#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 0.83 -0.54 1.61 0.15 -1.26 -5.11 113.70 109.38 2e7m s SER 2 Ca 0.00 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 2e7m s SER 2 Cb 0.00 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.40 2e7m s SER 2 CO 0.00 0.00 0.34 -0.55 1.20 0.00 0.00 173.24 174.24 2e7m s SER 3 N -0.59 5.15 -0.56 5.45 0.15 -1.26 -4.99 113.70 117.05 2e7m s SER 3 Ca -0.01 -2.61 0.05 0.00 0.70 0.00 0.00 55.95 54.08 2e7m s SER 3 Cb -0.05 -1.82 0.19 0.00 -1.71 0.00 0.00 66.02 62.64 2e7m s SER 3 CO 0.00 -0.41 0.50 0.61 1.20 0.00 0.00 173.24 175.14 2e7m n GLY 4 N 3.79 3.42 3.81 9.45 0.00 -1.26 -5.11 105.19 119.29 2e7m n GLY 4 Ca 0.05 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.14 5.95 0.16 1.61 0.15 -1.26 -5.07 113.70 114.10 2e7m s SER 5 Ca 0.31 1.80 -0.19 0.00 0.70 0.00 0.00 55.95 58.58 2e7m s SER 5 Cb 0.05 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2e7m s SER 5 CO -0.14 -1.05 0.50 -0.55 1.20 0.00 0.00 173.24 173.20 2e7m s SER 6 N -2.71 -0.35 0.00 5.45 0.15 -1.26 -5.04 113.70 109.94 2e7m s SER 6 Ca 0.64 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2e7m s SER 6 Cb -0.15 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2e7m s SER 6 CO 0.34 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2e7m n GLY 7 N -0.31 1.94 0.00 9.45 0.00 -1.26 -4.91 105.19 110.10 2e7m n GLY 7 Ca -0.15 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 0.49 -4.88 1.61 -0.04 -1.26 -4.66 135.00 126.27 2e7m n PRO 8 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2e7m n PRO 8 Cb 0.00 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 2e7m n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2e7m s ARG 9 N -2.00 2.73 0.04 0.54 0.52 -1.26 -5.13 118.95 114.40 2e7m s ARG 9 Ca 0.17 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2e7m s ARG 9 Cb 0.08 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2e7m s ARG 9 CO 0.13 0.51 -0.05 0.95 0.02 0.00 0.00 175.30 176.86 2e7m s THR 10 N -0.43 0.38 0.35 0.02 -4.23 -1.26 -5.09 115.64 105.38 2e7m s THR 10 Ca 0.05 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.44 2e7m s THR 10 Cb -0.12 -0.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.95 2e7m s THR 10 CO 0.02 -0.55 0.04 0.68 -0.54 0.00 0.00 174.62 174.27 2e7m s VAL 11 N -1.95 2.55 -0.04 2.29 -7.23 -1.26 -4.90 120.40 109.86 2e7m s VAL 11 Ca -0.08 -1.93 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 2e7m s VAL 11 Cb -0.06 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2e7m s VAL 11 CO -0.02 -0.16 0.75 -0.54 -0.31 0.00 0.00 175.10 174.82 2e7m s LYS 12 N -3.75 4.46 -0.38 4.82 1.02 0.71 -4.86 119.74 121.77 2e7m s LYS 12 Ca 0.36 0.98 -0.29 0.00 0.02 0.00 0.00 55.97 57.04 2e7m s LYS 12 Cb 0.01 -3.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2e7m s LYS 12 CO 0.20 0.08 1.19 -1.83 -0.92 0.00 0.00 175.35 174.07 2e7m s GLU 13 N 0.71 3.86 -0.02 1.68 -1.05 -1.26 -1.48 118.70 121.14 2e7m s GLU 13 Ca 0.40 0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 56.14 2e7m s GLU 13 Cb -0.19 -3.86 -0.04 0.00 -0.44 0.00 0.00 34.13 29.60 2e7m s GLU 13 CO 0.20 -1.19 0.13 -0.51 0.95 0.00 0.00 175.26 174.85 2e7m s LEU 14 N 4.30 4.15 -0.57 1.83 1.43 -0.82 -4.95 118.68 124.05 2e7m s LEU 14 Ca 0.51 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 2e7m s LEU 14 Cb -0.12 -2.40 0.12 0.00 0.03 0.00 0.00 46.19 43.82 2e7m s LEU 14 CO 0.25 0.28 0.61 -0.89 0.23 0.00 0.00 176.35 176.83 2e7m s THR 15 N -1.23 4.99 -0.01 5.49 2.01 -1.11 -4.55 115.64 121.24 2e7m s THR 15 Ca 0.24 -1.22 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 2e7m s THR 15 Cb -0.12 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 2e7m s THR 15 CO 0.15 -1.01 0.40 -0.69 -0.69 0.00 0.00 174.62 172.78 2e7m s VAL 