00 -0.41 5.02 -1.26 -4.58 118.16 116.25 2e7m n LYS 69 Ca -0.00 -2.37 0.08 0.00 -2.02 0.00 0.00 58.31 53.99 2e7m n LYS 69 Cb 0.03 0.39 0.37 0.00 -0.02 0.00 0.00 35.03 35.81 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 -1.19 0.15 -4.89 1.97 7.27 -1.26 -4.64 117.38 114.79 2e7m n GLN 70 Ca -0.06 0.17 -0.26 0.00 0.07 0.00 0.00 57.00 56.93 2e7m n GLN 70 Cb 0.42 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.42 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 -2.71 1.45 -0.22 1.69 -4.23 -1.26 -1.60 115.64 108.77 2e7m s THR 71 Ca 0.12 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2e7m s THR 71 Cb 0.10 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.75 2e7m s THR 71 CO 0.25 0.41 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.41 2e7m s LEU 72 N -0.38 2.76 -0.20 4.79 0.20 -0.09 -4.68 118.68 121.08 2e7m s LEU 72 Ca 0.06 -0.72 -0.07 0.00 0.69 0.00 0.00 54.13 54.09 2e7m s LEU 72 Cb -0.08 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.04 2e7m s LEU 72 CO -0.00 -0.06 0.06 0.20 -0.29 0.00 0.00 176.35 176.26 2e7m s ASN 73 N 1.33 5.50 0.19 3.68 0.02 -1.26 -1.38 114.94 123.02 2e7m s ASN 73 Ca 0.03 0.01 0.07 0.00 -1.02 0.00 0.00 52.86 51.95 2e7m s ASN 73 Cb -0.15 -1.95 -0.04 0.00 0.02 0.00 0.00 41.25 39.13 2e7m s ASN 73 CO -0.07 0.12 0.02 -0.76 0.02 0.00 0.00 177.10 176.43 2e7m s LEU 74 N 0.69 3.36 0.18 0.60 1.02 -0.74 -4.86 118.68 118.92 2e7m s LEU 74 Ca 0.03 -0.40 -0.09 0.00 0.02 0.00 0.00 54.13 53.69 2e7m s LEU 74 Cb -0.13 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 2e7m s LEU 74 CO 0.02 0.07 0.30 -0.94 0.02 0.00 0.00 176.35 175.81 2e7m s SER 75 N -3.11 0.03 -1.30 2.29 1.04 -1.26 -3.25 113.70 108.15 2e7m s SER 75 Ca 0.29 -0.91 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 2e7m s SER 75 Cb -0.09 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.56 2e7m s SER 75 CO 0.19 -0.92 0.50 0.00 0.98 0.00 0.00 173.24 173.99 2e7m n GLN 76 N -0.24 -3.31 -2.57 4.02 6.02 -1.25 -4.73 117.38 115.32 2e7m n GLN 76 Ca -0.06 0.45 -0.37 0.00 -0.01 0.00 0.00 57.00 57.01 2e7m n GLN 76 Cb 0.63 -5.15 -0.04 0.00 1.02 0.00 0.00 30.24 26.69 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 -6.52 4.22 0.00 1.08 1.43 -1.16 -4.43 118.68 113.31 2e7m s LEU 77 Ca 0.42 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 2e7m s LEU 77 Cb -0.22 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 41.96 2e7m s LEU 77 CO 0.52 -0.39 0.44 -1.20 0.23 0.00 0.00 176.35 175.95 2e7m n SER 78 N 0.18 2.47 -4.64 2.29 7.64 -1.26 -4.76 113.62 115.53 2e7m n SER 78 Ca 0.04 -2.66 -0.43 0.00 1.01 0.00 0.00 58.87 56.83 2e7m n SER 78 Cb 0.49 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.45 4.14 0.00 0.44 1.01 -1.26 -4.61 120.40 117.68 2e7m s VAL 79 Ca 0.34 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2e7m s VAL 79 Cb -0.03 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2e7m s VAL 79 CO 0.21 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2e7m n GLY 80 N 4.09 0.34 3.86 