#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m n SER 2 N 0.00 -0.61 -4.33 1.61 2.88 -1.26 -4.99 113.62 106.93 2e7m n SER 2 Ca 0.00 0.29 -0.37 0.00 -1.33 0.00 0.00 58.87 57.46 2e7m n SER 2 Cb 0.00 -1.37 -0.13 0.00 -0.75 0.00 0.00 64.21 61.97 2e7m n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e7m s SER 3 N -2.43 5.14 -0.29 -3.46 0.15 -1.26 -4.89 113.70 106.66 2e7m s SER 3 Ca 0.65 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 56.53 2e7m s SER 3 Cb -0.22 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.25 2e7m s SER 3 CO 0.61 -0.21 1.01 0.61 1.20 0.00 0.00 173.24 176.46 2e7m n GLY 4 N 4.85 -0.81 3.57 9.45 0.00 -1.26 -5.15 105.19 115.84 2e7m n GLY 4 Ca -0.14 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.13 4.91 0.20 1.61 0.15 -1.26 -5.12 113.70 114.06 2e7m s SER 5 Ca 0.02 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.73 2e7m s SER 5 Cb 0.05 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 2e7m s SER 5 CO -0.01 0.26 -0.17 -0.94 1.20 0.00 0.00 173.24 173.58 2e7m s SER 6 N -0.21 2.81 0.00 5.45 1.04 -1.26 -5.08 113.70 116.45 2e7m s SER 6 Ca 0.04 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2e7m s SER 6 Cb -0.13 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2e7m s SER 6 CO 0.02 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2e7m n GLY 7 N -0.17 -1.63 0.18 7.32 0.00 -1.26 -5.02 105.19 104.60 2e7m n GLY 7 Ca -0.09 0.72 0.14 0.00 0.00 0.00 0.00 46.02 46.79 2e7m n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7m h PRO 8 N 0.00 0.00 -5.16 1.61 0.13 -2.09 -3.45 132.00 123.04 2e7m h PRO 8 Ca 0.00 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.39 2e7m h PRO 8 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2e7m h PRO 8 CO 0.00 0.00 0.49 2.89 -0.23 0.00 0.00 178.00 181.15 2e7m n ARG 9 N -2.53 0.00 -4.18 0.86 1.85 -1.26 -4.92 116.66 106.47 2e7m n ARG 9 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.75 2e7m n ARG 9 Cb 0.25 -1.29 -0.10 0.00 -1.05 0.00 0.00 32.46 30.27 2e7m n ARG 9 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2e7m s THR 10 N 2.10 0.00 0.31 8.89 -4.23 -1.26 -5.17 115.64 116.27 2e7m s THR 10 Ca 0.88 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2e7m s THR 10 Cb -1.25 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 2e7m s THR 10 CO 0.66 -0.01 0.34 0.68 -0.54 0.00 0.00 174.62 175.75 2e7m s VAL 11 N -4.14 4.08 -0.06 2.29 -7.23 -1.26 -4.90 120.40 109.17 2e7m s VAL 11 Ca 0.37 -1.22 -0.24 0.00 -1.81 0.00 0.00 61.98 59.08 2e7m s VAL 11 Cb 0.06 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 2e7m s VAL 11 CO 0.11 -0.22 0.74 -0.54 -0.31 0.00 0.00 175.10 174.88 2e7m s LYS 12 N -4.02 4.45 -0.60 4.82 1.02 0.71 -4.85 119.74 121.27 2e7m s LYS 12 Ca 0.40 0.95 -0.28 0.00 0.02 0.00 0.00 55.97 57.06 2e7m s LYS 12 Cb -0.08 -3.45 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2e7m s LYS 12 CO 0.28 0.03 1.21 -1.21 -0.92 0.00 0.00 175.35 174.74 2e7m s GLU 13 N 0.89 3.48 0.30 1.68 2.02 -1.26 -1.47 118.70 124.33 2e7m s GLU 13 Ca 0.39 0.20 -0.13 0.00 0.02 0.00 0.00 54.97 55.46 2e7m s GLU 13 Cb -0.18 -4.03 -0.08 0.00 0.10 0.00 0.00 34.13 29.93 2e7m s GLU 13 CO 0.19 -1.74 0.68 -0.51 0.02 0.00 0.00 175.26 173.90 2e7m s LEU 14 N 5.06 4.07 -0.58 1.80 1.43 -1.02 -4.96 118.68 124.48 2e7m s LEU 14 Ca 0.42 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.50 2e7m s LEU 14 Cb -0.08 -3.95 0.12 0.00 0.03 0.00 0.00 46.19 42.32 2e7m s LEU 14 CO 0.24 -0.19 0.61 -0.89 0.23 0.00 0.00 176.35 176.35 2e7m s THR 15 N -1.98 5.04 -0.26 5.49 2.01 -0.64 -4.56 115.64 120.74 2e7m s THR 15 Ca 0.52 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 2e7m s THR 15 Cb -0.10 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 2e7m s THR 15 CO 0.20 -1.00 0.37 -0.69 -0.69 0.00 0.00 174.62 172.81 2e7m s