#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 3.62 -0.92 1.61 0.01 -1.26 -5.07 113.70 111.69 2e7m s SER 2 Ca 0.00 -1.09 -0.24 0.00 1.31 0.00 0.00 55.95 55.93 2e7m s SER 2 Cb 0.00 -1.03 0.01 0.00 0.21 0.00 0.00 66.02 65.21 2e7m s SER 2 CO 0.00 -0.25 1.63 -0.44 0.41 0.00 0.00 173.24 174.58 2e7m s SER 3 N 1.51 5.92 0.00 2.44 0.01 -1.26 -4.71 113.70 117.61 2e7m s SER 3 Ca -0.05 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2e7m s SER 3 Cb -0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2e7m s SER 3 CO -0.07 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.17 2e7m n GLY 4 N 6.63 3.01 3.55 3.44 0.00 -1.26 -5.03 105.19 115.53 2e7m n GLY 4 Ca 0.31 -1.55 -0.53 0.00 0.00 0.00 0.00 46.02 44.26 2e7m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e7m n SER 5 N 0.00 0.95 -4.53 1.61 2.88 -1.26 -4.83 113.62 108.44 2e7m n SER 5 Ca 0.00 1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 58.25 2e7m n SER 5 Cb 0.00 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 2e7m n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e7m s SER 6 N 0.12 6.73 0.00 -3.46 0.01 -1.26 -4.76 113.70 111.08 2e7m s SER 6 Ca 0.81 -2.15 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2e7m s SER 6 Cb -1.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 62.72 2e7m s SER 6 CO 0.52 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2e7m n GLY 7 N 5.67 2.06 0.00 3.44 0.00 -1.26 -4.79 105.19 110.31 2e7m n GLY 7 Ca 0.37 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 2.31 0.49 -1.01 1.61 -0.04 -1.26 -4.85 135.00 132.25 2e7m n PRO 8 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2e7m n PRO 8 Cb 0.00 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.89 0.00 -4.16 0.54 5.12 -1.26 -4.87 116.66 111.13 2e7m n ARG 9 Ca 0.09 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.87 2e7m n ARG 9 Cb 0.04 -1.10 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 2e7m n ARG 9 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2e7m s THR 10 N 5.52 0.91 0.37 0.55 -4.23 -1.26 -5.15 115.64 112.35 2e7m s THR 10 Ca 0.94 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2e7m s THR 10 Cb -1.01 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2e7m s THR 10 CO 0.42 -0.52 0.23 0.68 -0.54 0.00 0.00 174.62 174.89 2e7m s VAL 11 N -2.25 2.87 1.18 2.29 -7.23 -1.26 -4.95 120.40 111.04 2e7m s VAL 11 Ca 0.03 -1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 2e7m s VAL 11 Cb -0.04 -3.02 0.27 0.00 0.56 0.00 0.00 36.38 34.16 2e7m s VAL 11 CO 0.00 -0.10 1.05 -0.54 -0.31 0.00 0.00 175.10 175.20 2e7m s LYS 12 N -3.94 -1.00 -0.57 4.82 1.02 0.17 -4.86 119.74 115.38 2e7m s LYS 12 Ca 0.41 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.83 2e7m s LYS 12 Cb -0.02 -1.58 0.15 0.00 -0.52 0.00 0.00 37.83 35.86 2e7m s LYS 12 CO 0.24 -3.66 0.35 -1.83 -0.92 0.00 0.00 175.35 169.54 2e7m s GLU 13 N -4.93 2.00 0.16 1.68 -1.05 -1.26 -3.23 118.70 112.06 2e7m s GLU 13 Ca 0.68 -2.78 -0.28 0.00 -0.15 0.00 0.00 54.97 52.44 2e7m s GLU 13 Cb -0.18 -3.10 -0.07 0.00 -0.44 0.00 0.00 34.13 30.34 2e7m s GLU 13 CO 0.59 -1.20 0.88 -0.51 0.95 0.00 0.00 175.26 175.97 2e7m s LEU 14 N -0.63 4.57 -0.74 1.83 1.43 -1.22 -4.91 118.68 119.00 2e7m s LEU 14 Ca 0.21 1.76 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 2e7m s LEU 14 Cb -0.16 -3.47 0.15 0.00 0.03 0.00 0.00 46.19 42.74 2e7m s LEU 14 CO -0.08 0.09 0.81 -0.89 0.23 0.00 0.00 176.35 176.51 2e7m s THR 15 N -0.69 5.10 -0.01 5.49 2.01 -1.08 -4.47 115.64 121.98 2e7m s THR 15 Ca 0.41 -1.