#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 -0.08 -0.38 1.61 1.04 -1.26 -5.11 113.70 109.53 2e7m s SER 2 Ca 0.00 -0.40 -0.44 0.00 0.48 0.00 0.00 55.95 55.60 2e7m s SER 2 Cb 0.00 0.40 -0.18 0.00 0.10 0.00 0.00 66.02 66.33 2e7m s SER 2 CO 0.00 -0.74 1.64 -0.24 0.98 0.00 0.00 173.24 174.87 2e7m n SER 3 N 0.05 1.68 -3.76 7.02 2.88 -1.26 -4.93 113.62 115.30 2e7m n SER 3 Ca -0.16 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2e7m n SER 3 Cb 0.62 -1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 2e7m n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e7m s GLY 4 N 3.08 -0.14 0.43 0.46 0.00 -1.26 -5.18 107.32 104.71 2e7m s GLY 4 Ca 1.01 0.27 0.00 0.00 0.00 0.00 0.00 44.72 46.01 2e7m s GLY 4 CO 0.73 0.07 0.00 -1.14 0.00 0.00 0.00 173.10 172.76 2e7m n SER 5 N 1.20 3.20 -3.84 1.64 3.41 -1.26 -5.16 113.62 112.80 2e7m n SER 5 Ca -0.21 -2.89 -0.12 0.00 -0.26 0.00 0.00 58.87 55.39 2e7m n SER 5 Cb 0.56 0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.69 2e7m n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e7m s SER 6 N -3.37 -0.09 0.00 4.04 0.01 -1.26 -4.94 113.70 108.08 2e7m s SER 6 Ca 0.00 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2e7m s SER 6 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2e7m s SER 6 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2e7m n GLY 7 N 2.86 0.57 0.00 3.44 0.00 -1.26 -4.88 105.19 105.92 2e7m n GLY 7 Ca -0.13 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.22 -1.32 1.61 -0.04 -1.26 -3.89 135.00 130.33 2e7m n PRO 8 Ca 0.00 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 2e7m n PRO 8 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2e7m n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e7m n ARG 9 N -1.27 2.77 -3.14 0.54 1.74 -1.26 -4.84 116.66 111.19 2e7m n ARG 9 Ca 0.07 -1.90 -0.10 0.00 -0.77 0.00 0.00 57.85 55.15 2e7m n ARG 9 Cb 0.12 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.24 2e7m n ARG 9 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2e7m n THR 10 N 2.19 0.00 -2.69 0.55 5.66 -1.25 -5.10 114.28 113.63 2e7m n THR 10 Ca 0.54 -1.25 -0.24 0.00 -3.05 0.00 0.00 64.05 60.06 2e7m n THR 10 Cb 0.60 0.62 0.03 0.00 -1.55 0.00 0.00 70.33 70.03 2e7m n THR 10 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2e7m s VAL 11 N -2.69 3.44 0.76 1.08 -7.23 -1.26 -4.97 120.40 109.54 2e7m s VAL 11 Ca 0.20 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 59.86 2e7m s VAL 11 Cb 0.01 -3.31 0.05 0.00 0.56 0.00 0.00 36.38 33.69 2e7m s VAL 11 CO 0.14 -0.26 1.09 -0.54 -0.31 0.00 0.00 175.10 175.23 2e7m s LYS 12 N -4.77 2.28 -0.59 4.82 1.02 0.50 -4.86 119.74 118.14 2e7m s LYS 12 Ca 0.53 1.19 -0.05 0.00 0.02 0.00 0.00 55.97 57.66 2e7m s LYS 12 Cb -0.10 -1.90 0.15 0.00 -0.52 0.00 0.00 37.83 35.46 2e7m s LYS 12 CO 0.40 -1.63 0.43 -1.83 -0.92 0.00 0.00 175.35 171.81 2e7m s GLU 13 N -4.83 2.60 0.18 1.68 -1.05 -1.26 -2.51 118.70 113.51 2e7m s GLU 13 Ca 0.62 -2.28 -0.18 0.00 -0.15 0.00 0.00 54.97 52.98 2e7m s GLU 13 Cb -0.17 -3.84 -0.08 0.00 -0.44 0.00 0.00 34.13 29.60 2e7m s GLU 13 CO 0.55 -1.18 0.65 -0.51 0.95 0.00 0.00 175.26 175.72 2e7m s LEU 14 N 0.40 4.37 -0.67 1.83 1.43 -0.97 -4.92 118.68 120.15 2e7m s LEU 14 Ca 0.14 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.40 2e7m s LEU 14 Cb -0.20 -3.39 0.17 0.00 0.03 0.00 0.00 46.19 42.80 2e7m s LEU 14 CO -0.04 0.09 0.60 -0.89 0.23 0.00 0.00 176.35 176.34 2e7m s THR 15 N -1.44 5.14 -0.13 5.49 2.01 -1.05 -4.54 115.64 121.12 2e7m s THR 15 Ca 0.39 -2.12 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 2e7m s THR 15 Cb -0.17 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 2e7m s THR 15 CO 0.20 -0.93 0.81 -0.69 -0.69 0.00 0.00 174.62 173.32 2e7m s VAL 16 N 0.76 4.92 -0.02 3.82 1.01 -1.26 -2.97 120.40 126.65 2e7m s VAL 16 Ca 0.11 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.72 2e7m s VAL 16 Cb -0.19 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.08 2e7m s VAL 16 CO -0.04 0.08 0.03 -0.55 0.00 0.00 0.00 175.10 174.63 2e7m s SER 17 N 1.07 0.06 0.03 3.32 0.15 -0.30 -4.31 113.70 113.73 2e7m s SER 17 Ca 0.39 0.