VAL 16 N 2.07 5.18 -0.06 3.82 1.01 -1.26 -2.57 120.40 128.60 2e7m s VAL 16 Ca 0.08 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 2e7m s VAL 16 Cb -0.27 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2e7m s VAL 16 CO 0.04 0.18 0.01 -0.55 0.00 0.00 0.00 175.10 174.78 2e7m s SER 17 N 1.50 1.29 0.12 3.32 0.15 -0.52 -4.36 113.70 115.20 2e7m s SER 17 Ca 0.16 -0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.62 2e7m s SER 17 Cb -0.15 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 2e7m s SER 17 CO 0.09 -0.18 1.48 0.00 1.20 0.00 0.00 173.24 175.83 2e7m h ALA 18 N 8.11 0.50 0.00 5.45 0.00 -1.86 0.36 119.26 131.82 2e7m h ALA 18 Ca -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2e7m h ALA 18 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2e7m h ALA 18 CO 0.28 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2e7m n GLY 19 N 0.00 0.75 3.89 0.00 0.00 -1.26 -4.23 105.19 104.35 2e7m n GLY 19 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.42 -0.01 0.02 1.61 2.15 -1.26 -5.14 116.67 112.63 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 0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.83 2e7m s ASP 20 CO 0.00 -0.51 1.25 0.54 -0.17 0.00 0.00 175.17 176.28 2e7m s ASN 21 N -3.54 7.02 -0.06 -0.34 2.20 -1.26 -4.70 114.94 114.27 2e7m s ASN 21 Ca 0.24 2.00 0.03 0.00 -0.94 0.00 0.00 52.86 54.19 2e7m s ASN 21 Cb -0.00 -2.57 -0.03 0.00 -2.00 0.00 0.00 41.25 36.65 2e7m s ASN 21 CO 0.01 -0.56 -0.12 -0.76 -2.94 0.00 0.00 177.10 172.73 2e7m s LEU 22 N 1.62 2.87 -0.10 3.54 2.01 -1.05 -5.03 118.68 122.53 2e7m s LEU 22 Ca 0.59 -0.14 -0.00 0.00 0.01 0.00 0.00 54.13 54.58 2e7m s LEU 22 Cb -0.29 -1.60 0.02 0.00 0.01 0.00 0.00 46.19 44.34 2e7m s LEU 22 CO 0.27 0.35 -0.06 -0.63 1.01 0.00 0.00 176.35 177.28 2e7m s ILE 23 N -0.75 0.89 0.20 -0.59 1.01 -1.26 -1.69 121.20 119.01 2e7m s ILE 23 Ca 0.12 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2e7m s ILE 23 Cb -0.11 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2e7m s ILE 23 CO 0.01 0.34 0.05 0.27 0.00 0.00 0.00 174.94 175.61 2e7m s ILE 24 N 1.66 3.89 -0.10 2.92 -4.36 -0.50 -4.98 121.20 119.73 2e7m s ILE 24 Ca 0.03 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 2e7m s ILE 24 Cb -0.13 -3.00 0.01 0.00 1.25 0.00 0.00 42.46 40.59 2e7m s ILE 24 CO -0.07 -0.19 -0.16 -0.89 0.24 0.00 0.00 174.94 173.88 2e7m s THR 25 N -1.89 1.49 0.79 8.37 2.01 -1.25 0.14 115.64 125.30 2e7m s THR 25 Ca 0.29 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 2e7m s THR 25 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2e7m s THR 25 CO 0.20 0.44 0.31 0.18 -0.69 0.00 0.00 174.62 175.06 2e7m n LEU 26 N 4.07 -0.49 0.27 4.42 7.99 -0.03 -2.30 117.00 130.92 2e7m n LEU 26 Ca -0.20 0.49 0.17 0.00 -0.01 0.00 0.00 56.01 56.46 2e7m n LEU 26 Cb 0.51 -1.14 0.68 0.00 -0.11 0.00 0.00 43.42 43.37 2e7m n LEU 26 CO 0.24 -3.68 0.98 1.55 -1.51 0.00 0.00 177.39 174.98 2e7m h PRO 27 N -0.69 0.00 -5.20 3.23 0.13 -1.95 -3.36 132.00 124.16 2e7m h PRO 27 Ca -0.44 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 2e7m h PRO 27 Cb 1.34 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 2e7m h PRO 27 CO 0.38 0.03 1.66 -0.25 -0.23 0.00 0.00 178.00 179.59 2e7m n ASP 28 N -3.15 0.79 -0.62 1.44 8.00 -0.97 -4.71 116.55 117.33 2e7m n ASP 28 Ca 0.00 -0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.37 2e7m n ASP 28 Cb 0.31 -1.12 0.20 0.00 -0.02 0.00 0.00 41.12 40.49 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 12.06 2.64 -4.33 -2.24 0.23 -1.26 -3.79 115.26 118.58 2e7m n ASN 29 Ca 0.57 -3.38 -0.32 0.00 -0.53 0.00 0.00 54.58 50.91 2e7m n ASN 29 Cb 0.22 -0.52 -0.15 0.00 -2.08 0.00 0.00 39.78 37.24 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 3.10 -0.03 -3.83 2.02 -1.26 -2.98 118.70 112.69 2e7m s GLU 30 Ca 0.39 