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.52 2e7m s THR 15 Cb -0.24 -4.54 -0.05 0.00 0.01 0.00 0.00 72.50 67.69 2e7m s THR 15 CO 0.29 -1.16 0.67 -0.69 -0.69 0.00 0.00 174.62 173.03 2e7m s VAL 16 N 1.75 4.91 -0.16 3.82 1.01 -1.26 -3.08 120.40 127.38 2e7m s VAL 16 Ca 0.18 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 2e7m s VAL 16 Cb -0.15 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.28 2e7m s VAL 16 CO -0.03 0.35 0.38 -0.55 0.00 0.00 0.00 175.10 175.26 2e7m s SER 17 N 0.14 -0.35 0.05 3.32 0.15 0.14 -4.13 113.70 113.01 2e7m s SER 17 Ca 0.35 0.85 -0.16 0.00 0.70 0.00 0.00 55.95 57.68 2e7m s SER 17 Cb -0.19 0.85 -0.20 0.00 -1.71 0.00 0.00 66.02 64.77 2e7m s SER 17 CO 0.19 -0.20 1.20 0.00 1.20 0.00 0.00 173.24 175.63 2e7m h ALA 18 N 7.47 0.17 0.00 5.45 0.00 -1.84 0.57 119.26 131.07 2e7m h ALA 18 Ca -0.31 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2e7m h ALA 18 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2e7m h ALA 18 CO 0.25 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2e7m n GLY 19 N 0.90 0.20 3.86 0.00 0.00 -1.26 -4.10 105.19 104.79 2e7m n GLY 19 Ca -0.09 0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.42 -0.02 0.11 1.61 2.15 -1.26 -5.14 116.67 111.71 2e7m s ASP 20 Ca 0.00 -0.28 -0.31 0.00 0.43 0.00 0.00 52.55 52.39 2e7m s ASP 20 Cb 0.00 0.23 -0.08 0.00 -0.30 0.00 0.00 42.92 42.77 2e7m s ASP 20 CO 0.00 -0.45 1.36 0.54 -0.17 0.00 0.00 175.17 176.45 2e7m s ASN 21 N -3.47 6.86 -0.06 -0.34 2.20 -1.26 -4.69 114.94 114.17 2e7m s ASN 21 Ca 0.23 2.30 0.03 0.00 -0.94 0.00 0.00 52.86 54.47 2e7m s ASN 21 Cb 0.01 -2.59 -0.03 0.00 -2.00 0.00 0.00 41.25 36.64 2e7m s ASN 21 CO -0.00 -0.62 -0.12 -0.76 -2.94 0.00 0.00 177.10 172.65 2e7m s LEU 22 N 1.02 2.87 -0.12 3.54 2.01 -0.98 -5.03 118.68 121.98 2e7m s LEU 22 Ca 0.63 -0.14 0.00 0.00 0.01 0.00 0.00 54.13 54.63 2e7m s LEU 22 Cb -0.36 -1.60 0.02 0.00 0.01 0.00 0.00 46.19 44.26 2e7m s LEU 22 CO 0.31 0.35 -0.11 -0.63 1.01 0.00 0.00 176.35 177.27 2e7m s ILE 23 N -0.73 1.30 0.27 -0.59 1.01 -1.26 -0.60 121.20 120.60 2e7m s ILE 23 Ca 0.11 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.38 2e7m s ILE 23 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2e7m s ILE 23 CO 0.01 0.41 0.04 0.27 0.00 0.00 0.00 174.94 175.67 2e7m s ILE 24 N 1.46 3.58 -0.08 2.92 -4.36 0.47 -4.97 121.20 120.22 2e7m s ILE 24 Ca 0.02 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 2e7m s ILE 24 Cb -0.13 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.65 2e7m s ILE 24 CO -0.08 -0.35 -0.09 -0.89 0.24 0.00 0.00 174.94 173.77 2e7m s THR 25 N -2.30 1.02 0.84 8.37 2.01 -1.24 0.31 115.64 124.65 2e7m s THR 25 Ca 0.32 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2e7m s THR 25 Cb -0.06 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2e7m s THR 25 CO 0.21 0.35 0.26 0.18 -0.69 0.00 0.00 174.62 174.93 2e7m n LEU 26 N 4.30 -0.77 0.28 4.42 4.77 -0.80 -2.44 117.00 126.76 2e7m n LEU 26 Ca -0.19 0.44 0.17 0.00 -0.03 0.00 0.00 56.01 56.40 2e7m n LEU 26 Cb 0.51 -1.13 0.70 0.00 -2.33 0.00 0.00 43.42 41.17 2e7m n LEU 26 CO 0.21 -3.81 1.00 1.55 -1.33 0.00 0.00 177.39 175.01 2e7m h PRO 27 N -0.90 0.00 -5.31 3.23 0.13 -1.93 -3.40 132.00 123.82 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 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2e7m h PRO 27 CO 0.37 0.01 1.63 -0.25 -0.23 0.00 0.00 178.00 179.52 2e7m n ASP 28 N -3.11 1.25 -0.77 1.44 8.00 -1.02 -4.73 116.55 117.62 2e7m n ASP 28 Ca 0.00 -0.27 0.03 0.00 0.71 0.00 0.00 54.79 55.26 2e7m n ASP 28 Cb 0.30 -1.26 0.20 0.00 -0.02 0.00 0.00 41.12 40.34 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 13.32 2.40 -4.53 -2.24 0.23 -1.26 -3.72 115.26 119.46 2e7m n ASN 29 Ca 0.51 -3.60 -0.33 0.00 -0.53 0.00 0.00 54.58 50.63 2e7m n ASN 29 Cb 0.30 -0.56 -0.12 0.00 -2.08 0.00 0.00 39.78 37.33 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 -3.13 2.75 -0.06 -3.83 2.02 -1.26 -2.93 118.70 112.26 2e7m s GLU 30 Ca 0.40 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 