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2e7m s SER 17 Cb -0.17 -0.05 -0.30 0.00 -1.71 0.00 0.00 66.02 63.79 2e7m s SER 17 CO 0.15 -0.12 0.99 0.00 1.20 0.00 0.00 173.24 175.45 2e7m h ALA 18 N 7.22 0.11 0.00 5.45 0.00 -1.85 0.19 119.26 130.38 2e7m h ALA 18 Ca -0.44 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.49 2e7m h ALA 18 Cb 1.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2e7m h ALA 18 CO 0.48 0.98 0.00 0.41 0.00 0.00 0.00 179.25 181.12 2e7m n GLY 19 N 1.64 1.09 3.60 0.00 0.00 -1.26 -4.39 105.19 105.87 2e7m n GLY 19 Ca -0.14 -0.20 -0.03 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 -2.51 -0.12 0.21 1.61 2.15 -1.26 -5.14 116.67 111.61 2e7m s ASP 20 Ca 0.00 -0.05 -0.32 0.00 0.43 0.00 0.00 52.55 52.61 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 -0.27 1.36 -0.46 -0.17 0.00 0.00 175.17 175.63 2e7m n ASN 21 N -0.22 2.41 -4.51 -0.34 0.23 -1.26 -4.79 115.26 106.79 2e7m n ASN 21 Ca -0.02 1.14 -0.32 0.00 -0.53 0.00 0.00 54.58 54.84 2e7m n ASN 21 Cb 0.60 -1.37 -0.12 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 0.30 2.86 -0.17 -4.53 2.01 -0.59 -5.02 118.68 113.54 2e7m s LEU 22 Ca 0.71 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 54.64 2e7m s LEU 22 Cb -0.71 -1.62 0.05 0.00 0.01 0.00 0.00 46.19 43.92 2e7m s LEU 22 CO 0.49 0.32 -0.02 -0.63 1.01 0.00 0.00 176.35 177.53 2e7m s ILE 23 N -0.82 0.88 0.15 -0.59 1.01 -1.26 -1.10 121.20 119.47 2e7m s ILE 23 Ca 0.13 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.25 2e7m s ILE 23 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2e7m s ILE 23 CO 0.03 0.02 0.17 0.27 0.00 0.00 0.00 174.94 175.43 2e7m s ILE 24 N 1.72 4.74 -0.10 2.92 -4.36 -0.97 -4.96 121.20 120.19 2e7m s ILE 24 Ca 0.00 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.48 2e7m s ILE 24 Cb -0.16 -3.41 0.02 0.00 1.25 0.00 0.00 42.46 40.16 2e7m s ILE 24 CO -0.07 -0.07 -0.14 -0.89 0.24 0.00 0.00 174.94 174.01 2e7m s THR 25 N -1.71 1.35 0.82 8.37 2.01 -1.24 0.06 115.64 125.31 2e7m s THR 25 Ca 0.32 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 2e7m s THR 25 Cb -0.11 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2e7m s THR 25 CO 0.25 0.41 0.28 0.18 -0.69 0.00 0.00 174.62 175.05 2e7m n LEU 26 N 4.21 -0.65 0.18 4.42 4.77 -0.95 -2.17 117.00 126.81 2e7m n LEU 26 Ca -0.19 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 2e7m n LEU 26 Cb 0.51 -1.13 0.57 0.00 -2.33 0.00 0.00 43.42 41.03 2e7m n LEU 26 CO 0.23 -3.76 0.90 1.55 -1.33 0.00 0.00 177.39 174.99 2e7m h PRO 27 N -0.83 0.00 -5.34 3.23 0.13 -1.94 -3.39 132.00 123.86 2e7m h PRO 27 Ca -0.44 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 2e7m h PRO 27 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2e7m h PRO 27 CO 0.37 0.00 1.49 -0.25 -0.23 0.00 0.00 178.00 179.38 2e7m n ASP 28 N -2.52 1.33 -0.69 1.44 8.00 -0.92 -4.72 116.55 118.46 2e7m n ASP 28 Ca 0.01 -0.44 0.05 0.00 0.71 0.00 0.00 54.79 55.12 2e7m n ASP 28 Cb 0.25 -1.31 0.20 0.00 -0.02 0.00 0.00 41.12 40.24 2e7m n ASP 28 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e7m n ASN 29 N 13.85 2.64 -4.40 -2.24 0.23 -1.26 -3.68 115.26 120.40 2e7m n ASN 29 Ca 0.50 -3.43 -0.33 0.00 -0.53 0.00 0.00 54.58 50.79 2e7m n ASN 29 Cb 0.34 -0.54 -0.14 0.00 -2.08 0.00 0.00 39.78 37.37 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 -3.04 3.16 0.01 -3.83 2.02 -1.26 -3.04 118.70 112.71 2e7m s GLU 30 Ca 0.39 