#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 4.64 -0.93 1.61 0.01 -1.26 -5.04 113.70 112.73 2e7m s SER 2 Ca 0.00 -2.08 -0.08 0.00 1.31 0.00 0.00 55.95 55.11 2e7m s SER 2 Cb 0.00 -1.50 0.23 0.00 0.21 0.00 0.00 66.02 64.97 2e7m s SER 2 CO 0.00 -0.38 0.86 -0.44 0.41 0.00 0.00 173.24 173.68 2e7m s SER 3 N 1.01 6.58 -0.04 2.44 0.01 -1.26 -5.04 113.70 117.40 2e7m s SER 3 Ca 0.11 -3.33 0.00 0.00 1.31 0.00 0.00 55.95 54.05 2e7m s SER 3 Cb -0.19 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2e7m s SER 3 CO -0.11 -0.34 -0.01 -0.83 0.41 0.00 0.00 173.24 172.36 2e7m s GLY 4 N 1.05 1.84 -0.18 3.44 0.00 -1.26 -5.10 107.32 107.10 2e7m s GLY 4 Ca 0.25 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 2e7m s GLY 4 CO -0.09 -0.72 -0.04 -0.45 0.00 0.00 0.00 173.10 171.80 2e7m s SER 5 N -1.23 2.97 0.19 1.64 0.15 -1.26 -5.01 113.70 111.15 2e7m s SER 5 Ca 0.16 -0.75 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 2e7m s SER 5 Cb -0.11 -0.89 0.09 0.00 -1.71 0.00 0.00 66.02 63.39 2e7m s SER 5 CO 0.06 -0.21 1.68 0.77 1.20 0.00 0.00 173.24 176.74 2e7m h SER 6 N 8.12 1.06 -2.92 5.45 4.64 -2.04 -3.49 113.55 124.37 2e7m h SER 6 Ca -0.22 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2e7m h SER 6 Cb 1.11 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2e7m h SER 6 CO 0.39 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 178.02 2e7m n GLY 7 N -0.54 -2.26 0.00 -0.77 0.00 -1.26 -4.90 105.19 95.45 2e7m n GLY 7 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.11 0.31 -3.27 1.61 -0.04 -1.26 -4.56 135.00 127.68 2e7m n PRO 8 Ca 0.00 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2e7m n PRO 8 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.36 3.11 0.30 0.54 3.00 -1.26 -5.05 118.95 117.23 2e7m s ARG 9 Ca 0.17 -0.81 0.04 0.00 0.00 0.00 0.00 55.73 55.14 2e7m s ARG 9 Cb 0.10 -4.01 -0.06 0.00 0.00 0.00 0.00 34.95 30.98 2e7m s ARG 9 CO 0.21 -0.97 0.02 0.95 0.00 0.00 0.00 175.30 175.52 2e7m s THR 10 N 2.27 1.24 0.21 0.02 -4.23 -1.26 -5.16 115.64 108.72 2e7m s THR 10 Ca 0.13 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 2e7m s THR 10 Cb -0.18 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 2e7m s THR 10 CO 0.13 -0.12 0.18 0.68 -0.54 0.00 0.00 174.62 174.95 2e7m s VAL 11 N -3.27 4.53 0.22 2.29 -7.23 -1.26 -4.89 120.40 110.79 2e7m s VAL 11 Ca 0.34 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 2e7m s VAL 11 Cb 0.07 -3.38 -0.08 0.00 0.56 0.00 0.00 36.38 33.55 2e7m s VAL 11 CO 0.13 -0.22 0.97 -0.54 -0.31 0.00 0.00 175.10 175.13 2e7m s LYS 12 N -3.47 4.79 -0.66 4.82 1.02 0.12 -4.84 119.74 121.53 2e7m s LYS 12 Ca 0.32 1.53 -0.23 0.00 0.02 0.00 0.00 55.97 57.60 2e7m s LYS 12 Cb -0.09 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2e7m s LYS 12 CO 0.24 0.41 1.00 -1.21 -0.92 0.00 0.00 175.35 174.88 2e7m s GLU 13 N -0.94 3.15 0.27 1.68 2.02 -1.26 -1.40 118.70 122.21 2e7m s GLU 