2e7m s GLU 30 Cb 0.36 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 32.08 2e7m s GLU 30 CO -0.01 0.60 0.15 0.54 0.02 0.00 0.00 175.26 176.56 2e7m s VAL 31 N -0.65 -0.01 -0.24 2.63 0.11 -1.18 -4.97 120.40 116.09 2e7m s VAL 31 Ca 0.10 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2e7m s VAL 31 Cb -0.11 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 2e7m s VAL 31 CO 0.01 0.02 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.02 2e7m s GLU 32 N 0.40 2.79 0.18 1.54 2.12 -1.26 -1.89 118.70 122.58 2e7m s GLU 32 Ca -0.03 -1.00 0.03 0.00 0.36 0.00 0.00 54.97 54.33 2e7m s GLU 32 Cb -0.04 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 2e7m s GLU 32 CO -0.02 -0.40 0.30 -0.51 -0.54 0.00 0.00 175.26 174.10 2e7m s LEU 33 N 1.30 4.32 -0.05 2.70 1.43 -0.42 -4.92 118.68 123.03 2e7m s LEU 33 Ca -0.00 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2e7m s LEU 33 Cb -0.17 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2e7m s LEU 33 CO -0.06 0.02 -0.05 -0.75 0.23 0.00 0.00 176.35 175.74 2e7m s LYS 34 N -3.45 0.90 0.05 1.70 2.20 -1.26 -1.83 119.74 118.05 2e7m s LYS 34 Ca 0.34 -0.12 -0.21 0.00 -0.36 0.00 0.00 55.97 55.62 2e7m s LYS 34 Cb -0.10 -0.90 -0.06 0.00 -1.51 0.00 0.00 37.83 35.25 2e7m s LYS 34 CO 0.28 -0.09 0.64 0.00 -0.36 0.00 0.00 175.35 175.83 2e7m s ALA 35 N 0.95 3.49 -0.16 3.13 0.00 -0.70 -4.12 121.76 124.36 2e7m s ALA 35 Ca -0.10 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2e7m s ALA 35 Cb -0.14 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2e7m s ALA 35 CO 0.00 0.23 -0.06 -0.06 0.00 0.00 0.00 175.76 175.88 2e7m s PHE 36 N -0.56 1.73 0.01 0.00 0.08 0.20 -4.95 117.98 114.49 2e7m s PHE 36 Ca 0.32 -1.09 0.07 0.00 0.12 0.00 0.00 56.93 56.35 2e7m s PHE 36 Cb -0.20 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2e7m s PHE 36 CO 0.20 -0.62 -0.21 0.54 -0.10 0.00 0.00 175.22 175.03 2e7m s VAL 37 N 1.62 1.65 0.02 -0.44 0.11 -1.26 0.23 120.40 122.33 2e7m s VAL 37 Ca 0.01 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2e7m s VAL 37 Cb -0.15 -1.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2e7m s VAL 37 CO -0.08 0.37 -0.04 0.00 -3.33 0.00 0.00 175.10 172.02 2e7m s ALA 38 N -0.60 0.29 0.65 1.54 0.00 -1.18 -3.68 121.76 118.78 2e7m s ALA 38 Ca 0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 2e7m s ALA 38 Cb -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2e7m s ALA 38 CO 0.00 -0.02 1.11 -1.25 0.00 0.00 0.00 175.76 175.61 2e7m s PRO 39 N -0.81 2.85 0.31 0.00 0.04 -1.26 -2.64 135.00 133.48 2e7m s PRO 39 Ca -0.06 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 2e7m s PRO 39 Cb -0.06 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2e7m s PRO 39 CO -0.00 -1.22 1.20 0.00 0.04 0.00 0.00 177.00 177.02 2e7m s ALA 40 N -2.29 3.43 0.76 8.56 0.00 -1.24 -5.01 121.76 125.98 2e7m s ALA 40 Ca 0.68 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 2e7m s ALA 40 Cb -0.21 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2e7m s ALA 40 CO 0.40 -0.41 1.09 -1.25 0.00 0.00 0.00 175.76 175.60 2e7m s PRO 41 N -1.66 2.29 0.00 0.00 0.04 -1.26 -5.06 135.00 129.35 2e7m s PRO 41 Ca 0.47 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2e7m s PRO 41 Cb -0.35 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2e7m s PRO 41 CO 0.46 -1.62 0.00 -0.35 0.04 0.00 0.00 177.00 175.53 2e7m n PRO 42 N -3.43 -0.82 0.01 0.56 -0.04 -1.13 -4.98 135.00 125.17 2e7m n PRO 42 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2e7m n PRO 42 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.41 1.39 0.12 0.52 3.04 -2.04 -3.39 116.25 114.47 2e7m h VAL 43 Ca 0.00 -2.09 -0.01 0.00 -1.01 0.00 0.00 66.70 63.60 2e7m h VAL 43 Cb 0.00 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2e7m h VAL 