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.72 2e7m s GLU 30 Cb 0.35 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 2e7m s GLU 30 CO 0.02 0.32 -0.06 0.54 0.02 0.00 0.00 175.26 176.09 2e7m s VAL 31 N 0.07 0.49 -0.26 2.63 0.11 -1.21 -4.98 120.40 117.26 2e7m s VAL 31 Ca -0.05 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 2e7m s VAL 31 Cb -0.15 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2e7m s VAL 31 CO 0.04 0.02 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.02 2e7m s GLU 32 N -0.47 2.28 -0.05 1.54 2.12 -1.26 -1.80 118.70 121.05 2e7m s GLU 32 Ca -0.00 -1.32 -0.05 0.00 0.36 0.00 0.00 54.97 53.95 2e7m s GLU 32 Cb -0.04 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2e7m s GLU 32 CO -0.00 -0.56 0.18 -0.51 -0.54 0.00 0.00 175.26 173.83 2e7m s LEU 33 N 1.12 4.38 -0.05 2.70 1.43 -0.06 -4.93 118.68 123.27 2e7m s LEU 33 Ca -0.08 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2e7m s LEU 33 Cb -0.20 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2e7m s LEU 33 CO -0.05 0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 175.93 2e7m s LYS 34 N -1.53 1.91 -0.17 1.70 2.20 -1.26 -0.71 119.74 121.88 2e7m s LYS 34 Ca 0.22 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 2e7m s LYS 34 Cb -0.12 -1.60 -0.04 0.00 -1.51 0.00 0.00 37.83 34.55 2e7m s LYS 34 CO 0.12 0.19 0.39 0.00 -0.36 0.00 0.00 175.35 175.69 2e7m s ALA 35 N 0.22 3.55 -0.18 3.13 0.00 -0.73 -4.18 121.76 123.56 2e7m s ALA 35 Ca -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2e7m s ALA 35 Cb -0.13 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 2e7m s ALA 35 CO 0.03 -0.13 -0.05 -0.06 0.00 0.00 0.00 175.76 175.56 2e7m s PHE 36 N 0.94 2.96 -0.19 0.00 0.08 0.68 -4.95 117.98 117.50 2e7m s PHE 36 Ca 0.20 -0.62 -0.04 0.00 0.12 0.00 0.00 56.93 56.59 2e7m s PHE 36 Cb -0.14 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2e7m s PHE 36 CO 0.07 -0.30 -0.04 0.08 -0.10 0.00 0.00 175.22 174.94 2e7m s VAL 37 N 0.91 3.69 -0.12 -0.44 1.01 -1.26 -1.14 120.40 123.04 2e7m s VAL 37 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2e7m s VAL 37 Cb -0.15 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2e7m s VAL 37 CO 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 2e7m s ALA 38 N 0.88 1.77 0.69 5.51 0.00 -1.16 -1.34 121.76 128.11 2e7m s ALA 38 Ca -0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2e7m s ALA 38 Cb -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2e7m s ALA 38 CO 0.01 -0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.48 2e7m s PRO 39 N 1.11 2.67 0.36 0.00 0.04 -1.26 -2.52 135.00 135.40 2e7m s PRO 39 Ca -0.04 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.08 2e7m s PRO 39 Cb -0.14 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2e7m s PRO 39 CO -0.04 -1.34 1.01 0.00 0.04 0.00 0.00 177.00 176.67 2e7m s ALA 40 N -2.48 3.17 0.69 8.56 0.00 -0.45 -4.97 121.76 126.27 2e7m s ALA 40 Ca 0.65 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 2e7m s ALA 40 Cb -0.20 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2e7m s ALA 40 CO 0.45 -0.04 1.11 -1.25 0.00 0.00 0.00 175.76 176.02 2e7m s PRO 41 N -2.23 2.65 0.00 0.00 0.04 -1.26 -5.06 135.00 129.15 2e7m s PRO 41 Ca 0.53 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2e7m s PRO 41 Cb -0.21 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2e7m s PRO 41 CO 0.27 -1.36 0.00 -0.35 0.04 0.00 0.00 177.00 175.60 2e7m n PRO 42 N -2.71 0.02 0.04 0.56 -0.04 -1.24 -4.97 135.00 126.66 2e7m n PRO 42 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 2e7m n PRO 42 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.00 1.43 0.00 0.52 3.04 -2.05 -3.40 116.25 114.79 2e7m h VAL 43 Ca 0.00 -3.17 0.00 0.00 -1.01 0.00 0.00 66.70 62.52 2e7m h VAL 43 Cb 0.00 