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2e7m s GLU 30 Cb 0.34 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 32.13 2e7m s GLU 30 CO 0.02 0.27 0.07 0.54 0.02 0.00 0.00 175.26 176.18 2e7m s VAL 31 N 0.16 -0.03 -0.24 2.63 0.11 -1.20 -4.96 120.40 116.87 2e7m s VAL 31 Ca -0.10 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 2e7m s VAL 31 Cb -0.16 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 2e7m s VAL 31 CO 0.06 0.04 0.07 -0.70 -3.33 0.00 0.00 175.10 171.24 2e7m s GLU 32 N 0.54 3.70 0.12 1.54 2.12 -1.26 -1.71 118.70 123.74 2e7m s GLU 32 Ca -0.04 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 54.89 2e7m s GLU 32 Cb -0.06 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2e7m s GLU 32 CO -0.02 -0.14 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.05 2e7m s LEU 33 N 1.50 3.41 0.05 2.70 1.43 -0.01 -4.95 118.68 122.82 2e7m s LEU 33 Ca 0.06 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2e7m s LEU 33 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2e7m s LEU 33 CO 0.04 0.15 -0.15 -0.75 0.23 0.00 0.00 176.35 175.86 2e7m s LYS 34 N -2.51 0.95 -0.29 1.70 2.20 -1.26 -0.86 119.74 119.67 2e7m s LYS 34 Ca 0.26 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 2e7m s LYS 34 Cb -0.11 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.25 2e7m s LYS 34 CO 0.18 0.24 0.03 0.00 -0.36 0.00 0.00 175.35 175.44 2e7m s ALA 35 N -1.00 2.94 -0.36 3.13 0.00 -0.91 -4.15 121.76 121.40 2e7m s ALA 35 Ca 0.01 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 2e7m s ALA 35 Cb -0.09 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 2e7m s ALA 35 CO 0.02 -0.95 0.39 -0.06 0.00 0.00 0.00 175.76 175.15 2e7m s PHE 36 N 1.42 3.20 -0.15 0.00 0.08 0.12 -4.94 117.98 117.71 2e7m s PHE 36 Ca 0.01 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 2e7m s PHE 36 Cb -0.17 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 2e7m s PHE 36 CO 0.00 -0.49 -0.02 0.08 -0.10 0.00 0.00 175.22 174.69 2e7m s VAL 37 N 2.07 4.09 -0.01 -0.44 1.01 -1.26 -1.43 120.40 124.43 2e7m s VAL 37 Ca 0.12 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2e7m s VAL 37 Cb -0.17 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2e7m s VAL 37 CO 0.12 0.51 -0.05 0.00 0.00 0.00 0.00 175.10 175.68 2e7m s ALA 38 N 0.14 0.44 0.96 5.51 0.00 -1.06 -3.71 121.76 124.04 2e7m s ALA 38 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 2e7m s ALA 38 Cb -0.13 -0.16 0.17 0.00 0.00 0.00 0.00 23.12 23.00 2e7m s ALA 38 CO 0.02 0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.70 2e7m s PRO 39 N 0.10 0.70 0.14 0.00 0.04 -1.26 -1.61 135.00 133.10 2e7m s PRO 39 Ca -0.01 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.41 2e7m s PRO 39 Cb -0.04 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2e7m s PRO 39 CO -0.00 -2.57 0.79 0.00 0.04 0.00 0.00 177.00 175.25 2e7m s ALA 40 N -2.95 3.42 0.71 8.56 0.00 -1.24 -4.98 121.76 125.27 2e7m s ALA 40 Ca 0.65 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 2e7m s ALA 40 Cb -0.18 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 19.97 2e7m s ALA 40 CO 0.57 0.23 1.10 -1.25 0.00 0.00 0.00 175.76 176.41 2e7m s PRO 41 N -0.86 2.55 0.00 0.00 0.04 -1.26 -5.06 135.00 130.41 2e7m s PRO 41 Ca 0.37 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2e7m s PRO 41 Cb -0.23 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2e7m s PRO 41 CO 0.26 -1.43 0.00 -0.35 0.04 0.00 0.00 177.00 175.52 2e7m n PRO 42 N -2.93 0.27 0.02 0.56 -0.04 -1.24 -4.94 135.00 126.70 2e7m n PRO 42 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2e7m n PRO 42 Cb 0.52 0.00 -0.14 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 -0.87 1.14 -0.25 0.52 3.04 -2.05 -3.30 116.25 114.48 2e7m h VAL 43 Ca 0.00 -2.90 0.00 0.00 -1.01 0.00 0.00 66.70 62.79 2e7m h