43 CO 0.00 0.62 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.79 2e7m h GLU 44 N 0.04 -0.15 -6.47 4.17 5.08 -2.05 -3.44 114.58 111.75 2e7m h GLU 44 Ca -0.08 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.75 2e7m h GLU 44 Cb 1.38 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2e7m h GLU 44 CO 0.14 -0.10 0.53 0.99 -1.00 0.00 0.00 179.01 179.57 2e7m s THR 45 N -2.04 4.14 -0.05 1.13 2.01 -1.26 -5.03 115.64 114.54 2e7m s THR 45 Ca -0.02 1.54 -0.04 0.00 0.31 0.00 0.00 61.69 63.48 2e7m s THR 45 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2e7m s THR 45 CO 0.07 0.12 0.12 0.42 -0.69 0.00 0.00 174.62 174.66 2e7m s THR 46 N 1.05 -0.01 0.86 -0.82 -4.23 -1.26 -2.83 115.64 108.39 2e7m s THR 46 Ca 0.58 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 2e7m s THR 46 Cb -0.28 -0.19 0.11 0.00 1.34 0.00 0.00 72.50 73.48 2e7m s THR 46 CO 0.29 0.02 1.09 -0.31 -0.54 0.00 0.00 174.62 175.17 2e7m s TYR 47 N 0.34 2.48 -0.12 3.99 2.02 -1.26 -5.05 117.35 119.75 2e7m s TYR 47 Ca -0.02 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 57.89 2e7m s TYR 47 Cb -0.04 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 2e7m s TYR 47 CO -0.01 -2.18 -0.00 1.21 -1.57 0.00 0.00 175.55 173.00 2e7m s ASN 48 N -3.56 5.16 -0.35 2.29 3.04 -1.26 -5.07 114.94 115.19 2e7m s ASN 48 Ca 0.62 0.05 -0.12 0.00 0.04 0.00 0.00 52.86 53.45 2e7m s ASN 48 Cb -0.17 -1.64 0.00 0.00 -1.54 0.00 0.00 41.25 37.90 2e7m s ASN 48 CO 0.56 0.28 0.22 -0.31 -3.04 0.00 0.00 177.10 174.82 2e7m s TYR 49 N -0.31 3.22 -0.30 0.43 2.02 -1.26 -4.18 117.35 116.97 2e7m s TYR 49 Ca 0.06 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2e7m s TYR 49 Cb -0.12 -2.46 0.08 0.00 -0.40 0.00 0.00 41.96 39.05 2e7m s TYR 49 CO 0.02 -0.49 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.49 2e7m s GLU 50 N 1.66 1.80 0.39 -0.62 2.12 -1.12 -4.28 118.70 118.65 2e7m s GLU 50 Ca 0.05 -1.59 -0.04 0.00 0.36 0.00 0.00 54.97 53.75 2e7m s GLU 50 Cb -0.18 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2e7m s GLU 50 CO 0.09 -0.76 0.66 -1.58 -0.54 0.00 0.00 175.26 173.12 2e7m s TRP 51 N 1.03 3.52 -0.10 5.30 0.52 0.87 -0.65 118.94 129.41 2e7m s TRP 51 Ca 0.02 0.65 -0.30 0.00 0.02 0.00 0.00 56.10 56.48 2e7m s TRP 51 Cb -0.19 -2.14 0.12 0.00 -1.15 0.00 0.00 33.47 30.10 2e7m s TRP 51 CO -0.07 -0.04 0.96 -0.80 0.02 0.00 0.00 176.95 177.02 2e7m s ASN 52 N -3.80 -0.37 -0.41 2.95 0.01 -0.94 -4.07 114.94 108.31 2e7m s ASN 52 Ca 0.45 0.26 -0.14 0.00 -0.71 0.00 0.00 52.86 52.71 2e7m s ASN 52 Cb -0.10 0.33 0.02 0.00 0.41 0.00 0.00 41.25 41.91 2e7m s ASN 52 CO 0.38 -0.44 0.29 -0.22 -1.51 0.00 0.00 177.10 175.60 2e7m s LEU 53 N -1.63 5.08 -0.17 0.60 2.96 -1.26 -0.89 118.68 123.36 2e7m s LEU 53 Ca 0.01 -0.94 0.18 0.00 -0.22 0.00 0.00 54.13 53.16 2e7m s LEU 53 Cb -0.01 -2.14 -0.26 0.00 0.50 0.00 0.00 46.19 44.29 2e7m s LEU 53 CO -0.02 -0.45 0.16 2.30 -1.32 0.00 0.00 176.35 177.02 2e7m n ILE 54 N 5.14 1.26 -4.35 6.68 -0.00 -1.19 -4.91 119.36 121.98 2e7m n ILE 54 Ca -0.11 -0.82 -0.28 0.00 -0.00 0.00 0.00 62.75 61.54 2e7m n ILE 54 Cb 0.47 -0.45 -0.17 0.00 -0.00 0.00 0.00 39.64 39.49 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 2e7m s SER 55 N -5.43 2.42 -0.07 7.28 0.01 -1.25 -5.05 113.70 111.61 2e7m s SER 55 Ca -0.09 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 2e7m s SER 55 Cb 0.07 -1.07 0.10 0.00 0.21 0.00 0.00 66.02 65.33 2e7m s SER 55 CO 0.84 -0.01 0.82 -1.38 0.41 0.00 0.00 173.24 173.93 2e7m s HIS 56 N 1.10 -0.49 0.93 2.43 -3.43 -1.26 -1.63 115.29 112.94 2e7m s HIS 56 Ca -0.04 0.74 -0.12 0.00 -0.80 0.00 0.00 55.06 54.84 2e7m s HIS 56 Cb -0.14 0.46 0.15 0.00 -1.43 0.00 0.00 32.58 31.61 2e7m s HIS 56 CO -0.03 -0.52 1.09 -1.25 -2.00 0.00 0.00 174.74 172.03 2e7m s PRO 57 N -1.66 0.97 0.30 -0.38 