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2e7m h VAL 43 CO 0.00 0.83 -0.06 -0.33 -1.01 0.00 0.00 177.57 177.00 2e7m h GLU 44 N 0.01 0.00 -6.65 4.17 5.08 -2.05 -3.46 114.58 111.68 2e7m h GLU 44 Ca -0.11 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.73 2e7m h GLU 44 Cb 1.86 0.00 0.04 0.00 0.50 0.00 0.00 28.75 31.15 2e7m h GLU 44 CO 0.12 0.00 0.74 0.99 -1.00 0.00 0.00 179.01 179.86 2e7m s THR 45 N -1.21 2.97 0.02 1.13 2.01 -1.26 -5.02 115.64 114.28 2e7m s THR 45 Ca -0.02 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.75 2e7m s THR 45 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2e7m s THR 45 CO 0.03 0.09 -0.05 0.42 -0.69 0.00 0.00 174.62 174.41 2e7m s THR 46 N 0.52 0.38 0.63 -0.82 -4.23 -1.26 -3.58 115.64 107.28 2e7m s THR 46 Ca 0.62 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2e7m s THR 46 Cb -0.39 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.10 2e7m s THR 46 CO 0.36 -0.15 0.90 -0.31 -0.54 0.00 0.00 174.62 174.89 2e7m s TYR 47 N -0.72 2.83 -0.20 3.99 2.02 -1.26 -5.07 117.35 118.94 2e7m s TYR 47 Ca -0.05 0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 2e7m s TYR 47 Cb -0.06 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2e7m s TYR 47 CO -0.00 -1.18 0.06 -0.80 -1.57 0.00 0.00 175.55 172.06 2e7m s ASN 48 N -4.48 5.43 -0.39 2.29 0.01 -1.26 -5.04 114.94 111.49 2e7m s ASN 48 Ca 0.59 -0.02 -0.13 0.00 -0.71 0.00 0.00 52.86 52.58 2e7m s ASN 48 Cb -0.10 -1.94 0.02 0.00 0.41 0.00 0.00 41.25 39.64 2e7m s ASN 48 CO 0.42 0.11 0.26 -0.31 -1.51 0.00 0.00 177.10 176.07 2e7m s TYR 49 N 0.77 3.24 -0.31 2.20 2.02 -1.26 -3.95 117.35 120.05 2e7m s TYR 49 Ca 0.03 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 2e7m s TYR 49 Cb -0.14 -2.53 0.08 0.00 -0.40 0.00 0.00 41.96 38.98 2e7m s TYR 49 CO 0.02 -0.60 0.00 -2.00 -1.57 0.00 0.00 175.55 171.40 2e7m s GLU 50 N 1.63 1.94 0.42 -0.62 2.12 -1.11 -4.29 118.70 118.79 2e7m s GLU 50 Ca 0.04 -1.60 -0.06 0.00 0.36 0.00 0.00 54.97 53.71 2e7m s GLU 50 Cb -0.19 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2e7m s GLU 50 CO 0.09 -0.78 0.72 -1.58 -0.54 0.00 0.00 175.26 173.17 2e7m s TRP 51 N 1.05 3.52 -0.27 5.30 0.52 0.90 -0.78 118.94 129.17 2e7m s TRP 51 Ca 0.01 0.79 -0.24 0.00 0.02 0.00 0.00 56.10 56.68 2e7m s TRP 51 Cb -0.20 -2.26 0.08 0.00 -1.15 0.00 0.00 33.47 29.94 2e7m s TRP 51 CO -0.06 -0.12 0.76 -0.80 0.02 0.00 0.00 176.95 176.75 2e7m s ASN 52 N -3.73 -0.73 -0.87 2.95 0.01 -0.97 -4.07 114.94 107.53 2e7m s ASN 52 Ca 0.47 1.38 -0.19 0.00 -0.71 0.00 0.00 52.86 53.81 2e7m s ASN 52 Cb -0.10 1.39 0.13 0.00 0.41 0.00 0.00 41.25 43.07 2e7m s ASN 52 CO 0.38 -0.24 1.06 -0.22 -1.51 0.00 0.00 177.10 176.58 2e7m s LEU 53 N 0.48 5.08 0.24 0.60 2.96 -1.26 -1.71 118.68 125.06 2e7m s LEU 53 Ca -0.01 -1.90 0.17 0.00 -0.22 0.00 0.00 54.13 52.18 2e7m s LEU 53 Cb -0.05 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.30 2e7m s LEU 53 CO -0.02 -1.09 1.27 0.16 -1.32 0.00 0.00 176.35 175.34 2e7m h ILE 54 N 5.80 0.57 -4.08 6.68 -2.65 -1.92 -3.45 117.51 118.47 2e7m h ILE 54 Ca 0.06 -1.88 -0.66 0.00 1.03 0.00 0.00 64.86 63.41 2e7m h ILE 54 Cb 1.04 2.18 -0.31 0.00 -2.05 0.00 0.00 36.82 37.67 2e7m h ILE 54 CO 1.10 0.33 -0.88 -0.55 0.03 0.00 0.00 178.15 178.18 2e7m s SER 55 N -6.14 2.87 -0.27 2.16 0.15 -1.21 -4.99 113.70 106.27 2e7m s SER 55 Ca 0.02 -0.47 -0.27 0.00 0.70 0.00 0.00 55.95 55.93 2e7m s SER 55 Cb 0.08 -0.72 0.17 0.00 -1.71 0.00 0.00 66.02 63.84 2e7m s SER 55 CO 0.76 0.24 1.26 -1.38 1.20 0.00 0.00 173.24 175.32 2e7m s HIS 56 N -0.19 -0.19 1.08 3.44 -3.43 -1.25 -2.46 115.29 112.29 2e7m s HIS 56 Ca -0.02 0.41 -0.15 0.00 -0.80 0.00 0.00 55.06 54.50 2e7m s HIS 56 Cb -0.13 0.46 0.23 0.00 -1.43 0.00 0.00 32.58 31.71 2e7m s HIS 56 CO 0.03 -0.12 1.10 -1.25 -2.00 0.00 