VAL 43 Cb 0.00 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 2e7m h VAL 43 CO 0.00 0.72 0.00 -1.84 -1.01 0.00 0.00 177.57 175.44 2e7m n GLU 44 N -3.25 1.99 -3.68 4.17 0.28 -1.26 -4.78 120.64 114.11 2e7m n GLU 44 Ca -0.13 -1.06 -0.10 0.00 -0.16 0.00 0.00 57.16 55.71 2e7m n GLU 44 Cb 1.02 -1.46 -0.09 0.00 1.43 0.00 0.00 31.44 32.33 2e7m n GLU 44 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2e7m s THR 45 N -1.64 -0.01 -0.17 3.84 2.01 -1.24 -5.14 115.64 113.28 2e7m s THR 45 Ca 0.19 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 2e7m s THR 45 Cb 0.12 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.94 2e7m s THR 45 CO 0.10 0.02 0.06 0.42 -0.69 0.00 0.00 174.62 174.53 2e7m s THR 46 N 1.26 0.18 0.71 -0.82 -4.23 -1.26 -3.70 115.64 107.78 2e7m s THR 46 Ca -0.08 -0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 2e7m s THR 46 Cb -0.07 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 2e7m s THR 46 CO -0.12 -0.20 0.74 -1.22 -0.54 0.00 0.00 174.62 173.28 2e7m n TYR 47 N 5.18 -0.08 -3.63 3.99 4.01 -1.26 -4.97 117.16 120.40 2e7m n TYR 47 Ca -0.08 0.38 -0.36 0.00 -0.16 0.00 0.00 57.90 57.68 2e7m n TYR 47 Cb 0.48 -2.00 -0.07 0.00 -0.31 0.00 0.00 39.34 37.44 2e7m n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2e7m s ASN 48 N -1.54 6.38 -0.42 7.72 -0.87 -1.26 -5.04 114.94 119.90 2e7m s ASN 48 Ca 0.69 0.44 -0.13 0.00 -1.57 0.00 0.00 52.86 52.29 2e7m s ASN 48 Cb -0.35 -2.14 0.05 0.00 -0.02 0.00 0.00 41.25 38.78 2e7m s ASN 48 CO 0.54 0.17 0.30 -0.31 -2.57 0.00 0.00 177.10 175.24 2e7m s TYR 49 N 0.18 3.26 -0.34 2.20 2.02 -1.26 -4.23 117.35 119.18 2e7m s TYR 49 Ca 0.14 -0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 2e7m s TYR 49 Cb -0.12 -2.80 0.07 0.00 -0.40 0.00 0.00 41.96 38.71 2e7m s TYR 49 CO 0.03 -0.71 0.08 -2.00 -1.57 0.00 0.00 175.55 171.37 2e7m s GLU 50 N 1.60 2.26 0.35 -0.62 2.12 -1.13 -4.28 118.70 119.00 2e7m s GLU 50 Ca 0.04 -1.47 -0.08 0.00 0.36 0.00 0.00 54.97 53.81 2e7m s GLU 50 Cb -0.21 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 2e7m s GLU 50 CO 0.07 -0.79 0.68 -1.58 -0.54 0.00 0.00 175.26 173.10 2e7m s TRP 51 N 1.21 3.47 -0.27 5.30 0.52 0.92 -0.19 118.94 129.91 2e7m s TRP 51 Ca 0.00 0.89 -0.23 0.00 0.02 0.00 0.00 56.10 56.78 2e7m s TRP 51 Cb -0.21 -2.31 0.07 0.00 -1.15 0.00 0.00 33.47 29.87 2e7m s TRP 51 CO -0.02 0.01 0.70 -0.80 0.02 0.00 0.00 176.95 176.86 2e7m s ASN 52 N -3.13 -0.77 -0.41 2.95 0.01 -1.05 -4.03 114.94 108.52 2e7m s ASN 52 Ca 0.48 1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 53.90 2e7m s ASN 52 Cb -0.10 1.43 0.02 0.00 0.41 0.00 0.00 41.25 43.00 2e7m s ASN 52 CO 0.30 -0.24 0.44 -0.22 -1.51 0.00 0.00 177.10 175.87 2e7m s LEU 53 N 0.59 4.77 -0.16 0.60 2.96 -1.26 -1.34 118.68 124.82 2e7m s LEU 53 Ca -0.02 -0.57 0.16 0.00 -0.22 0.00 0.00 54.13 53.49 2e7m s LEU 53 Cb -0.05 -2.41 -0.23 0.00 0.50 0.00 0.00 46.19 44.00 2e7m s LEU 53 CO -0.03 -0.56 0.10 2.30 -1.32 0.00 0.00 176.35 176.84 2e7m n ILE 54 N 5.44 1.12 -4.45 6.68 -0.00 -1.19 -4.92 119.36 122.04 2e7m n ILE 54 Ca -0.07 -0.74 -0.33 0.00 -0.00 0.00 0.00 62.75 61.61 2e7m n ILE 54 Cb 0.48 -0.46 -0.16 0.00 -0.00 0.00 0.00 39.64 39.50 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 -5.13 3.42 -0.23 7.28 0.15 -1.24 -5.02 113.70 112.93 2e7m s SER 55 Ca -0.09 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 55.74 2e7m s SER 55 Cb 0.06 -1.52 0.15 0.00 -1.71 0.00 0.00 66.02 63.00 2e7m s SER 55 CO 0.75 0.06 1.15 -1.38 1.20 0.00 0.00 173.24 175.02 2e7m s HIS 56 N 0.95 -0.26 0.21 3.44 -3.43 -1.26 -1.63 115.29 113.32 2e7m s HIS 56 Ca -0.03 0.50 -0.30 0.00 -0.80 0.00 0.00 55.06 54.43 2e7m s HIS 56 Cb -0.15 0.45 -0.09 0.00 -1.43 0.00 0.00 32.58 31.36 2e7m s HIS 56 CO -0.03 -0.20 1.29 -1.25 -2.00 0.00 0.00 174.74 172.54 2e7m s PRO 57 N -0.73 4.40 