16 N 2.20 5.05 -0.12 3.82 1.01 -1.26 -2.31 120.40 128.80 2e7m s VAL 16 Ca 0.08 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 2e7m s VAL 16 Cb -0.27 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2e7m s VAL 16 CO 0.05 0.57 0.26 -0.55 0.00 0.00 0.00 175.10 175.43 2e7m s SER 17 N -1.03 -0.12 0.01 3.32 0.15 0.28 -4.52 113.70 111.80 2e7m s SER 17 Ca 0.23 0.57 -0.12 0.00 0.70 0.00 0.00 55.95 57.33 2e7m s SER 17 Cb -0.16 0.51 -0.33 0.00 -1.71 0.00 0.00 66.02 64.32 2e7m s SER 17 CO 0.13 -0.19 0.91 0.00 1.20 0.00 0.00 173.24 175.29 2e7m h ALA 18 N 7.48 -0.01 0.00 5.45 0.00 -1.84 0.80 119.26 131.14 2e7m h ALA 18 Ca -0.34 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2e7m h ALA 18 Cb 1.15 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2e7m h ALA 18 CO 0.31 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.83 2e7m n GLY 19 N 1.73 0.45 3.63 0.00 0.00 -1.26 -4.12 105.19 105.62 2e7m n GLY 19 Ca -0.18 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.00 -0.06 0.20 1.61 2.15 -1.26 -5.13 116.67 110.18 2e7m s ASP 20 Ca 0.00 -0.15 -0.32 0.00 0.43 0.00 0.00 52.55 52.51 2e7m s ASP 20 Cb 0.00 0.17 -0.12 0.00 -0.30 0.00 0.00 42.92 42.67 2e7m s ASP 20 CO 0.00 -0.32 1.73 -0.46 -0.17 0.00 0.00 175.17 175.94 2e7m n ASN 21 N -0.50 3.98 -4.52 -0.34 6.94 -1.26 -4.74 115.26 114.82 2e7m n ASN 21 Ca -0.08 1.06 -0.33 0.00 -0.02 0.00 0.00 54.58 55.20 2e7m n ASN 21 Cb 0.63 -1.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.36 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 1.25 3.01 -0.07 -4.53 2.01 -0.77 -5.03 118.68 114.54 2e7m s LEU 22 Ca 0.76 -0.12 0.02 0.00 0.01 0.00 0.00 54.13 54.79 2e7m s LEU 22 Cb -0.51 -1.66 0.01 0.00 0.01 0.00 0.00 46.19 44.05 2e7m s LEU 22 CO 0.33 0.31 -0.11 -0.63 1.01 0.00 0.00 176.35 177.25 2e7m s ILE 23 N -0.48 1.09 0.29 -0.59 1.01 -1.26 -1.20 121.20 120.06 2e7m s ILE 23 Ca 0.07 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.38 2e7m s ILE 23 Cb -0.12 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.29 2e7m s ILE 23 CO 0.02 0.35 -0.15 0.27 0.00 0.00 0.00 174.94 175.43 2e7m s ILE 24 N 0.79 2.26 -0.07 2.92 -4.36 -0.46 -4.99 121.20 117.29 2e7m s ILE 24 Ca -0.12 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 57.98 2e7m s ILE 24 Cb -0.15 -2.41 0.02 0.00 1.25 0.00 0.00 42.46 41.17 2e7m s ILE 24 CO 0.02 -0.34 -0.09 -0.89 0.24 0.00 0.00 174.94 173.88 2e7m s THR 25 N -2.63 0.94 0.78 8.37 2.01 -1.25 0.10 115.64 123.96 2e7m s THR 25 Ca 0.30 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 2e7m s THR 25 Cb -0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2e7m s THR 25 CO 0.14 0.32 0.31 0.18 -0.69 0.00 0.00 174.62 174.89 2e7m n LEU 26 N 4.16 -0.46 0.24 4.42 4.77 -0.56 -2.46 117.00 127.11 2e7m n LEU 26 Ca -0.21 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 2e7m n LEU 26 Cb 0.51 -1.14 0.54 0.00 -2.33 0.00 0.00 43.42 41.01 2e7m n LEU 26 CO 0.22 -3.66 0.86 1.55 -1.33 0.00 0.00 177.39 175.03 2e7m h PRO 27 N -0.66 0.00 -5.59 3.23 0.13 -1.95 -3.40 132.00 123.77 2e7m h PRO 27 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 2e7m h PRO 27 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 2e7m h PRO 27 CO 0.39 0.19 1.52 -0.25 -0.23 0.00 0.00 178.00 179.62 2e7m n ASP 28 N -3.43 0.84 -1.27 1.44 8.00 -1.03 -4.76 116.55 116.34 2e7m n ASP 28 Ca -0.00 0.38 -0.02 0.00 0.71 0.00 0.00 54.79 55.85 2e7m n ASP 28 Cb 0.37 -1.00 0.12 0.00 -0.02 0.00 0.00 41.12 40.60 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 9.47 2.40 -4.15 -2.24 0.23 -1.26 -3.92 115.26 115.78 2e7m n ASN 29 Ca 0.56 -3.43 -0.26 0.00 -0.53 0.00 0.00 54.58 50.93 2e7m n ASN 29 Cb 0.06 -0.44 -0.16 0.00 -2.08 0.00 0.00 39.78 37.16 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 -2.87 1.63 -0.07 -3.83 