0.00 174.74 172.49 2e7m s PRO 57 N -0.41 -0.19 0.23 -0.38 0.04 -1.24 -4.96 135.00 128.09 2e7m s PRO 57 Ca 0.05 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.46 2e7m s PRO 57 Cb -0.03 -1.68 0.24 0.00 0.04 0.00 0.00 34.50 33.06 2e7m s PRO 57 CO -0.09 -3.10 1.54 0.00 0.04 0.00 0.00 177.00 175.39 2e7m h THR 58 N -2.15 1.42 -0.24 1.26 1.03 -1.99 -3.06 112.91 109.18 2e7m h THR 58 Ca -0.52 -2.13 -0.02 0.00 -0.01 0.00 0.00 66.41 63.74 2e7m h THR 58 Cb 1.32 2.12 -0.01 0.00 -1.07 0.00 0.00 68.15 70.51 2e7m h THR 58 CO 0.50 0.62 0.08 -2.24 -0.01 0.00 0.00 175.52 174.48 2e7m h ASP 59 N 0.12 0.30 -2.98 0.00 3.04 -1.95 -3.41 116.42 111.54 2e7m h ASP 59 Ca -0.01 -0.03 -0.63 0.00 -3.24 0.00 0.00 57.03 53.12 2e7m h ASP 59 Cb 1.17 -0.08 -0.09 0.00 -1.04 0.00 0.00 39.33 39.29 2e7m h ASP 59 CO 0.10 0.29 -0.43 -0.47 -2.04 0.00 0.00 179.24 176.69 2e7m s TYR 60 N -5.15 3.53 -0.11 4.15 5.04 -1.16 -5.01 117.35 118.63 2e7m s TYR 60 Ca -0.07 0.52 -0.23 0.00 -2.44 0.00 0.00 57.07 54.86 2e7m s TYR 60 Cb 0.17 -2.11 -0.20 0.00 0.35 0.00 0.00 41.96 40.17 2e7m s TYR 60 CO 0.72 0.51 0.68 1.96 -1.34 0.00 0.00 175.55 178.07 2e7m h GLN 61 N 5.76 -0.02 0.00 4.97 4.20 -1.82 -3.42 115.11 124.78 2e7m h GLN 61 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2e7m h GLN 61 Cb 1.19 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2e7m h GLN 61 CO 0.67 0.70 0.00 0.41 -0.67 0.00 0.00 178.83 179.94 2e7m n GLY 62 N 1.44 1.07 2.91 3.46 0.00 -1.26 -5.08 105.19 107.73 2e7m n GLY 62 Ca -0.08 -0.62 -0.30 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 -0.11 1.39 0.10 1.61 2.02 -1.26 -5.09 118.70 117.36 2e7m s GLU 63 Ca 0.00 -1.22 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 2e7m s GLU 63 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 2e7m s GLU 63 CO 0.00 -0.77 0.08 0.42 0.02 0.00 0.00 175.26 175.02 2e7m s ILE 64 N 1.32 0.15 -0.45 -1.63 1.01 -1.26 -5.03 121.20 115.30 2e7m s ILE 64 Ca 0.02 -1.66 0.04 0.00 0.00 0.00 0.00 60.65 59.04 2e7m s ILE 64 Cb -0.19 -1.70 0.61 0.00 0.01 0.00 0.00 42.46 41.19 2e7m s ILE 64 CO -0.11 -0.66 1.85 0.29 0.00 0.00 0.00 174.94 176.31 2e7m n LYS 65 N -0.03 2.27 -2.40 2.79 5.02 -1.26 -4.89 118.16 119.65 2e7m n LYS 65 Ca -0.10 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.08 2e7m n LYS 65 Cb 0.62 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.11 -2.88 -2.22 1.97 6.02 -1.26 -3.00 117.38 114.91 2e7m n GLN 66 Ca 0.56 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 2e7m n GLN 66 Cb 1.42 -4.42 0.01 0.00 1.02 0.00 0.00 30.24 28.28 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 -0.47 0.05 0.00 1.08 0.00 -1.26 -0.07 105.19 104.51 2e7m n GLY 67 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 0.54 0.00 -4.01 1.61 8.25 -1.16 -4.06 115.22 116.39 2e7m n HIS 68 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2e7m n HIS 68 Cb 0.33 -0.36 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.36 0.97 0.22 -0.41 4.76 -1.26 -4.66 118.16 116.42 2e7m n LYS 69 Ca 0.03 -2.54 0.15 0.00 -2.87 0.00 0.00 58.31 53.08 2e7m n LYS 69 Cb 0.07 0.40 0.54 0.00 -1.84 0.00 0.00 35.03 34.21 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2e7m h GLN 70 N 0.00 0.00 -6.25 1.97 4.15 -1.88 -3.43 115.11 109.66 2e7m h GLN 70 Ca -0.27 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.50 2e7m h GLN 70 Cb 0.92 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.31 2e7m h GLN 70 CO 0.43 0.00 -0.87 0.95 -1.93 0.00 0.00 178.83 177.41 2e7m s THR 71 N -3.47 1.83 -0.14 2.39 -4.23 -1.26 -1.77 115.64 108.99 2e7m s THR 71 Ca 0.03 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2e7m s THR 71 Cb 0.09 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2e7m s THR 71 CO 0.53 0.52 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.72 