0.04 -1.26 -4.96 135.00 128.06 2e7m s PRO 57 Ca -0.04 0.71 0.10 0.00 0.04 0.00 0.00 61.00 61.81 2e7m s PRO 57 Cb -0.00 -1.78 0.48 0.00 0.04 0.00 0.00 34.50 33.23 2e7m s PRO 57 CO 0.02 -2.41 1.69 0.00 0.04 0.00 0.00 177.00 176.34 2e7m h THR 58 N -1.67 1.37 0.00 1.26 1.03 -1.99 -2.78 112.91 110.13 2e7m h THR 58 Ca -0.51 -1.77 -0.01 0.00 -0.01 0.00 0.00 66.41 64.11 2e7m h THR 58 Cb 1.30 1.94 -0.00 0.00 -1.07 0.00 0.00 68.15 70.31 2e7m h THR 58 CO 0.56 0.51 -0.04 0.44 -0.01 0.00 0.00 175.52 176.98 2e7m h ASP 59 N 0.03 0.00 -3.34 0.00 3.32 -1.94 -3.40 116.42 111.09 2e7m h ASP 59 Ca -0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2e7m h ASP 59 Cb 0.92 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.29 2e7m h ASP 59 CO 0.07 0.04 -0.60 -0.47 -1.72 0.00 0.00 179.24 176.56 2e7m s TYR 60 N -4.46 3.16 -0.05 4.55 5.04 -1.05 -5.02 117.35 119.52 2e7m s TYR 60 Ca -0.04 -0.10 -0.21 0.00 -2.44 0.00 0.00 57.07 54.27 2e7m s TYR 60 Cb 0.14 -2.06 -0.16 0.00 0.35 0.00 0.00 41.96 40.24 2e7m s TYR 60 CO 0.55 0.03 0.90 1.96 -1.34 0.00 0.00 175.55 177.65 2e7m h GLN 61 N 6.87 -0.21 0.00 4.97 4.20 -1.82 -3.43 115.11 125.69 2e7m h GLN 61 Ca -0.35 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2e7m h GLN 61 Cb 1.18 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2e7m h GLN 61 CO 0.66 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 2e7m n GLY 62 N 0.55 1.30 2.82 3.46 0.00 -1.26 -5.10 105.19 106.97 2e7m n GLY 62 Ca -0.08 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.03 1.06 -0.01 1.61 2.02 -1.26 -5.08 118.70 117.01 2e7m s GLU 63 Ca 0.00 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.01 2e7m s GLU 63 Cb 0.00 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.91 2e7m s GLU 63 CO 0.00 -0.76 0.09 0.42 0.02 0.00 0.00 175.26 175.03 2e7m s ILE 64 N 1.55 0.07 -0.43 -1.63 1.01 -1.26 -5.01 121.20 115.49 2e7m s ILE 64 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2e7m s ILE 64 Cb -0.18 -0.32 0.19 0.00 0.01 0.00 0.00 42.46 42.17 2e7m s ILE 64 CO -0.13 -0.30 1.05 0.29 0.00 0.00 0.00 174.94 175.85 2e7m n LYS 65 N 1.94 1.64 -1.82 2.79 4.76 -1.26 -4.82 118.16 121.39 2e7m n LYS 65 Ca -0.20 -0.79 -0.05 0.00 -2.87 0.00 0.00 58.31 54.40 2e7m n LYS 65 Cb 0.56 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.12 -1.90 -2.55 1.97 6.02 -1.26 -3.12 117.38 116.66 2e7m n GLN 66 Ca 0.12 0.28 -0.22 0.00 -0.01 0.00 0.00 57.00 57.16 2e7m n GLN 66 Cb 0.66 -4.60 0.02 0.00 1.02 0.00 0.00 30.24 27.35 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 -0.36 0.11 0.05 1.08 0.00 -1.26 -0.09 105.19 104.72 2e7m n GLY 67 Ca -0.06 0.64 0.03 0.00 0.00 0.00 0.00 46.02 46.64 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 0.05 0.23 -3.83 1.61 -0.00 -1.18 -4.15 115.22 107.94 2e7m n HIS 68 Ca -0.05 0.12 -0.15 0.00 -0.00 0.00 0.00 57.72 57.64 2e7m n HIS 68 Cb 0.42 -0.67 -0.01 0.00 -0.00 0.00 0.00 29.99 29.73 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 -1.73 1.07 0.22 -0.41 4.76 -1.26 -4.57 118.16 116.24 2e7m n LYS 69 Ca -0.00 -1.98 0.10 0.00 -2.87 0.00 0.00 58.31 53.55 2e7m n LYS 69 Cb 0.03 0.27 0.48 0.00 -1.84 0.00 0.00 35.03 33.97 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 -6.34 1.97 4.15 -1.88 -3.43 115.11 109.58 2e7m h GLN 70 Ca -0.21 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.54 2e7m h GLN 70 Cb 0.73 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.25 2e7m h GLN 70 CO 0.33 0.24 -0.71 0.95 -1.93 0.00 0.00 178.83 177.71 2e7m s THR 71 N -3.73 3.63 -0.12 2.39 -4.23 -1.26 -1.72 115.64 110.60 2e7m s THR 71 Ca -0.00 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2e7m s THR 71 Cb 0.11 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2e7m s THR 71 CO 0.64 0.32 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.68 