2.02 -1.26 -3.15 118.70 111.17 2e7m s GLU 30 Ca 0.40 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.72 2e7m s GLU 30 Cb 0.38 -1.48 0.02 0.00 0.10 0.00 0.00 34.13 33.16 2e7m s GLU 30 CO -0.06 0.30 0.18 0.54 0.02 0.00 0.00 175.26 176.25 2e7m s VAL 31 N -0.15 -0.01 -0.34 2.63 0.11 -1.21 -4.95 120.40 116.48 2e7m s VAL 31 Ca 0.01 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2e7m s VAL 31 Cb -0.09 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2e7m s VAL 31 CO 0.01 0.02 0.11 -0.70 -3.33 0.00 0.00 175.10 171.20 2e7m s GLU 32 N 0.37 2.70 0.19 1.54 2.12 -1.26 -1.69 118.70 122.67 2e7m s GLU 32 Ca -0.02 -1.13 -0.06 0.00 0.36 0.00 0.00 54.97 54.12 2e7m s GLU 32 Cb -0.04 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 2e7m s GLU 32 CO -0.02 -0.64 0.45 -0.51 -0.54 0.00 0.00 175.26 174.00 2e7m s LEU 33 N 1.43 4.21 -0.02 2.70 1.43 0.47 -4.92 118.68 123.96 2e7m s LEU 33 Ca -0.01 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 2e7m s LEU 33 Cb -0.19 -3.42 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 2e7m s LEU 33 CO 0.03 -0.03 -0.12 -0.75 0.23 0.00 0.00 176.35 175.72 2e7m s LYS 34 N -2.90 1.13 -0.01 1.70 2.20 -1.26 -1.58 119.74 119.02 2e7m s LYS 34 Ca 0.43 -0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2e7m s LYS 34 Cb -0.12 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2e7m s LYS 34 CO 0.25 0.18 0.22 0.00 -0.36 0.00 0.00 175.35 175.64 2e7m s ALA 35 N 0.02 3.90 -0.12 3.13 0.00 -0.99 -4.19 121.76 123.52 2e7m s ALA 35 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2e7m s ALA 35 Cb -0.08 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.11 2e7m s ALA 35 CO 0.00 0.69 0.04 -0.06 0.00 0.00 0.00 175.76 176.44 2e7m s PHE 36 N -1.30 0.54 0.03 0.00 0.08 0.28 -4.95 117.98 112.65 2e7m s PHE 36 Ca 0.27 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.12 2e7m s PHE 36 Cb -0.13 -0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2e7m s PHE 36 CO 0.16 -0.41 -0.24 0.54 -0.10 0.00 0.00 175.22 175.18 2e7m s VAL 37 N 2.02 1.92 -0.00 -0.44 0.11 -1.26 0.10 120.40 122.85 2e7m s VAL 37 Ca 0.03 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.89 2e7m s VAL 37 Cb -0.14 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 2e7m s VAL 37 CO -0.06 0.36 -0.10 0.00 -3.33 0.00 0.00 175.10 171.97 2e7m s ALA 38 N -0.73 0.83 0.59 1.54 0.00 -0.98 -3.22 121.76 119.78 2e7m s ALA 38 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 2e7m s ALA 38 Cb -0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2e7m s ALA 38 CO 0.01 0.19 1.12 -1.25 0.00 0.00 0.00 175.76 175.83 2e7m s PRO 39 N -0.37 3.15 0.31 0.00 0.04 -1.26 -2.75 135.00 134.12 2e7m s PRO 39 Ca 0.03 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 2e7m s PRO 39 Cb -0.04 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2e7m s PRO 39 CO -0.00 -1.00 1.20 0.00 0.04 0.00 0.00 177.00 177.24 2e7m s ALA 40 N -1.99 3.43 0.47 8.56 0.00 -1.20 -5.00 121.76 126.04 2e7m s ALA 40 Ca 0.71 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 2e7m s ALA 40 Cb -0.23 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 2e7m s ALA 40 CO 0.32 -0.40 1.16 -1.25 0.00 0.00 0.00 175.76 175.59 2e7m s PRO 41 N -1.67 3.69 0.32 0.00 0.04 -1.26 -5.05 135.00 131.07 2e7m s PRO 41 Ca 0.47 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.20 2e7m s PRO 41 Cb -0.35 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 31.93 2e7m s PRO 41 CO 0.46 -0.60 0.28 -0.35 0.04 0.00 0.00 177.00 176.83 2e7m n PRO 42 N -0.64 -1.57 0.04 0.56 -0.04 -1.17 -4.95 135.00 127.24 2e7m n PRO 42 Ca 0.08 -0.45 -0.05 0.00 -0.04 0.00 0.00 63.50 63.04 2e7m n PRO 42 Cb 0.49 -0.42 0.16 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.83 1.31 0.00 0.52 3.04 -2.05 -3.37 116.25 113.87 2e7m h