0.55 -0.38 0.04 -1.26 -4.89 135.00 132.74 2e7m s PRO 57 Ca 0.03 2.05 0.37 0.00 0.04 0.00 0.00 61.00 63.49 2e7m s PRO 57 Cb -0.02 -3.19 1.56 0.00 0.04 0.00 0.00 34.50 32.89 2e7m s PRO 57 CO -0.04 -0.21 1.79 0.00 0.04 0.00 0.00 177.00 178.57 2e7m h THR 58 N 3.64 0.38 -0.45 1.26 1.03 -2.01 0.66 112.91 117.42 2e7m h THR 58 Ca -0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.92 2e7m h THR 58 Cb 1.22 0.38 -0.02 0.00 -1.07 0.00 0.00 68.15 68.66 2e7m h THR 58 CO 0.75 0.00 0.16 0.44 -0.01 0.00 0.00 175.52 176.87 2e7m h ASP 59 N 0.00 0.58 -2.13 0.00 5.19 -1.98 -3.44 116.42 114.65 2e7m h ASP 59 Ca 0.58 -0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 56.31 2e7m h ASP 59 Cb 2.34 -0.15 0.15 0.00 0.18 0.00 0.00 39.33 41.85 2e7m h ASP 59 CO -0.01 0.54 -0.59 0.00 -3.12 0.00 0.00 179.24 176.06 2e7m n TYR 60 N -4.35 -1.07 0.00 4.55 9.36 0.23 -4.91 117.16 120.97 2e7m n TYR 60 Ca 0.03 0.61 0.00 0.00 3.32 0.00 0.00 57.90 61.86 2e7m n TYR 60 Cb 0.16 -1.91 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 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 0.82 0.91 -0.94 2.98 6.02 -1.26 -5.02 117.38 120.89 2e7m n GLN 61 Ca 0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.75 2e7m n GLN 61 Cb 0.40 -0.67 0.07 0.00 1.02 0.00 0.00 30.24 31.06 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 1.60 -3.83 3.04 1.08 0.00 -1.26 -4.99 105.19 100.82 2e7m n GLY 62 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 2e7m n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7m s GLU 63 N -2.51 1.66 0.09 1.61 2.02 -1.26 -5.14 118.70 115.17 2e7m s GLU 63 Ca 0.45 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.03 2e7m s GLU 63 Cb -0.19 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 2e7m s GLU 63 CO 0.78 0.07 0.15 0.42 0.02 0.00 0.00 175.26 176.70 2e7m s ILE 64 N 0.52 4.89 -0.38 -1.63 1.01 -1.26 -4.97 121.20 119.37 2e7m s ILE 64 Ca -0.12 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2e7m s ILE 64 Cb -0.14 -3.40 0.60 0.00 0.01 0.00 0.00 42.46 39.53 2e7m s ILE 64 CO 0.03 0.08 1.73 0.29 0.00 0.00 0.00 174.94 177.07 2e7m n LYS 65 N 0.19 2.10 -1.93 2.79 4.76 -1.26 -4.89 118.16 119.92 2e7m n LYS 65 Ca -0.07 -3.09 -0.15 0.00 -2.87 0.00 0.00 58.31 52.13 2e7m n LYS 65 Cb 0.52 -2.03 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 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 -1.12 -1.71 -2.39 1.97 6.02 -1.26 -3.63 117.38 115.27 2e7m n GLN 66 Ca 0.48 0.78 -0.14 0.00 -0.01 0.00 0.00 57.00 58.12 2e7m n GLN 66 Cb 1.40 -5.23 0.01 0.00 1.02 0.00 0.00 30.24 27.45 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 -0.57 0.07 0.00 1.08 0.00 -1.26 -0.05 105.19 104.46 2e7m n GLY 67 Ca -0.16 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 0.37 0.00 -3.96 1.61 8.25 -1.24 -4.10 115.22 116.16 2e7m n HIS 68 Ca -0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.16 2e7m n HIS 68 Cb 0.38 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 2e7m n HIS 68 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2e7m s LYS 69 N -2.98 2.25 0.50 -0.41 1.02 -1.26 -4.63 119.74 114.23 2e7m s LYS 69 Ca 0.02 -2.05 0.28 0.00 0.02 0.00 0.00 55.97 54.24 2e7m s LYS 69 Cb 0.02 -2.05 1.24 0.00 -0.52 0.00 0.00 37.83 36.52 2e7m s LYS 69 CO 0.05 -0.60 1.95 0.37 -0.92 0.00 0.00 175.35 176.21 2e7m h GLN 70 N 0.80 0.00 -5.86 1.68 4.15 -1.87 -3.43 115.11 110.58 2e7m h GLN 70 Ca -0.37 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.37 2e7m h GLN 70 Cb 1.30 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.75 2e7m h GLN 70 CO 0.58 0.13 -0.76 0.95 -1.93 0.00 0.00 178.83 177.81 2e7m s THR 71 N -3.82 3.11 -0.18 2.39 -4.23 -1.26 -2.14 115.64 109.52 2e7m s THR 71 Ca -0.00 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.82 2e7m s THR 71 Cb 0.11 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 