4.51 0.00 -1.24 -4.98 105.19 111.78 2e7m n GLY 80 Ca 0.15 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 4.36 -0.07 0.99 2.96 -1.26 -2.90 118.68 122.76 2e7m s LEU 81 Ca 0.00 0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 54.76 2e7m s LEU 81 Cb 0.00 -3.00 0.04 0.00 0.50 0.00 0.00 46.19 43.73 2e7m s LEU 81 CO 0.00 0.17 0.13 -0.31 -1.32 0.00 0.00 176.35 175.03 2e7m s TYR 82 N -1.38 -0.13 -0.30 5.38 2.02 -0.99 -3.98 117.35 117.97 2e7m s TYR 82 Ca 0.33 0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 57.47 2e7m s TYR 82 Cb -0.14 -0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 2e7m s TYR 82 CO 0.18 -0.22 0.07 0.08 -1.57 0.00 0.00 175.55 174.09 2e7m s VAL 83 N 1.86 3.80 -0.24 0.71 1.01 -0.20 -0.82 120.40 126.51 2e7m s VAL 83 Ca -0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2e7m s VAL 83 Cb -0.12 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2e7m s VAL 83 CO -0.05 0.03 0.12 -0.36 0.00 0.00 0.00 175.10 174.84 2e7m s PHE 84 N 1.46 3.21 -0.38 5.22 0.08 -0.01 -2.93 117.98 124.62 2e7m s PHE 84 Ca 0.01 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 2e7m s PHE 84 Cb -0.18 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2e7m s PHE 84 CO 0.02 -0.11 0.22 0.21 -0.10 0.00 0.00 175.22 175.46 2e7m s LYS 85 N 1.30 2.83 -0.83 0.44 2.20 -0.05 -2.22 119.74 123.40 2e7m s LYS 85 Ca 0.06 -1.09 -0.20 0.00 -0.36 0.00 0.00 55.97 54.39 2e7m s LYS 85 Cb -0.15 -3.77 0.12 0.00 -1.51 0.00 0.00 37.83 32.52 2e7m s LYS 85 CO 0.05 -0.72 1.05 0.54 -0.36 0.00 0.00 175.35 175.91 2e7m s VAL 86 N 1.57 4.65 -0.50 4.02 0.11 -1.17 -2.39 120.40 126.69 2e7m s VAL 86 Ca 0.02 -1.25 -0.28 0.00 -2.93 0.00 0.00 61.98 57.54 2e7m s VAL 86 Cb -0.19 -4.73 0.03 0.00 -1.53 0.00 0.00 36.38 29.96 2e7m s VAL 86 CO 0.07 -1.46 1.12 -0.89 -3.33 0.00 0.00 175.10 170.61 2e7m s THR 87 N 2.97 4.21 -0.30 5.04 2.01 0.01 -2.84 115.64 126.74 2e7m s THR 87 Ca 0.28 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.37 2e7m s THR 87 Cb -0.09 -4.61 0.06 0.00 0.01 0.00 0.00 72.50 67.87 2e7m s THR 87 CO -0.03 -1.05 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.14 2e7m s VAL 88 N 4.45 2.67 0.16 3.82 1.01 0.15 -2.69 120.40 129.97 2e7m s VAL 88 Ca 0.45 -1.62 0.07 0.00 0.00 0.00 0.00 61.98 60.88 2e7m s VAL 88 Cb -0.08 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2e7m s VAL 88 CO 0.30 -0.18 -0.14 -0.55 0.00 0.00 0.00 175.10 174.53 2e7m s SER 89 N 1.21 2.25 0.23 3.32 0.15 -1.26 0.56 113.70 120.17 2e7m s SER 89 Ca -0.04 -0.93 0.02 0.00 0.70 0.00 0.00 55.95 55.71 2e7m s SER 89 Cb -0.20 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 2e7m s SER 89 CO -0.03 -0.17 0.09 -0.24 1.20 0.00 0.00 173.24 174.08 2e7m n SER 90 N 0.05 1.03 -0.12 5.45 2.88 -0.24 -4.18 113.62 118.48 2e7m n SER 90 Ca -0.12 -2.25 -0.07 0.00 -1.33 0.00 0.00 58.87 55.10 2e7m n SER 90 Cb 0.59 0.61 0.01 0.00 -0.75 0.00 0.00 64.21 64.68 2e7m n SER 90 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2e7m h GLU 91 N 0.00 0.43 -0.37 -1.46 4.81 -2.02 -3.14 114.58 112.84 2e7m h GLU 91 Ca -0.18 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.75 2e7m h GLU 91 Cb 0.70 -0.10 -0.25 0.00 0.63 0.00 0.00 28.75 29.73 2e7m h GLU 91 CO 0.29 0.29 -0.73 0.27 -0.73 0.00 0.00 179.01 178.39 2e7m n ASN 92 N -4.89 3.09 -3.89 1.04 0.23 -1.26 -5.03 115.26 104.54 2e7m n ASN 92 Ca 0.01 -3.56 -0.09 0.00 -0.53 0.00 0.00 54.58 50.42 2e7m n ASN 92 Cb 0.08 -0.43 -0.05 0.00 -2.08 0.00 0.00 39.78 37.31 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 -3.22 -0.57 -0.29 -2.53 0.00 -1.19 -0.50 121.76 113.47 2e7m s ALA 93 Ca 0.43 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 2e7m s ALA 93 Cb 0.39 0.95 0.11 0.00 0.00 0.00 0.00 23.12 24.57 2e7m s ALA 93 CO -0.03 -0.84 0.82 0.12 0.00 0.00 0.00 175.76 175.84 2e7m s PHE 94 N -3.95 -0.84 -0.09 0.00 5.36 -0.68 -1.08 117.98 116.69 2e7m s PHE 94 Ca 0.16 1.67 -0.17 0.00 -0.96 0.00 0.00 56.93 57.64 2e7m s PHE 94 Cb -0.01 0.50 0.04 0.00 -0.34 0.00 0.00 43.02 43.21 2e7m s PHE 94 CO 0.04 -0.42 0.41 0.20 -1.46 0.00 0.00 175.22 173.99 2e7m s GLY 95 N 1.56 -0.28 0.01 13.12 0.00 0.19 -2.78 107.32 119.14 2e7m s GLY 95 Ca -0.09 0.88 -0.00 0.00 0.00 0.00 0.00 44.72 45.50 2e7m s GLY 95 CO -0.18 0.67 -0.02 -0.54 0.00 0.00 0.00 173.10 173.04 2e7m s GLU 96 N -0.53 0.21 0.28 2.90 8.01 -1.26 0.32 118.70 128.62 2e7m s GLU 96 Ca -0.06 -0.41 0.02 0.00 0.01 0.00 0.00 54.97 54.52 2e7m s GLU 96 Cb -0.04 0.08 -0.05 0.00 -4.31 0.00 0.00 34.13 29.81 2e7m s GLU 96 CO 0.03 -0.03 0.09 0.20 0.01 0.00 0.00 175.26 175.55 2e7m s GLY 97 N -0.99 1.85 -0.04 -1.39 0.00 -1.13 -4.35 107.32 101.26 2e7m s GLY 97 Ca -0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.68 2e7m s GLY 97 CO -0.01 -1.66 0.09 -1.36 0.00 0.00 0.00 173.10 170.16 2e7m s PHE 98 N -3.62 -0.06 -0.08 1.90 0.40 -1.26 -3.06 117.98 112.20 2e7m s PHE 98 Ca 0.37 0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 2e7m s PHE 98 Cb 0.08 -0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.46 2e7m s PHE 98 CO 0.14 -0.14 0.16 0.54 0.70 0.00 0.00 175.22 176.63 2e7m s VAL 99 N 1.24 -0.16 0.17 -0.44 0.11 -0.94 -4.77 120.40 115.62 2e7m s VAL 99 Ca -0.08 0.27 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 2e7m s VAL 99 Cb -0.12 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2e7m s VAL 99 CO -0.04 0.11 0.20 0.54 -3.33 0.00 0.00 175.10 172.57 2e7m s ASN 100 N 1.75 5.79 -0.06 3.54 2.20 -1.26 -0.83 114.94 126.08 2e7m s ASN 100 Ca -0.03 -0.05 -0.02 0.00 -0.94 0.00 0.00 52.86 51.82 2e7m s ASN 100 Cb -0.12 -1.59 0.04 0.00 -2.00 0.00 0.00 41.25 37.58 2e7m s ASN 100 CO -0.06 0.04 0.12 -0.69 -2.94 0.00 0.00 177.10 173.57 2e7m s VAL 101 N -1.80 -0.11 -0.02 3.54 1.01 -0.00 -2.38 120.40 120.63 2e7m s VAL 101 Ca 0.32 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2e7m s VAL 101 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2e7m s VAL 101 CO 0.25 0.11 0.17 -0.89 0.00 0.00 0.00 175.10 174.74 2e7m s THR 102 N 1.54 5.36 -0.33 3.92 2.01 -0.12 -2.35 115.64 125.67 2e7m s THR 102 Ca -0.05 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2e7m s THR 102 Cb -0.12 -3.48 0.10 0.00 0.01 0.00 0.00 72.50 69.01 2e7m s THR 102 CO -0.05 0.36 0.04 -0.69 -0.69 0.00 0.00 174.62 173.59 2e7m s VAL 103 N -1.28 2.17 0.53 3.82 1.01 -1.14 -1.10 120.40 124.40 2e7m s VAL 103 Ca 0.25 -2.23 -0.18 0.00 0.00 0.00 0.00 61.98 59.82 2e7m s VAL 103 Cb -0.12 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 2e7m s VAL 103 CO 0.16 -0.56 1.05 -0.54 0.00 0.00 0.00 175.10 175.21 2e7m s LYS 104 N 0.97 3.60 0.71 2.72 -0.14 0.12 -3.59 119.74 124.14 2e7m s LYS 104 Ca 0.10 1.29 -0.13 0.00 -1.36 0.00 0.00 55.97 55.87 2e7m s LYS 104 Cb -0.19 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2e7m s LYS 104 CO -0.09 -0.59 1.10 -1.25 -0.76 0.00 0.00 175.35 173.76 2e7m s PRO 105 N -3.59 2.53 -0.35 -1.68 0.04 -1.26 -2.03 135.00 128.66 2e7m s PRO 105 Ca 0.66 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 2e7m s PRO 105 Cb -0.16 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 2e7m s PRO 105 CO 0.27 -1.44 2.31 0.00 0.04 0.00 0.00 177.00 178.18 2e7m n ALA 106 N -2.96 1.32 -2.31 8.56 0.00 -1.26 -4.26 120.51 119.60 2e7m n ALA 106 Ca 0.10 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2e7m n ALA 106 Cb 0.52 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 2e7m n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2e7m s ARG 107 N 7.18 4.46 -0.23 0.00 1.81 -1.26 -5.01 118.95 125.90 2e7m s ARG 107 Ca 1.01 1.79 -0.05 0.00 -1.72 0.00 0.00 55.73 56.76 2e7m s ARG 107 Cb -0.32 -3.32 -0.02 0.00 -0.45 0.00 0.00 34.95 30.85 2e7m s ARG 107 CO 0.33 -0.20 0.01 -1.12 -0.68 0.00 0.00 175.30 173.64 2e7m s SER 108 N 0.77 4.68 0.00 0.23 0.01 -1.26 -5.06 113.70 113.07 2e7m s SER 108 Ca 0.57 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2e7m s SER 108 Cb -0.30 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2e7m s SER 108 CO 0.31 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2e7m n GLY 109 N 4.81 0.17 0.00 3.44 0.00 -1.26 -4.98 105.19 107.36 2e7m n GLY 109 Ca -0.17 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.01 2e7m n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7m n PRO 110 N -0.09 0.49 -0.23 1.61 -0.04 -1.26 -4.06 135.00 131.42 2e7m n PRO 110 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 2e7m n PRO 110 Cb 0.00 -1.34 0.31 0.00 -0.04 0.00 0.00 33.50 32.43 2e7m n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e7m n SER 111 N -0.84 0.09 0.02 3.54 7.64 -1.26 -4.06 113.62 118.74 2e7m n SER 111 Ca 0.08 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2e7m n SER 111 Cb 0.04 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2e7m n SER 111 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e7m n SER 112 N -4.75 0.06 0.00 6.43 2.88 -1.26 -5.28 113.62 111.70 2e7m n SER 112 Ca 0.22 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2e7m n SER 112 Cb 0.73 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 2e7m n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42