VAL 43 Ca -0.11 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.03 2e7m h VAL 43 Cb 0.32 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2e7m h VAL 43 CO 0.07 0.48 0.00 -0.62 -1.01 0.00 0.00 177.57 176.49 2e7m n GLU 44 N -4.02 0.00 -2.04 4.17 1.02 -1.26 -4.84 120.64 113.67 2e7m n GLU 44 Ca -0.02 0.34 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 2e7m n GLU 44 Cb 0.50 -0.83 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.73 3.08 -0.03 2.62 2.01 -1.26 -5.01 115.64 116.32 2e7m s THR 45 Ca 0.00 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2e7m s THR 45 Cb 0.00 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2e7m s THR 45 CO 0.00 0.03 -0.02 0.42 -0.69 0.00 0.00 174.62 174.36 2e7m s THR 46 N 1.74 0.31 1.18 -0.82 -4.23 -1.26 -3.02 115.64 109.55 2e7m s THR 46 Ca 0.69 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 2e7m s THR 46 Cb -0.39 -0.36 0.28 0.00 1.34 0.00 0.00 72.50 73.37 2e7m s THR 46 CO 0.31 0.16 1.12 -0.31 -0.54 0.00 0.00 174.62 175.36 2e7m s TYR 47 N 0.77 0.60 -0.20 3.99 2.02 -1.26 -5.05 117.35 118.24 2e7m s TYR 47 Ca -0.09 0.50 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 2e7m s TYR 47 Cb -0.12 -3.49 0.02 0.00 -0.40 0.00 0.00 41.96 37.97 2e7m s TYR 47 CO -0.01 -3.77 -0.17 -0.80 -1.57 0.00 0.00 175.55 169.23 2e7m s ASN 48 N -3.95 3.44 -0.47 2.29 0.01 -1.26 -5.06 114.94 109.94 2e7m s ASN 48 Ca 0.71 -0.72 -0.21 0.00 -0.71 0.00 0.00 52.86 51.93 2e7m s ASN 48 Cb -0.10 -1.52 0.03 0.00 0.41 0.00 0.00 41.25 40.08 2e7m s ASN 48 CO 0.56 -0.03 0.71 -0.31 -1.51 0.00 0.00 177.10 176.52 2e7m s TYR 49 N 1.29 3.01 -0.35 2.20 2.02 -1.26 -3.92 117.35 120.33 2e7m s TYR 49 Ca 0.03 -0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 2e7m s TYR 49 Cb -0.14 -3.55 0.08 0.00 -0.40 0.00 0.00 41.96 37.95 2e7m s TYR 49 CO -0.11 -1.00 0.10 -2.00 -1.57 0.00 0.00 175.55 170.98 2e7m s GLU 50 N 3.03 2.19 0.39 -0.62 2.12 -1.15 -4.23 118.70 120.43 2e7m s GLU 50 Ca 0.23 -1.55 -0.07 0.00 0.36 0.00 0.00 54.97 53.94 2e7m s GLU 50 Cb -0.15 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 2e7m s GLU 50 CO 0.18 -0.85 0.70 -1.58 -0.54 0.00 0.00 175.26 173.17 2e7m s TRP 51 N 1.19 3.49 -0.20 5.30 0.52 0.91 -0.99 118.94 129.17 2e7m s TRP 51 Ca 0.02 0.84 -0.28 0.00 0.02 0.00 0.00 56.10 56.70 2e7m s TRP 51 Cb -0.21 -2.28 0.10 0.00 -1.15 0.00 0.00 33.47 29.93 2e7m s TRP 51 CO -0.03 -0.05 0.90 -0.80 0.02 0.00 0.00 176.95 176.99 2e7m s ASN 52 N -3.42 -0.52 -0.52 2.95 0.01 -0.94 -4.03 114.94 108.48 2e7m s ASN 52 Ca 0.48 0.81 -0.19 0.00 -0.71 0.00 0.00 52.86 53.25 2e7m s ASN 52 Cb -0.10 0.76 0.07 0.00 0.41 0.00 0.00 41.25 42.38 2e7m s ASN 52 CO 0.34 -0.31 0.61 -0.22 -1.51 0.00 0.00 177.10 176.01 2e7m s LEU 53 N -0.38 5.13 -0.13 0.60 2.96 -1.26 -1.39 118.68 124.20 2e7m s LEU 53 Ca -0.01 -1.06 0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2e7m s LEU 53 Cb -0.03 -2.39 -0.24 0.00 0.50 0.00 0.00 46.19 44.03 2e7m s LEU 53 CO 0.00 -0.90 0.29 2.30 -1.32 0.00 0.00 176.35 176.72 2e7m n ILE 54 N 5.55 1.32 -4.09 6.68 -0.00 -1.17 -4.86 119.36 122.79 2e7m n ILE 54 Ca -0.08 -0.81 -0.32 0.00 -0.00 0.00 0.00 62.75 61.54 2e7m n ILE 54 Cb 0.45 -0.58 -0.16 0.00 -0.00 0.00 0.00 39.64 39.35 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 -5.57 3.59 -0.22 7.28 0.15 -1.25 -5.01 113.70 112.67 2e7m s SER 55 Ca -0.08 -0.92 -0.30 0.00 0.70 0.00 0.00 55.95 55.35 2e7m s SER 55 Cb 0.07 -1.47 0.16 0.00 -1.71 0.00 0.00 66.02 63.07 2e7m s SER 55 CO 0.83 -0.08 1.18 -1.38 1.20 0.00 0.00 173.24 175.00 2e7m s HIS 56 N 1.24 -0.19 0.16 3.44 -3.43 -1.26 -0.41 115.29 114.84 2e7m s HIS 56 Ca -0.00 0.31 -0.31 0.00 -0.80 0.00 0.00 55.06 54.26 2e7m s HIS 56 Cb -0.16 0.48 -0.08 0.00 -1.43 0.00 0.00 32.58 31.39 2e7m s HIS 56 CO -0.10 -0.19 1.33 -1.25 -2.00 0.00 0.00 174.74 172.54 2e7m s PRO 57 N -1.19 4.37 0.62 -0.38 0.04 -1.25 -4.88 135.00 132.33 2e7m s PRO 57 Ca 0.04 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.39 2e7m s PRO 57 Cb -0.01 -3.23 1.35 0.00 0.04 0.00 0.00 34.50 32.65 2e7m s PRO 57 CO -0.04 -0.32 1.77 0.00 0.04 0.00 0.00 177.00 178.45 2e7m h THR 58 N 4.00 0.17 -0.37 1.26 1.03 -2.01 0.32 112.91 117.32 2e7m h THR 58 Ca -0.43 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.95 2e7m h THR 58 Cb 1.21 0.52 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 2e7m h THR 58 CO 0.81 0.00 0.17 0.44 -0.01 0.00 0.00 175.52 176.93 2e7m h ASP 59 N 0.00 0.45 -3.72 0.00 3.32 -2.01 -3.42 116.42 111.04 2e7m h ASP 59 Ca 0.15 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.64 2e7m h ASP 59 Cb 1.26 -0.12 0.07 0.00 0.22 0.00 0.00 39.33 40.77 2e7m h ASP 59 CO -0.00 0.40 0.71 -0.47 -1.72 0.00 0.00 179.24 178.16 2e7m s TYR 60 N -5.29 2.93 -0.01 4.55 5.04 0.11 -4.92 117.35 119.76 2e7m s TYR 60 Ca -0.08 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 2e7m s TYR 60 Cb 0.17 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.65 2e7m s TYR 60 CO 0.74 -2.42 0.01 1.04 -1.34 0.00 0.00 175.55 173.58 2e7m n GLN 61 N 1.23 3.40 -1.23 4.97 6.02 -1.26 -4.99 117.38 125.52 2e7m n GLN 61 Ca 0.03 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 2e7m n GLN 61 Cb 0.41 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.65 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 2.89 -2.90 3.17 1.08 0.00 -1.26 -4.96 105.19 103.20 2e7m n GLY 62 Ca -0.01 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.97 2.81 0.02 1.61 0.41 -1.26 -5.13 118.70 116.19 2e7m s GLU 63 Ca 0.56 -0.79 -0.07 0.00 -0.41 0.00 0.00 54.97 54.26 2e7m s GLU 63 Cb -0.54 -2.19 -0.05 0.00 -1.78 0.00 0.00 34.13 29.57 2e7m s GLU 63 CO 0.62 0.09 0.30 0.42 -0.49 0.00 0.00 175.26 176.20 2e7m s ILE 64 N 0.55 5.26 -0.20 -1.63 1.01 -1.26 -4.98 121.20 119.94 2e7m s ILE 64 Ca -0.14 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.76 2e7m s ILE 64 Cb -0.17 -3.58 0.25 0.00 0.01 0.00 0.00 42.46 38.97 2e7m s ILE 64 CO 0.05 0.36 1.52 0.29 0.00 0.00 0.00 174.94 177.17 2e7m n LYS 65 N 1.12 1.54 -1.91 2.79 5.02 -1.26 -4.81 118.16 120.65 2e7m n LYS 65 Ca -0.11 -1.24 -0.06 0.00 -2.02 0.00 0.00 58.31 54.88 2e7m n LYS 65 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.00 -1.98 -2.22 1.97 6.02 -1.26 -3.35 117.38 116.57 2e7m n GLN 66 Ca 0.24 0.33 -0.09 0.00 -0.01 0.00 0.00 57.00 57.47 2e7m n GLN 66 Cb 0.88 -4.69 0.01 0.00 1.02 0.00 0.00 30.24 27.46 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 -0.42 0.04 0.00 1.08 0.00 -1.26 -0.06 105.19 104.57 2e7m n GLY 67 Ca -0.07 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 0.57 0.00 -4.11 1.61 -0.00 -1.21 -4.06 115.22 108.02 2e7m n HIS 68 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.44 2e7m n HIS 68 Cb 0.33 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.99 29.95 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2e7m n LYS 69 N -1.35 0.78 0.17 -0.41 5.02 -1.26 -4.60 118.16 116.51 2e7m n LYS 69 Ca 0.02 -3.23 0.03 0.00 -2.02 0.00 0.00 58.31 53.11 2e7m n LYS 69 Cb 0.05 0.51 0.28 0.00 -0.02 0.00 0.00 35.03 35.85 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2e7m h GLN 70 N 0.00 0.00 -5.91 1.97 -0.00 -1.87 -3.43 115.11 105.87 2e7m h GLN 70 Ca -0.34 0.00 -0.67 0.00 -0.00 0.00 0.00 58.65 57.64 2e7m h GLN 70 Cb 1.17 0.00 -0.19 0.00 0.00 0.00 0.00 27.48 28.46 2e7m h GLN 70 CO 0.54 0.47 -0.67 0.95 0.00 0.00 0.00 178.83 180.12 2e7m s THR 71 N -3.68 3.87 -0.08 2.39 -4.23 -1.26 -2.34 115.64 110.31 2e7m s THR 71 Ca -0.01 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 2e7m s THR 71 Cb 0.12 -2.62 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 