2e7m s THR 71 CO 0.59 0.56 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.90 2e7m s LEU 72 N -0.25 2.66 -0.13 4.79 2.96 -0.04 -4.83 118.68 123.83 2e7m s LEU 72 Ca 0.02 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2e7m s LEU 72 Cb -0.13 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2e7m s LEU 72 CO 0.03 0.06 -0.01 0.20 -1.32 0.00 0.00 176.35 175.30 2e7m s ASN 73 N 0.99 5.04 0.13 3.68 0.02 -1.26 -0.82 114.94 122.72 2e7m s ASN 73 Ca -0.01 -0.01 0.05 0.00 -1.02 0.00 0.00 52.86 51.87 2e7m s ASN 73 Cb -0.15 -1.69 -0.04 0.00 0.02 0.00 0.00 41.25 39.40 2e7m s ASN 73 CO -0.01 0.24 0.04 -0.76 0.02 0.00 0.00 177.10 176.62 2e7m s LEU 74 N -0.06 3.53 0.11 0.60 2.01 -0.70 -4.97 118.68 119.20 2e7m s LEU 74 Ca 0.03 -0.22 -0.07 0.00 0.01 0.00 0.00 54.13 53.88 2e7m s LEU 74 Cb -0.13 -2.20 -0.01 0.00 0.01 0.00 0.00 46.19 43.86 2e7m s LEU 74 CO 0.02 0.12 0.19 -0.94 1.01 0.00 0.00 176.35 176.75 2e7m s SER 75 N -2.70 0.15 -1.22 2.29 1.04 -1.26 -3.22 113.70 108.78 2e7m s SER 75 Ca 0.28 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 2e7m s SER 75 Cb -0.11 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.44 2e7m s SER 75 CO 0.20 -0.76 0.43 0.00 0.98 0.00 0.00 173.24 174.09 2e7m n GLN 76 N -0.09 -3.13 -2.35 4.02 6.02 -1.25 -4.84 117.38 115.75 2e7m n GLN 76 Ca -0.12 0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 2e7m n GLN 76 Cb 0.63 -5.11 -0.03 0.00 1.02 0.00 0.00 30.24 26.75 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 -6.38 4.37 0.21 1.08 1.43 -1.16 -4.55 118.68 113.68 2e7m s LEU 77 Ca 0.37 2.09 -0.05 0.00 -1.03 0.00 0.00 54.13 55.52 2e7m s LEU 77 Cb -0.20 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 2e7m s LEU 77 CO 0.46 -0.53 0.45 -0.44 0.23 0.00 0.00 176.35 176.53 2e7m s SER 78 N 1.10 6.48 -0.23 2.29 0.01 -1.26 -4.73 113.70 117.36 2e7m s SER 78 Ca 0.60 0.63 -0.41 0.00 1.31 0.00 0.00 55.95 58.08 2e7m s SER 78 Cb -0.31 -2.11 -0.18 0.00 0.21 0.00 0.00 66.02 63.64 2e7m s SER 78 CO 0.29 -0.05 1.54 0.52 0.41 0.00 0.00 173.24 175.95 2e7m n VAL 79 N -0.38 0.13 0.00 3.43 0.31 -1.26 -4.78 118.33 115.77 2e7m n VAL 79 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2e7m n VAL 79 Cb 0.53 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 2e7m n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2e7m n GLY 80 N 3.47 1.44 3.91 2.92 0.00 -1.12 -4.95 105.19 110.86 2e7m n GLY 80 Ca 0.25 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 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 4.30 -0.05 0.99 2.96 -1.26 -1.22 118.68 124.40 2e7m s LEU 81 Ca 0.00 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 2e7m s LEU 81 Cb 0.00 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.56 2e7m s LEU 81 CO 0.00 0.09 0.12 -0.31 -1.32 0.00 0.00 176.35 174.94 2e7m s TYR 82 N -1.62 -0.14 -0.33 5.38 1.51 0.77 -4.09 117.35 118.85 2e7m s TYR 82 Ca 0.38 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 2e7m s TYR 82 Cb -0.12 -0.00 0.08 0.00 -0.11 0.00 0.00 41.96 41.80 2e7m s TYR 82 CO 0.26 -0.10 0.04 0.08 -1.11 0.00 0.00 175.55 174.73 2e7m s VAL 83 N 0.45 2.77 -0.28 0.71 1.01 -0.65 -1.16 120.40 123.25 2e7m s VAL 83 Ca -0.03 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 59.98 2e7m s VAL 83 Cb -0.05 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2e7m s VAL 83 CO -0.02 -0.35 0.42 -0.36 0.00 0.00 0.00 175.10 174.79 2e7m s PHE 84 N 1.12 3.24 -0.37 5.22 0.08 -0.60 -3.15 117.98 123.53 2e7m s PHE 84 Ca 0.01 0.40 -0.09 0.00 0.12 0.00 0.00 56.93 57.37 2e7m s PHE 84 Cb -0.20 -2.66 0.04 0.00 -0.57 0.00 0.00 43.02 39.63 2e7m s PHE 84 CO -0.04 -0.30 0.17 0.21 -0.10 0.00 0.00 175.22 175.16 2e7m s LYS 85 N 2.16 2.70 -0.33 0.44 2.20 -0.45 -1.87 119.74 124.58 2e7m s LYS 85 Ca 0.17 -1.19 -0.22 0.00 -0.36 0.00 0.00 55.97 54.37 2e7m s