2e7m s LEU 72 N -0.50 2.34 -0.12 4.79 2.96 0.11 -4.80 118.68 123.46 2e7m s LEU 72 Ca 0.08 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2e7m s LEU 72 Cb -0.09 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2e7m s LEU 72 CO -0.01 0.10 -0.18 0.20 -1.32 0.00 0.00 176.35 175.15 2e7m s ASN 73 N 0.73 3.60 0.27 3.68 0.02 -1.26 -0.88 114.94 121.10 2e7m s ASN 73 Ca -0.08 -0.44 0.09 0.00 -1.02 0.00 0.00 52.86 51.41 2e7m s ASN 73 Cb -0.16 -1.52 -0.04 0.00 0.02 0.00 0.00 41.25 39.55 2e7m s ASN 73 CO 0.01 0.15 0.05 -0.76 0.02 0.00 0.00 177.10 176.57 2e7m s LEU 74 N 0.41 3.30 0.16 0.60 1.02 -0.75 -4.98 118.68 118.44 2e7m s LEU 74 Ca -0.13 -0.60 -0.09 0.00 0.02 0.00 0.00 54.13 53.33 2e7m s LEU 74 Cb -0.17 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 2e7m s LEU 74 CO 0.06 -0.04 0.28 -0.94 0.02 0.00 0.00 176.35 175.73 2e7m s SER 75 N -3.72 0.04 -1.45 2.29 1.04 -1.26 -3.29 113.70 107.35 2e7m s SER 75 Ca 0.32 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 2e7m s SER 75 Cb -0.06 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.57 2e7m s SER 75 CO 0.21 -0.88 0.70 0.00 0.98 0.00 0.00 173.24 174.26 2e7m n GLN 76 N -0.20 -4.17 -2.53 4.02 6.02 -1.25 -4.93 117.38 114.34 2e7m n GLN 76 Ca -0.08 0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 57.12 2e7m n GLN 76 Cb 0.63 -5.32 -0.04 0.00 1.02 0.00 0.00 30.24 26.52 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 -6.88 3.74 0.00 1.08 1.43 -1.17 -5.08 118.68 111.81 2e7m s LEU 77 Ca 0.53 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 55.32 2e7m s LEU 77 Cb -0.27 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.45 2e7m s LEU 77 CO 0.65 -0.57 0.22 -1.20 0.23 0.00 0.00 176.35 175.68 2e7m n SER 78 N -1.24 2.23 -4.69 2.29 7.64 -1.26 -4.78 113.62 113.81 2e7m n SER 78 Ca 0.07 -2.23 -0.42 0.00 1.01 0.00 0.00 58.87 57.30 2e7m n SER 78 Cb 0.54 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.79 4.82 0.00 0.44 1.01 -1.26 -4.54 120.40 119.08 2e7m s VAL 79 Ca 0.17 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.12 2e7m s VAL 79 Cb -0.01 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2e7m s VAL 79 CO 0.11 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2e7m n GLY 80 N 3.09 -0.08 3.63 4.51 0.00 -1.18 -4.95 105.19 110.21 2e7m n GLY 80 Ca 0.07 -1.25 -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 4.08 -0.02 0.99 2.96 -1.26 -2.24 118.68 123.20 2e7m s LEU 81 Ca 0.00 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2e7m s LEU 81 Cb 0.00 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2e7m s LEU 81 CO 0.00 -0.02 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.55 2e7m s TYR 82 N 1.45 1.33 -0.15 5.38 1.51 -0.67 -3.73 117.35 122.47 2e7m s TYR 82 Ca 0.10 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2e7m s TYR 82 Cb -0.15 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 2e7m s TYR 82 CO 0.08 -0.04 -0.15 0.08 -1.11 0.00 0.00 175.55 174.40 2e7m s VAL 83 N -0.26 1.66 -0.30 0.71 1.01 -1.03 -0.48 120.40 121.71 2e7m s VAL 83 Ca 0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2e7m s VAL 83 Cb -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2e7m s VAL 83 CO -0.00 0.47 0.14 -0.36 0.00 0.00 0.00 175.10 175.35 2e7m s PHE 84 N 1.44 3.17 -0.33 5.22 0.08 -0.39 -2.90 117.98 124.27 2e7m s PHE 84 Ca 0.05 -0.58 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 2e7m s PHE 84 Cb -0.13 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 39.98 2e7m s PHE 84 CO -0.11 -0.45 0.19 0.21 -0.10 0.00 0.00 175.22 174.96 2e7m s LYS 85 N 1.61 3.38 -0.40 0.44 2.20 -0.70 -2.06 119.74 124.21 2e7m s LYS 85 Ca 0.05 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 54.78 2e7m s LYS 85 Cb -0.17 -3.68 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2e7m