2e7m s THR 71 CO 0.72 0.58 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.91 2e7m s LEU 72 N -0.55 2.08 -0.07 4.79 2.96 -0.61 -4.86 118.68 122.41 2e7m s LEU 72 Ca 0.09 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2e7m s LEU 72 Cb -0.12 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2e7m s LEU 72 CO 0.02 0.19 -0.15 0.20 -1.32 0.00 0.00 176.35 175.29 2e7m s ASN 73 N 0.15 3.95 0.12 3.68 0.01 -1.26 -0.40 114.94 121.20 2e7m s ASN 73 Ca -0.13 -0.26 0.06 0.00 -0.71 0.00 0.00 52.86 51.82 2e7m s ASN 73 Cb -0.16 -1.07 -0.04 0.00 0.41 0.00 0.00 41.25 40.38 2e7m s ASN 73 CO 0.07 0.28 0.00 -0.76 -1.51 0.00 0.00 177.10 175.18 2e7m s LEU 74 N -0.37 3.41 0.05 0.60 2.01 -0.68 -4.95 118.68 118.75 2e7m s LEU 74 Ca 0.04 -0.26 -0.08 0.00 0.01 0.00 0.00 54.13 53.84 2e7m s LEU 74 Cb -0.12 -2.11 -0.00 0.00 0.01 0.00 0.00 46.19 43.96 2e7m s LEU 74 CO 0.02 0.14 0.16 -0.94 1.01 0.00 0.00 176.35 176.75 2e7m s SER 75 N -2.54 0.11 -1.37 2.29 1.04 -1.25 -3.31 113.70 108.66 2e7m s SER 75 Ca 0.26 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 2e7m s SER 75 Cb -0.11 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.37 2e7m s SER 75 CO 0.18 -0.60 0.58 0.00 0.98 0.00 0.00 173.24 174.39 2e7m n GLN 76 N 0.47 -3.85 -1.86 4.02 6.02 -1.24 -4.92 117.38 116.02 2e7m n GLN 76 Ca -0.18 0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 57.03 2e7m n GLN 76 Cb 0.60 -5.30 0.03 0.00 1.02 0.00 0.00 30.24 26.59 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 -6.65 3.40 0.39 1.08 1.43 -1.19 -4.92 118.68 112.22 2e7m s LEU 77 Ca 0.44 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.48 2e7m s LEU 77 Cb -0.23 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.39 2e7m s LEU 77 CO 0.54 -1.41 0.04 -0.44 0.23 0.00 0.00 176.35 175.31 2e7m s SER 78 N -2.83 4.05 -0.08 2.29 0.01 -1.26 -4.85 113.70 111.02 2e7m s SER 78 Ca 0.64 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 2e7m s SER 78 Cb -0.18 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 2e7m s SER 78 CO 0.41 -0.41 1.63 -0.69 0.41 0.00 0.00 173.24 174.58 2e7m s VAL 79 N -2.64 3.64 0.00 3.43 1.01 -1.26 -4.59 120.40 119.99 2e7m s VAL 79 Ca 0.36 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2e7m s VAL 79 Cb 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2e7m s VAL 79 CO 0.19 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2e7m n GLY 80 N 4.16 0.79 3.76 4.51 0.00 -1.24 -4.97 105.19 112.20 2e7m n GLY 80 Ca 0.17 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 4.44 -0.05 0.99 2.96 -1.26 -3.32 118.68 122.43 2e7m s LEU 81 Ca 0.00 1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 2e7m s LEU 81 Cb 0.00 -3.01 0.04 0.00 0.50 0.00 0.00 46.19 43.71 2e7m s LEU 81 CO 0.00 0.09 0.09 -0.31 -1.32 0.00 0.00 176.35 174.90 2e7m s TYR 82 N -0.22 -0.01 -0.23 5.38 2.02 -1.01 -3.80 117.35 119.48 2e7m s TYR 82 Ca 0.33 0.36 -0.05 0.00 -0.37 0.00 0.00 57.07 57.34 2e7m s TYR 82 Cb -0.19 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 2e7m s TYR 82 CO 0.19 -0.21 -0.00 0.08 -1.57 0.00 0.00 175.55 174.04 2e7m s VAL 83 N 2.13 3.72 -0.29 0.71 1.01 0.45 -0.36 120.40 127.77 2e7m s VAL 83 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2e7m s VAL 83 Cb -0.12 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2e7m s VAL 83 CO -0.04 0.40 0.14 -0.36 0.00 0.00 0.00 175.10 175.23 2e7m s PHE 84 N 1.50 3.16 -0.30 5.22 0.08 -0.40 -3.05 117.98 124.19 2e7m s PHE 84 Ca 0.06 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 2e7m s PHE 84 Cb -0.15 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2e7m s PHE 84 CO -0.01 -0.38 0.20 0.21 -0.10 0.00 0.00 175.22 175.15 2e7m s LYS 85 N 1.64 3.72 -0.74 0.44 2.20 -0.49 -2.52 119.74 123.99 2e7m s LYS 85 Ca 0.06 -0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 55.03 2e7m s LYS 85 Cb -0.16 -3.70 0.17 0.00 -1.51 0.00 0.00 37.83 32.63 2e7m s LYS 85 CO 0.06 -0.30 0.74 0.54 -0.36 0.00 0.00 175.35 176.03 2e7m s VAL 86 N 1.73 5.33 -0.63 4.02 0.11 -1.12 -2.21 120.40 127.63 2e7m s VAL 86 Ca 0.06 -1.97 -0.25 0.00 -2.93 0.00 0.00 61.98 56.89 2e7m s VAL 86 Cb -0.17 -4.47 0.04 0.00 -1.53 0.00 0.00 36.38 30.25 2e7m s VAL 86 CO 0.10 -1.05 1.07 -0.89 -3.33 0.00 0.00 175.10 170.99 2e7m s THR 87 N 1.07 4.16 -0.36 5.04 2.01 -0.16 -2.01 115.64 125.39 2e7m s THR 87 Ca 0.15 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 2e7m s THR 87 Cb -0.16 -4.70 0.06 0.00 0.01 0.00 0.00 72.50 67.72 2e7m s THR 87 CO -0.04 -1.41 0.14 -0.69 -0.69 0.00 0.00 174.62 171.92 2e7m s VAL 88 N 4.55 3.63 0.11 3.82 1.01 0.40 -2.91 120.40 131.01 2e7m s VAL 88 Ca 0.31 -1.43 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2e7m s VAL 88 Cb -0.12 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2e7m s VAL 88 CO 0.17 -0.34 -0.13 -0.44 0.00 0.00 0.00 175.10 174.36 2e7m s SER 89 N 1.63 1.76 0.23 3.32 0.01 -1.25 -0.07 113.70 119.32 2e7m s SER 89 Ca 0.01 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2e7m s SER 89 Cb -0.21 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2e7m s SER 89 CO 0.00 -0.18 0.05 -0.24 0.41 0.00 0.00 173.24 173.28 2e7m n SER 90 N 0.60 1.56 -0.02 2.44 2.88 0.41 -4.20 113.62 117.29 2e7m n SER 90 Ca -0.16 -2.13 -0.11 0.00 -1.33 0.00 0.00 58.87 55.14 2e7m n SER 90 Cb 0.57 0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.75 -1.46 4.57 -2.02 -2.85 114.58 111.64 2e7m h GLU 91 Ca -0.18 0.03 -0.54 0.00 -1.18 0.00 0.00 59.36 57.49 2e7m h GLU 91 Cb 0.64 0.10 -0.37 0.00 -0.16 0.00 0.00 28.75 28.95 2e7m h GLU 91 CO 0.29 -0.28 -0.46 0.27 -1.18 0.00 0.00 179.01 177.65 2e7m n ASN 92 N -5.43 5.24 -3.67 1.04 0.23 -1.26 -4.97 115.26 106.44 2e7m n ASN 92 Ca -0.03 -3.77 -0.10 0.00 -0.53 0.00 0.00 54.58 50.15 2e7m n ASN 92 Cb 0.35 -0.48 -0.04 0.00 -2.08 0.00 0.00 39.78 37.53 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 -3.62 -0.98 -0.27 -2.53 0.00 -1.08 -0.21 121.76 113.08 2e7m s ALA 93 Ca 0.53 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 2e7m s ALA 93 Cb 0.43 0.80 0.08 0.00 0.00 0.00 0.00 23.12 24.43 2e7m s ALA 93 CO 0.02 -0.74 0.75 0.12 0.00 0.00 0.00 175.76 175.91 2e7m s PHE 94 N -3.84 -0.83 -0.01 0.00 2.19 -0.55 -0.45 117.98 114.51 2e7m s PHE 94 Ca 0.06 1.90 -0.28 0.00 0.33 0.00 0.00 56.93 58.94 2e7m s PHE 94 Cb 0.00 0.37 0.10 0.00 -1.31 0.00 0.00 43.02 42.18 2e7m s PHE 94 CO -0.07 -0.40 0.83 0.20 1.83 0.00 0.00 175.22 177.60 2e7m s GLY 95 N 0.70 -0.47 0.12 13.12 0.00 0.90 -1.94 107.32 119.74 2e7m s GLY 95 Ca -0.02 1.14 -0.20 0.00 0.00 0.00 0.00 44.72 45.63 2e7m s GLY 95 CO -0.05 0.51 0.50 -1.83 0.00 0.00 0.00 173.10 172.23 2e7m s GLU 96 N -2.63 1.13 0.32 2.90 4.04 -1.26 0.15 118.70 123.36 2e7m s GLU 96 Ca 0.01 -0.49 0.03 0.00 0.04 0.00 0.00 54.97 54.56 2e7m s GLU 96 Cb -0.01 0.51 -0.04 0.00 0.02 0.00 0.00 34.13 34.62 2e7m s GLU 96 CO -0.05 -0.46 0.15 0.20 -1.84 0.00 0.00 175.26 173.26 2e7m s GLY 97 N -2.55 2.16 -0.06 -3.83 0.00 -0.85 -4.29 107.32 97.90 2e7m s GLY 97 Ca -0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 2e7m s GLY 97 CO -0.10 -1.63 0.12 -1.36 0.00 0.00 0.00 173.10 170.13 2e7m s PHE 98 N -3.52 -0.12 -0.04 1.90 0.40 -1.26 -2.80 117.98 112.55 2e7m s PHE 98 Ca 0.34 0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 57.08 2e7m s PHE 98 Cb 0.05 -0.17 0.03 0.00 0.51 0.00 0.00 43.02 43.43 2e7m s PHE 98 CO 0.17 -0.17 0.05 0.54 0.70 0.00 0.00 175.22 176.51 2e7m s VAL 99 N 1.44 -0.08 0.08 -0.44 0.11 -1.05 -4.75 120.40 115.71 2e7m s VAL 99 Ca -0.06 0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 2e7m s VAL 99 Cb -0.12 -0.16 -0.06 