2e7m s LEU 72 N -1.64 1.60 -0.13 4.79 2.96 -0.76 -4.75 118.68 120.75 2e7m s LEU 72 Ca 0.19 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2e7m s LEU 72 Cb -0.11 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 2e7m s LEU 72 CO 0.10 -0.04 -0.08 0.20 -1.32 0.00 0.00 176.35 175.21 2e7m s ASN 73 N 1.29 4.47 0.30 3.68 0.01 -1.26 -1.29 114.94 122.14 2e7m s ASN 73 Ca -0.01 -0.18 0.11 0.00 -0.71 0.00 0.00 52.86 52.07 2e7m s ASN 73 Cb -0.14 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.89 2e7m s ASN 73 CO -0.06 0.21 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.86 2e7m s LEU 74 N 0.10 2.76 0.34 0.60 1.02 -0.79 -4.96 118.68 117.75 2e7m s LEU 74 Ca -0.03 -1.02 -0.02 0.00 0.02 0.00 0.00 54.13 53.08 2e7m s LEU 74 Cb -0.14 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.88 2e7m s LEU 74 CO 0.04 -0.07 0.46 -0.94 0.02 0.00 0.00 176.35 175.86 2e7m s SER 75 N -3.59 0.90 -0.97 2.29 1.04 -1.26 -3.10 113.70 109.01 2e7m s SER 75 Ca 0.32 -1.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.15 2e7m s SER 75 Cb -0.03 0.65 0.12 0.00 0.10 0.00 0.00 66.02 66.87 2e7m s SER 75 CO 0.17 -1.27 0.31 0.00 0.98 0.00 0.00 173.24 173.42 2e7m n GLN 76 N -0.55 -1.61 -2.52 4.02 6.02 -1.25 -4.82 117.38 116.67 2e7m n GLN 76 Ca 0.01 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2e7m n GLN 76 Cb 0.62 -4.13 -0.03 0.00 1.02 0.00 0.00 30.24 27.72 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 -5.69 4.34 0.00 1.08 1.43 -1.15 -5.04 118.68 113.65 2e7m s LEU 77 Ca 0.43 1.84 -0.07 0.00 -1.03 0.00 0.00 54.13 55.30 2e7m s LEU 77 Cb -0.25 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.53 2e7m s LEU 77 CO 0.53 -0.45 0.80 -0.24 0.23 0.00 0.00 176.35 177.22 2e7m n SER 78 N 4.35 0.34 -4.68 2.29 2.88 -1.26 -4.72 113.62 112.82 2e7m n SER 78 Ca 0.09 -1.46 -0.42 0.00 -1.33 0.00 0.00 58.87 55.74 2e7m n SER 78 Cb 0.48 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 2e7m n SER 78 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2e7m s VAL 79 N -2.58 4.79 0.00 2.46 1.01 -1.26 -4.55 120.40 120.26 2e7m s VAL 79 Ca 0.47 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2e7m s VAL 79 Cb -0.02 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2e7m s VAL 79 CO 0.33 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2e7m n GLY 80 N 3.18 2.47 3.66 4.51 0.00 -1.23 -4.96 105.19 112.82 2e7m n GLY 80 Ca 0.08 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 4.14 -0.13 0.99 2.96 -1.26 -3.01 118.68 122.37 2e7m s LEU 81 Ca 0.00 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 2e7m s LEU 81 Cb 0.00 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.83 2e7m s LEU 81 CO 0.00 -0.27 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.27 2e7m s TYR 82 N 1.93 2.27 -0.20 5.38 2.02 -0.63 -3.99 117.35 124.13 2e7m s TYR 82 Ca 0.28 -1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 55.80 2e7m s TYR 82 Cb -0.16 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2e7m s TYR 82 CO 0.10 -0.56 0.01 0.08 -1.57 0.00 0.00 175.55 173.61 2e7m s VAL 83 N 0.98 4.03 -0.21 0.71 1.01 -0.65 0.09 120.40 126.35 2e7m s VAL 83 Ca -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2e7m s VAL 83 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2e7m s VAL 83 CO -0.03 0.43 -0.02 -0.36 0.00 0.00 0.00 175.10 175.12 2e7m s PHE 84 N 0.98 2.99 -0.30 5.22 0.08 0.70 -3.18 117.98 124.47 2e7m s PHE 84 Ca 0.02 -0.71 -0.11 0.00 0.12 0.00 0.00 56.93 56.25 2e7m s PHE 84 Cb -0.14 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2e7m s PHE 84 CO 0.02 -0.41 0.18 0.21 -0.10 0.00 0.00 175.22 175.11 2e7m s LYS 85 N 1.29 3.69 -0.76 0.44 2.20 -0.07 -2.41 119.74 124.12 2e7m s LYS 85 Ca 0.04 -0.49 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 2e7m s LYS 85 Cb -0.14 -3.63 