LYS 85 Cb -0.16 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 2e7m s LYS 85 CO 0.10 -0.73 0.70 0.54 -0.36 0.00 0.00 175.35 175.60 2e7m s VAL 86 N 1.47 4.85 -0.41 4.02 0.11 -0.93 -2.51 120.40 126.99 2e7m s VAL 86 Ca 0.01 0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 2e7m s VAL 86 Cb -0.20 -4.10 0.02 0.00 -1.53 0.00 0.00 36.38 30.57 2e7m s VAL 86 CO 0.04 -0.28 0.37 -0.89 -3.33 0.00 0.00 175.10 171.02 2e7m s THR 87 N 2.82 5.17 -0.21 5.04 2.01 0.74 -1.12 115.64 130.09 2e7m s THR 87 Ca 0.28 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2e7m s THR 87 Cb -0.14 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.43 2e7m s THR 87 CO 0.14 -0.35 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.86 2e7m s VAL 88 N 1.92 2.08 0.05 3.82 1.01 -0.39 -2.85 120.40 126.04 2e7m s VAL 88 Ca 0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 2e7m s VAL 88 Cb -0.18 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2e7m s VAL 88 CO 0.12 0.31 -0.03 -0.94 0.00 0.00 0.00 175.10 174.56 2e7m s SER 89 N 1.23 0.47 0.38 3.32 1.04 -1.26 0.10 113.70 118.98 2e7m s SER 89 Ca -0.00 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.54 2e7m s SER 89 Cb -0.16 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2e7m s SER 89 CO -0.10 -0.55 0.12 -1.54 0.98 0.00 0.00 173.24 172.15 2e7m n SER 90 N 0.35 1.42 -0.10 7.02 3.41 0.13 -4.41 113.62 121.44 2e7m n SER 90 Ca -0.16 -2.97 -0.07 0.00 -0.26 0.00 0.00 58.87 55.41 2e7m n SER 90 Cb 0.60 0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 65.41 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 -0.23 -0.66 4.33 4.11 -2.02 -2.61 114.58 117.50 2e7m h GLU 91 Ca -0.30 0.02 -0.47 0.00 0.07 0.00 0.00 59.36 58.68 2e7m h GLU 91 Cb 1.11 0.05 -0.33 0.00 0.50 0.00 0.00 28.75 30.07 2e7m h GLU 91 CO 0.47 -0.15 -0.49 0.27 0.07 0.00 0.00 179.01 179.18 2e7m n ASN 92 N -5.41 4.70 -3.58 3.06 6.94 -1.26 -4.98 115.26 114.73 2e7m n ASN 92 Ca 0.01 -3.78 -0.11 0.00 -0.02 0.00 0.00 54.58 50.68 2e7m n ASN 92 Cb 0.32 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2e7m s ALA 93 N -3.56 -1.19 -0.27 -2.53 0.00 -0.98 -0.21 121.76 113.02 2e7m s ALA 93 Ca 0.51 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.35 2e7m s ALA 93 Cb 0.42 0.81 0.08 0.00 0.00 0.00 0.00 23.12 24.42 2e7m s ALA 93 CO 0.02 -0.74 0.73 0.12 0.00 0.00 0.00 175.76 175.89 2e7m s PHE 94 N -3.80 -0.87 0.11 0.00 2.19 -0.54 0.18 117.98 115.24 2e7m s PHE 94 Ca 0.04 1.95 -0.13 0.00 0.33 0.00 0.00 56.93 59.11 2e7m s PHE 94 Cb -0.00 0.40 0.02 0.00 -1.31 0.00 0.00 43.02 42.13 2e7m s PHE 94 CO -0.10 -0.42 0.32 0.20 1.83 0.00 0.00 175.22 177.05 2e7m s GLY 95 N 0.83 -0.14 -0.06 13.12 0.00 0.29 -2.44 107.32 118.91 2e7m s GLY 95 Ca -0.04 -0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 2e7m s GLY 95 CO -0.07 -0.49 0.33 -0.54 0.00 0.00 0.00 173.10 172.33 2e7m s GLU 96 N -3.82 0.57 0.14 2.90 2.02 -1.26 -1.26 118.70 117.99 2e7m s GLU 96 Ca 0.04 0.06 0.03 0.00 0.02 0.00 0.00 54.97 55.12 2e7m s GLU 96 Cb 0.03 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 2e7m s GLU 96 CO -0.12 -0.13 -0.06 0.20 0.02 0.00 0.00 175.26 175.17 2e7m s GLY 97 N -0.76 1.03 -0.07 -1.39 0.00 -0.28 -4.33 107.32 101.52 2e7m s GLY 97 Ca -0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 2e7m s GLY 97 CO 0.03 -1.53 0.15 -1.36 0.00 0.00 0.00 173.10 170.39 2e7m s PHE 98 N -3.52 -0.17 -0.01 1.90 0.40 -1.26 -2.20 117.98 113.12 2e7m s PHE 98 Ca 0.18 0.53 0.04 0.00 -0.60 0.00 0.00 56.93 57.07 2e7m s PHE 98 Cb 0.05 -0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.43 2e7m s PHE 98 CO 0.00 -0.20 -0.13 0.54 0.70 0.00 0.00 175.22 176.13 2e7m s VAL 99 N 1.54 0.99 -0.04 -0.44 0.11 -0.78 -4.78 120.40 117.01 2e7m s VAL 99 Ca -0.05 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2e7m s VAL 99 Cb -0.12 