s LYS 85 CO 0.06 -0.44 0.44 0.54 -0.36 0.00 0.00 175.35 175.58 2e7m s VAL 86 N 1.66 5.08 -0.42 4.02 0.11 -0.76 -2.30 120.40 127.78 2e7m s VAL 86 Ca 0.05 -0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 58.71 2e7m s VAL 86 Cb -0.17 -4.01 0.02 0.00 -1.53 0.00 0.00 36.38 30.69 2e7m s VAL 86 CO 0.08 -0.37 0.42 -0.89 -3.33 0.00 0.00 175.10 171.01 2e7m s THR 87 N 2.16 5.11 -0.17 5.04 2.01 0.04 0.26 115.64 130.09 2e7m s THR 87 Ca 0.13 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2e7m s THR 87 Cb -0.17 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2e7m s THR 87 CO 0.14 -0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.77 2e7m s VAL 88 N 2.07 2.00 0.12 3.82 1.01 0.20 -2.73 120.40 126.89 2e7m s VAL 88 Ca 0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2e7m s VAL 88 Cb -0.17 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2e7m s VAL 88 CO 0.13 0.53 0.08 -0.94 0.00 0.00 0.00 175.10 174.90 2e7m s SER 89 N 1.19 0.29 0.34 3.32 1.04 -1.25 0.20 113.70 118.83 2e7m s SER 89 Ca 0.02 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.39 2e7m s SER 89 Cb -0.14 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 2e7m s SER 89 CO -0.10 -0.73 0.11 -0.24 0.98 0.00 0.00 173.24 173.27 2e7m n SER 90 N -0.07 1.34 -0.24 7.02 2.88 0.58 -4.06 113.62 121.07 2e7m n SER 90 Ca -0.08 -2.79 0.06 0.00 -1.33 0.00 0.00 58.87 54.73 2e7m n SER 90 Cb 0.63 0.81 0.32 0.00 -0.75 0.00 0.00 64.21 65.21 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 0.81 -0.27 -1.46 4.11 -2.02 -2.88 114.58 112.87 2e7m h GLU 91 Ca -0.27 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 58.89 2e7m h GLU 91 Cb 1.00 -0.18 -0.28 0.00 0.50 0.00 0.00 28.75 29.79 2e7m h GLU 91 CO 0.43 0.54 -0.83 0.09 0.07 0.00 0.00 179.01 179.31 2e7m n ASN 92 N -4.49 2.31 -3.81 3.06 3.02 -1.26 -5.02 115.26 109.06 2e7m n ASN 92 Ca 0.13 -3.04 -0.09 0.00 -0.03 0.00 0.00 54.58 51.55 2e7m n ASN 92 Cb 0.25 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -2.65 -0.97 -0.24 5.41 0.00 -1.09 -0.37 121.76 121.84 2e7m s ALA 93 Ca 0.38 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 2e7m s ALA 93 Cb 0.38 0.90 0.07 0.00 0.00 0.00 0.00 23.12 24.47 2e7m s ALA 93 CO -0.06 -0.91 0.74 0.12 0.00 0.00 0.00 175.76 175.65 2e7m s PHE 94 N -3.91 -0.75 -0.01 0.00 5.36 -1.04 -0.31 117.98 117.31 2e7m s PHE 94 Ca 0.12 1.78 -0.26 0.00 -0.96 0.00 0.00 56.93 57.61 2e7m s PHE 94 Cb -0.03 0.29 0.06 0.00 -0.34 0.00 0.00 43.02 43.00 2e7m s PHE 94 CO 0.03 -0.40 0.58 0.20 -1.46 0.00 0.00 175.22 174.17 2e7m s GLY 95 N 0.18 -0.48 -0.01 13.12 0.00 0.53 -2.28 107.32 118.37 2e7m s GLY 95 Ca -0.01 0.95 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 2e7m s GLY 95 CO 0.02 0.63 0.10 -0.54 0.00 0.00 0.00 173.10 173.30 2e7m s GLU 96 N -1.63 0.30 0.23 2.90 2.02 -1.26 0.62 118.70 121.87 2e7m s GLU 96 Ca -0.09 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 54.77 2e7m s GLU 96 Cb -0.01 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 2e7m s GLU 96 CO 0.05 -0.06 -0.10 0.20 0.02 0.00 0.00 175.26 175.38 2e7m s GLY 97 N -0.76 1.53 -0.11 -1.39 0.00 0.14 -4.12 107.32 102.61 2e7m s GLY 97 Ca -0.08 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 2e7m s GLY 97 CO 0.00 -1.76 0.24 -1.36 0.00 0.00 0.00 173.10 170.23 2e7m s PHE 98 N -3.08 -0.35 -0.05 1.90 0.40 -1.26 -1.84 117.98 113.70 2e7m s PHE 98 Ca 0.25 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.45 2e7m s PHE 98 Cb 0.02 -0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.51 2e7m s PHE 98 CO 0.08 -0.31 -0.08 0.54 0.70 0.00 0.00 175.22 176.15 2e7m s VAL 99 N 2.09 0.81 -0.14 -0.44 0.11 -0.87 -4.74 120.40 117.21 2e7m s VAL 99 Ca -0.01 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 2e7m s VAL 99 Cb -0.12 