0.00 -1.53 0.00 0.00 36.38 34.51 2e7m s VAL 99 CO -0.05 0.17 0.43 0.20 -3.33 0.00 0.00 175.10 172.52 2e7m s ASN 100 N 2.02 6.71 -0.09 3.54 -0.87 -1.26 -1.27 114.94 123.73 2e7m s ASN 100 Ca 0.03 0.88 -0.02 0.00 -1.57 0.00 0.00 52.86 52.19 2e7m s ASN 100 Cb -0.12 -2.21 0.03 0.00 -0.02 0.00 0.00 41.25 38.93 2e7m s ASN 100 CO -0.03 0.19 0.00 -0.69 -2.57 0.00 0.00 177.10 174.00 2e7m s VAL 101 N -1.35 0.41 -0.10 1.60 1.01 0.52 -1.85 120.40 120.64 2e7m s VAL 101 Ca 0.32 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2e7m s VAL 101 Cb -0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2e7m s VAL 101 CO 0.17 0.21 0.08 -0.89 0.00 0.00 0.00 175.10 174.67 2e7m s THR 102 N 1.95 4.99 -0.35 3.92 2.01 -0.34 -2.40 115.64 125.41 2e7m s THR 102 Ca 0.04 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2e7m s THR 102 Cb -0.13 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.32 2e7m s THR 102 CO -0.06 0.59 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 2e7m s VAL 103 N -0.99 2.84 0.38 3.82 1.01 -1.21 -1.36 120.40 124.89 2e7m s VAL 103 Ca 0.15 -1.96 -0.24 0.00 0.00 0.00 0.00 61.98 59.93 2e7m s VAL 103 Cb -0.12 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.28 2e7m s VAL 103 CO 0.04 -0.48 1.00 -0.54 0.00 0.00 0.00 175.10 175.12 2e7m s LYS 104 N 1.09 4.30 0.60 2.72 -0.14 0.11 -3.70 119.74 124.73 2e7m s LYS 104 Ca 0.05 1.40 -0.17 0.00 -1.36 0.00 0.00 55.97 55.88 2e7m s LYS 104 Cb -0.21 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 2e7m s LYS 104 CO -0.05 0.00 1.12 -1.25 -0.76 0.00 0.00 175.35 174.42 2e7m s PRO 105 N -2.47 3.08 -0.33 -1.68 0.04 -1.26 -1.50 135.00 130.89 2e7m s PRO 105 Ca 0.56 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2e7m s PRO 105 Cb -0.19 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 2e7m s PRO 105 CO 0.24 -1.05 2.28 0.00 0.04 0.00 0.00 177.00 178.51 2e7m n ALA 106 N -1.87 1.40 -1.98 8.56 0.00 -1.26 -4.41 120.51 120.95 2e7m n ALA 106 Ca 0.11 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.84 2e7m n ALA 106 Cb 0.51 -2.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 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 6.90 2.49 -0.63 0.00 0.52 -1.26 -4.90 118.95 122.07 2e7m s ARG 107 Ca 1.02 0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 56.46 2e7m s ARG 107 Cb -0.39 -4.72 0.16 0.00 0.52 0.00 0.00 34.95 30.52 2e7m s ARG 107 CO 0.35 -3.16 0.45 0.45 0.02 0.00 0.00 175.30 173.41 2e7m s SER 108 N 8.53 5.39 0.21 0.23 0.15 -1.26 -5.05 113.70 121.90 2e7m s SER 108 Ca 0.72 -2.77 0.00 0.00 0.70 0.00 0.00 55.95 54.60 2e7m s SER 108 Cb -0.10 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2e7m s SER 108 CO 0.11 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2e7m n GLY 109 N 3.63 0.85 3.60 9.45 0.00 -1.26 -4.22 105.19 117.24 2e7m n GLY 109 Ca 0.07 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2e7m n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 110 N 0.00 3.41 0.09 1.61 0.04 -1.26 -4.91 135.00 133.98 2e7m s PRO 110 Ca 0.00 1.32 -0.35 0.00 0.04 0.00 0.00 61.00 62.01 2e7m s PRO 110 Cb 0.00 -4.15 -0.16 0.00 0.04 0.00 0.00 34.50 30.23 2e7m s PRO 110 CO 0.00 -1.76 1.55 1.03 0.04 0.00 0.00 177.00 177.86 2e7m h SER 111 N 12.26 -1.46 -0.90 6.66 0.87 -2.01 -3.29 113.55 125.69 2e7m h SER 111 Ca -0.32 0.13 -0.55 0.00 -1.23 0.00 0.00 61.79 59.81 2e7m h SER 111 Cb 1.15 0.50 -0.08 0.00 -0.44 0.00 0.00 62.40 63.53 2e7m h SER 111 CO 1.04 -0.63 1.58 -0.94 -0.53 0.00 0.00 176.83 177.36 2e7m s SER 112 N -4.44 6.26 0.00 6.23 1.04 -1.26 -5.16 113.70 116.38 2e7m s SER 112 Ca -0.17 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.55 2e7m s SER 112 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2e7m s SER 112 CO 0.60 -1.74 0.47 0.61 0.98 0.00 0.00 173.24 174.15