0.17 0.00 -1.51 0.00 0.00 37.83 32.71 2e7m s LYS 85 CO -0.00 -0.29 0.77 0.54 -0.36 0.00 0.00 175.35 176.01 2e7m s VAL 86 N 1.70 5.26 -0.46 4.02 0.11 -1.16 -2.22 120.40 127.65 2e7m s VAL 86 Ca 0.06 -1.90 -0.29 0.00 -2.93 0.00 0.00 61.98 56.93 2e7m s VAL 86 Cb -0.16 -4.50 0.03 0.00 -1.53 0.00 0.00 36.38 30.21 2e7m s VAL 86 CO 0.09 -1.10 1.11 -0.89 -3.33 0.00 0.00 175.10 170.98 2e7m s THR 87 N 1.28 4.26 -0.26 5.04 2.01 0.17 -2.63 115.64 125.51 2e7m s THR 87 Ca 0.17 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.41 2e7m s THR 87 Cb -0.15 -4.57 0.06 0.00 0.01 0.00 0.00 72.50 67.85 2e7m s THR 87 CO -0.04 -0.95 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.15 2e7m s VAL 88 N 4.32 2.08 0.18 3.82 1.01 0.14 -2.79 120.40 129.15 2e7m s VAL 88 Ca 0.47 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2e7m s VAL 88 Cb -0.08 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2e7m s VAL 88 CO 0.30 -0.04 -0.05 -0.55 0.00 0.00 0.00 175.10 174.76 2e7m s SER 89 N 1.14 1.66 0.37 3.32 0.15 -1.26 0.52 113.70 119.60 2e7m s SER 89 Ca -0.08 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.49 2e7m s SER 89 Cb -0.20 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2e7m s SER 89 CO -0.05 -0.44 0.15 -0.94 1.20 0.00 0.00 173.24 173.15 2e7m s SER 90 N -3.21 2.34 0.53 5.45 1.04 -0.74 -4.24 113.70 114.87 2e7m s SER 90 Ca 0.22 -1.64 0.23 0.00 0.48 0.00 0.00 55.95 55.24 2e7m s SER 90 Cb 0.04 0.45 1.38 0.00 0.10 0.00 0.00 66.02 67.99 2e7m s SER 90 CO 0.04 -0.92 2.05 1.05 0.98 0.00 0.00 173.24 176.44 2e7m h GLU 91 N 1.95 0.00 -0.18 4.02 9.09 -2.02 -2.61 114.58 124.83 2e7m h GLU 91 Ca -0.34 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 58.87 2e7m h GLU 91 Cb 1.26 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 28.04 2e7m h GLU 91 CO 0.54 0.00 -0.94 0.27 0.05 0.00 0.00 179.01 178.93 2e7m n ASN 92 N -4.37 1.66 -3.70 3.06 6.94 -1.26 -5.05 115.26 112.54 2e7m n ASN 92 Ca 0.05 -2.52 -0.10 0.00 -0.02 0.00 0.00 54.58 51.99 2e7m n ASN 92 Cb 0.43 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.90 -0.23 -0.29 -2.53 0.00 -0.99 -0.65 121.76 115.17 2e7m s ALA 93 Ca 0.35 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 2e7m s ALA 93 Cb 0.37 1.01 0.14 0.00 0.00 0.00 0.00 23.12 24.64 2e7m s ALA 93 CO -0.10 -0.88 0.88 0.12 0.00 0.00 0.00 175.76 175.78 2e7m s PHE 94 N -3.60 -0.82 0.16 0.00 5.36 -1.20 -1.80 117.98 116.08 2e7m s PHE 94 Ca 0.22 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.52 2e7m s PHE 94 Cb -0.02 0.49 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 2e7m s PHE 94 CO 0.11 -0.41 0.47 0.20 -1.46 0.00 0.00 175.22 174.13 2e7m s GLY 95 N 2.10 -0.19 0.02 13.12 0.00 0.18 -3.42 107.32 119.13 2e7m s GLY 95 Ca -0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 2e7m s GLY 95 CO -0.17 -0.27 0.87 -1.83 0.00 0.00 0.00 173.10 171.70 2e7m s GLU 96 N -3.84 0.89 0.29 2.90 4.04 -1.26 0.27 118.70 121.99 2e7m s GLU 96 Ca 0.06 -0.35 0.04 0.00 0.04 0.00 0.00 54.97 54.76 2e7m s GLU 96 Cb 0.00 0.40 -0.03 0.00 0.02 0.00 0.00 34.13 34.52 2e7m s GLU 96 CO -0.08 -0.39 0.21 0.20 -1.84 0.00 0.00 175.26 173.36 2e7m s GLY 97 N -2.54 2.02 -0.02 -3.83 0.00 -1.08 -4.15 107.32 97.71 2e7m s GLY 97 Ca 0.05 -1.89 -0.00 0.00 0.00 0.00 0.00 44.72 42.88 2e7m s GLY 97 CO -0.08 -1.48 0.03 -1.36 0.00 0.00 0.00 173.10 170.21 2e7m s PHE 98 N -3.69 0.05 -0.04 1.90 0.40 -1.26 -2.97 117.98 112.36 2e7m s PHE 98 Ca 0.39 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.85 2e7m s PHE 98 Cb 0.04 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.32 2e7m s PHE 98 CO 0.21 -0.11 0.09 0.54 0.70 0.00 0.00 175.22 176.65 2e7m s VAL 99 N 1.24 -0.09 0.11 -0.44 0.11 -1.01 -4.76 120.40 115.56 2e7m s VAL 99 Ca -0.07 0.25 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2e7m