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2e7m s VAL 99 CO -0.06 0.28 -0.02 0.21 -3.33 0.00 0.00 175.10 172.19 2e7m s ASN 100 N -0.26 5.03 -0.09 3.54 3.04 -1.26 -1.55 114.94 123.38 2e7m s ASN 100 Ca 0.04 0.02 -0.06 0.00 0.04 0.00 0.00 52.86 52.91 2e7m s ASN 100 Cb -0.05 -1.32 0.04 0.00 -1.54 0.00 0.00 41.25 38.37 2e7m s ASN 100 CO -0.00 0.32 0.22 -0.69 -3.04 0.00 0.00 177.10 173.91 2e7m s VAL 101 N -0.97 -0.03 0.14 -5.21 1.01 -0.31 -2.54 120.40 112.49 2e7m s VAL 101 Ca 0.16 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2e7m s VAL 101 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2e7m s VAL 101 CO 0.06 0.04 -0.11 -0.89 0.00 0.00 0.00 175.10 174.20 2e7m s THR 102 N 0.88 3.20 -0.35 3.92 2.01 -0.68 -0.16 115.64 124.46 2e7m s THR 102 Ca -0.06 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.51 2e7m s THR 102 Cb -0.08 -2.52 0.10 0.00 0.01 0.00 0.00 72.50 70.01 2e7m s THR 102 CO -0.05 0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.29 2e7m s VAL 103 N -1.38 2.02 0.29 3.82 1.01 -0.36 -1.41 120.40 124.39 2e7m s VAL 103 Ca 0.22 -2.23 -0.28 0.00 0.00 0.00 0.00 61.98 59.68 2e7m s VAL 103 Cb -0.10 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 2e7m s VAL 103 CO 0.14 -0.63 0.98 -0.54 0.00 0.00 0.00 175.10 175.04 2e7m s LYS 104 N 0.95 4.68 0.60 2.72 -0.14 0.12 -2.79 119.74 125.88 2e7m s LYS 104 Ca 0.11 1.50 -0.17 0.00 -1.36 0.00 0.00 55.97 56.05 2e7m s LYS 104 Cb -0.19 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 2e7m s LYS 104 CO -0.11 0.34 1.12 -1.25 -0.76 0.00 0.00 175.35 174.69 2e7m s PRO 105 N -1.60 3.09 -0.89 -1.68 0.04 -1.26 -0.86 135.00 131.84 2e7m s PRO 105 Ca 0.46 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 2e7m s PRO 105 Cb -0.25 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.12 2e7m s PRO 105 CO 0.31 -1.04 2.59 0.00 0.04 0.00 0.00 177.00 178.90 2e7m n ALA 106 N -1.83 0.46 -0.06 8.56 0.00 -1.26 -4.53 120.51 121.85 2e7m n ALA 106 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 2e7m n ALA 106 Cb 0.51 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.41 2e7m n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7m h ARG 107 N 13.44 0.36 -6.15 0.00 3.08 -1.88 -3.44 114.38 119.80 2e7m h ARG 107 Ca -0.08 -0.14 -0.66 0.00 0.07 0.00 0.00 59.98 59.18 2e7m h ARG 107 Cb 1.28 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.19 2e7m h ARG 107 CO 1.36 0.62 -0.63 0.45 -1.07 0.00 0.00 179.97 180.70 2e7m s SER 108 N -5.95 5.27 0.00 7.04 0.15 -1.26 -5.05 113.70 113.89 2e7m s SER 108 Ca -0.14 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2e7m s SER 108 Cb 0.06 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2e7m s SER 108 CO 0.74 0.25 0.00 0.61 1.20 0.00 0.00 173.24 176.04 2e7m n GLY 109 N 1.15 -0.98 0.25 9.45 0.00 -1.26 -4.98 105.19 108.81 2e7m n GLY 109 Ca -0.13 -1.13 0.16 0.00 0.00 0.00 0.00 46.02 44.92 2e7m n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7m h PRO 110 N 0.00 0.00 -6.59 1.61 0.13 -1.99 -3.43 132.00 121.72 2e7m h PRO 110 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 2e7m h PRO 110 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 2e7m h PRO 110 CO 0.00 0.00 -0.83 -1.54 -0.23 0.00 0.00 178.00 175.40 2e7m s SER 111 N -5.33 3.62 0.33 1.44 1.04 -1.26 -5.12 113.70 108.41 2e7m s SER 111 Ca 0.02 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.82 2e7m s SER 111 Cb 0.09 -0.54 0.05 0.00 0.10 0.00 0.00 66.02 65.73 2e7m s SER 111 CO 0.50 0.27 0.83 -0.55 0.98 0.00 0.00 173.24 175.27 2e7m s SER 112 N -1.27 -0.03 0.00 7.02 0.15 -1.26 -4.98 113.70 113.33 2e7m s SER 112 Ca 0.13 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2e7m s SER 112 Cb -0.10 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2e7m s SER 112 CO 0.04 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.57