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2e7m s VAL 99 CO -0.08 0.27 0.11 0.20 -3.33 0.00 0.00 175.10 172.28 2e7m s ASN 100 N 0.64 6.14 -0.08 3.54 -0.87 -1.26 -1.26 114.94 121.79 2e7m s ASN 100 Ca -0.11 0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.52 2e7m s ASN 100 Cb -0.14 -2.00 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 2e7m s ASN 100 CO 0.02 0.32 -0.06 -0.69 -2.57 0.00 0.00 177.10 174.12 2e7m s VAL 101 N -0.52 0.77 -0.21 1.60 1.01 0.37 -1.54 120.40 121.89 2e7m s VAL 101 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2e7m s VAL 101 Cb -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2e7m s VAL 101 CO 0.02 0.30 -0.03 -0.89 0.00 0.00 0.00 175.10 174.50 2e7m s THR 102 N 1.35 3.57 -0.45 3.92 2.01 -0.26 -1.66 115.64 124.12 2e7m s THR 102 Ca -0.03 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 2e7m s THR 102 Cb -0.14 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.79 2e7m s THR 102 CO -0.03 0.43 0.59 -0.69 -0.69 0.00 0.00 174.62 174.23 2e7m s VAL 103 N 1.23 4.89 0.36 3.82 1.01 -0.95 -2.28 120.40 128.48 2e7m s VAL 103 Ca 0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2e7m s VAL 103 Cb -0.14 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2e7m s VAL 103 CO -0.01 -0.62 0.73 -0.54 0.00 0.00 0.00 175.10 174.66 2e7m s LYS 104 N 2.62 3.84 0.78 2.72 -0.14 0.11 -3.10 119.74 126.58 2e7m s LYS 104 Ca 0.18 0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 2e7m s LYS 104 Cb -0.16 -2.44 0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2e7m s LYS 104 CO 0.16 0.07 1.09 -1.25 -0.76 0.00 0.00 175.35 174.66 2e7m s PRO 105 N -3.48 2.16 -0.37 -1.68 0.04 -1.26 -2.23 135.00 128.17 2e7m s PRO 105 Ca 0.51 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2e7m s PRO 105 Cb -0.10 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2e7m s PRO 105 CO 0.26 -1.70 2.07 0.00 0.04 0.00 0.00 177.00 177.67 2e7m s ALA 106 N -2.91 2.46 0.07 8.56 0.00 -1.26 -4.18 121.76 124.51 2e7m s ALA 106 Ca 0.61 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2e7m s ALA 106 Cb -0.17 -4.14 -0.19 0.00 0.00 0.00 0.00 23.12 18.61 2e7m s ALA 106 CO 0.56 -3.25 1.23 0.07 0.00 0.00 0.00 175.76 174.37 2e7m h ARG 107 N 15.29 0.67 -2.66 0.00 0.11 -1.91 -3.40 114.38 122.48 2e7m h ARG 107 Ca -0.33 -0.61 -0.60 0.00 0.10 0.00 0.00 59.98 58.54 2e7m h ARG 107 Cb 1.21 0.15 -0.39 0.00 1.11 0.00 0.00 29.97 32.05 2e7m h ARG 107 CO 1.06 1.22 -0.83 0.45 0.10 0.00 0.00 179.97 181.97 2e7m s SER 108 N -7.03 2.75 0.00 0.08 0.15 -1.26 -5.03 113.70 103.36 2e7m s SER 108 Ca -0.11 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.59 2e7m s SER 108 Cb 0.07 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2e7m s SER 108 CO 0.88 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.73 2e7m n GLY 109 N 3.06 0.58 3.68 9.45 0.00 -1.26 -4.94 105.19 115.76 2e7m n GLY 109 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 0.11 4.24 -0.29 1.61 0.04 -1.26 -4.99 135.00 134.46 2e7m s PRO 110 Ca 0.00 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2e7m s PRO 110 Cb 0.00 -3.70 0.17 0.00 0.04 0.00 0.00 34.50 31.00 2e7m s PRO 110 CO 0.00 -0.68 0.60 -1.12 0.04 0.00 0.00 177.00 175.84 2e7m s SER 111 N 2.31 -1.20 0.02 6.66 0.01 -1.26 -5.13 113.70 115.12 2e7m s SER 111 Ca 0.66 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 2e7m s SER 111 Cb -0.31 2.14 -0.08 0.00 0.21 0.00 0.00 66.02 67.97 2e7m s SER 111 CO 0.26 -0.25 1.84 -0.44 0.41 0.00 0.00 173.24 175.07 2e7m s SER 112 N 2.85 6.52 0.00 2.44 0.01 -1.26 -5.28 113.70 118.98 2e7m s SER 112 Ca 0.12 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.92 2e7m s SER 112 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2e7m s SER 112 CO -0.20 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.06