s VAL 99 Cb -0.13 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 2e7m s VAL 99 CO -0.03 0.10 0.13 0.54 -3.33 0.00 0.00 175.10 172.52 2e7m s ASN 100 N 1.40 5.70 -0.04 3.54 2.20 -1.26 -0.22 114.94 126.26 2e7m s ASN 100 Ca -0.06 0.00 -0.01 0.00 -0.94 0.00 0.00 52.86 51.86 2e7m s ASN 100 Cb -0.12 -1.57 0.03 0.00 -2.00 0.00 0.00 41.25 37.59 2e7m s ASN 100 CO -0.04 0.13 0.03 -0.69 -2.94 0.00 0.00 177.10 173.59 2e7m s VAL 101 N -1.55 0.06 -0.12 3.54 1.01 0.11 -2.33 120.40 121.13 2e7m s VAL 101 Ca 0.31 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 2e7m s VAL 101 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2e7m s VAL 101 CO 0.24 0.17 0.13 -0.89 0.00 0.00 0.00 175.10 174.75 2e7m s THR 102 N 1.63 5.45 -0.50 3.92 2.01 0.23 -1.61 115.64 126.77 2e7m s THR 102 Ca -0.01 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2e7m s THR 102 Cb -0.13 -3.37 0.13 0.00 0.01 0.00 0.00 72.50 69.14 2e7m s THR 102 CO -0.03 0.61 0.25 -0.69 -0.69 0.00 0.00 174.62 174.08 2e7m s VAL 103 N -1.03 2.82 0.59 3.82 1.01 -1.16 -0.39 120.40 126.06 2e7m s VAL 103 Ca 0.15 -2.95 -0.18 0.00 0.00 0.00 0.00 61.98 58.99 2e7m s VAL 103 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2e7m s VAL 103 CO 0.04 -0.77 1.18 -0.54 0.00 0.00 0.00 175.10 175.01 2e7m s LYS 104 N 0.11 3.02 0.65 2.72 -0.14 0.15 -3.57 119.74 122.68 2e7m s LYS 104 Ca 0.15 1.73 -0.15 0.00 -1.36 0.00 0.00 55.97 56.34 2e7m s LYS 104 Cb -0.23 -1.95 -0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2e7m s LYS 104 CO -0.03 -1.14 1.11 -1.25 -0.76 0.00 0.00 175.35 173.28 2e7m s PRO 105 N -3.41 2.83 -0.27 -1.68 0.04 -1.26 -1.90 135.00 129.35 2e7m s PRO 105 Ca 0.75 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2e7m s PRO 105 Cb -0.28 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2e7m s PRO 105 CO 0.33 -1.23 1.44 0.00 0.04 0.00 0.00 177.00 177.57 2e7m s ALA 106 N -2.31 3.31 -0.08 8.56 0.00 -1.26 -4.29 121.76 125.69 2e7m s ALA 106 Ca 0.67 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2e7m s ALA 106 Cb -0.21 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 2e7m s ALA 106 CO 0.41 -1.87 -0.07 2.89 0.00 0.00 0.00 175.76 177.12 2e7m n ARG 107 N 7.48 0.29 -1.96 0.00 1.85 -1.26 -4.96 116.66 118.11 2e7m n ARG 107 Ca 0.16 0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.63 2e7m n ARG 107 Cb 0.46 -1.16 -0.03 0.00 -1.05 0.00 0.00 32.46 30.68 2e7m n ARG 107 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2e7m s SER 108 N -4.74 5.86 0.00 2.89 0.15 -1.26 -4.94 113.70 111.65 2e7m s SER 108 Ca -0.11 1.38 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2e7m s SER 108 Cb 0.03 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2e7m s SER 108 CO 0.19 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.51 2e7m n GLY 109 N 5.45 6.82 3.64 9.45 0.00 -1.26 -4.96 105.19 124.33 2e7m n GLY 109 Ca 0.24 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 1.19 3.88 -0.23 1.61 0.04 -1.26 -4.98 135.00 135.24 2e7m s PRO 110 Ca 0.00 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 2e7m s PRO 110 Cb 0.00 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.60 2e7m s PRO 110 CO 0.00 -1.19 0.57 -1.54 0.04 0.00 0.00 177.00 174.88 2e7m s SER 111 N 3.93 -0.76 -0.20 6.66 1.04 -1.26 -5.15 113.70 117.96 2e7m s SER 111 Ca 0.70 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 2e7m s SER 111 Cb -0.26 1.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 2e7m s SER 111 CO 0.28 -0.22 0.12 -0.44 0.98 0.00 0.00 173.24 173.96 2e7m s SER 112 N 1.47 6.07 0.00 7.02 0.01 -1.26 -5.28 113.70 121.72 2e7m s SER 112 Ca -0.09 0.18 0.26 0.00 1.31 0.00 0.00 55.95 57.61 2e7m s SER 112 Cb -0.06 -2.06 0.64 0.00 0.21 0.00 0.00 66.02 64.75 2e7m s SER 112 CO -0.16 0.16 1.52 0.61 0.41 0.00 0.00 173.24 175.78