13 Ca 0.43 -0.69 -0.15 0.00 0.02 0.00 0.00 54.97 54.58 2e7m s GLU 13 Cb -0.26 -4.20 -0.08 0.00 0.10 0.00 0.00 34.13 29.68 2e7m s GLU 13 CO 0.33 -1.82 0.69 -0.51 0.02 0.00 0.00 175.26 173.97 2e7m s LEU 14 N 4.27 4.17 -0.56 1.80 1.43 -0.95 -4.99 118.68 123.85 2e7m s LEU 14 Ca 0.25 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 2e7m s LEU 14 Cb -0.15 -3.83 0.13 0.00 0.03 0.00 0.00 46.19 42.36 2e7m s LEU 14 CO 0.12 -0.10 0.55 -0.89 0.23 0.00 0.00 176.35 176.26 2e7m s THR 15 N -1.80 5.13 -0.11 5.49 2.01 -1.01 -4.51 115.64 120.84 2e7m s THR 15 Ca 0.49 -1.41 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 2e7m s THR 15 Cb -0.12 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2e7m s THR 15 CO 0.19 -0.93 0.45 -0.69 -0.69 0.00 0.00 174.62 172.95 2e7m s VAL 16 N 1.82 5.18 -0.09 3.82 1.01 -1.26 -2.35 120.40 128.54 2e7m s VAL 16 Ca 0.05 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 2e7m s VAL 16 Cb -0.28 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.35 2e7m s VAL 16 CO 0.03 0.35 0.19 -0.55 0.00 0.00 0.00 175.10 175.13 2e7m s SER 17 N 0.46 0.03 0.12 3.32 0.15 0.04 -4.12 113.70 113.70 2e7m s SER 17 Ca 0.25 0.40 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 2e7m s SER 17 Cb -0.15 0.31 -0.10 0.00 -1.71 0.00 0.00 66.02 64.37 2e7m s SER 17 CO 0.10 -0.18 1.34 0.00 1.20 0.00 0.00 173.24 175.70 2e7m h ALA 18 N 7.52 0.38 0.00 5.45 0.00 -1.85 0.27 119.26 131.03 2e7m h ALA 18 Ca -0.35 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2e7m h ALA 18 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2e7m h ALA 18 CO 0.34 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.70 2e7m n GLY 19 N 0.66 1.42 3.66 0.00 0.00 -1.26 -4.24 105.19 105.42 2e7m n GLY 19 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.23 -0.07 0.19 1.61 2.15 -1.26 -5.14 116.67 113.93 2e7m s ASP 20 Ca 0.00 -0.18 -0.31 0.00 0.43 0.00 0.00 52.55 52.49 2e7m s ASP 20 Cb 0.00 0.20 -0.10 0.00 -0.30 0.00 0.00 42.92 42.72 2e7m s ASP 20 CO 0.00 -0.37 1.51 0.54 -0.17 0.00 0.00 175.17 176.68 2e7m s ASN 21 N -3.03 6.62 -0.07 -0.34 2.20 -1.26 -4.78 114.94 114.28 2e7m s ASN 21 Ca 0.15 2.62 0.01 0.00 -0.94 0.00 0.00 52.86 54.70 2e7m s ASN 21 Cb 0.04 -2.60 -0.03 0.00 -2.00 0.00 0.00 41.25 36.65 2e7m s ASN 21 CO -0.03 -0.77 -0.06 -0.76 -2.94 0.00 0.00 177.10 172.53 2e7m s LEU 22 N 0.57 3.19 -0.07 3.54 2.01 -1.04 -5.04 118.68 121.84 2e7m s LEU 22 Ca 0.66 -0.01 0.01 0.00 0.01 0.00 0.00 54.13 54.79 2e7m s LEU 22 Cb -0.43 -1.70 0.02 0.00 0.01 0.00 0.00 46.19 44.10 2e7m s LEU 22 CO 0.36 0.36 -0.06 -0.63 1.01 0.00 0.00 176.35 177.39 2e7m s ILE 23 N -0.80 0.76 0.35 -0.59 1.01 -1.26 -1.51 121.20 119.16 2e7m s ILE 23 Ca 0.12 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.66 2e7m s ILE 23 Cb -0.11 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.52 2e7m s ILE 23 CO 0.01 0.29 -0.00 0.27 0.00 0.00 0.00 174.94 175.52 2e7m s ILE 24 N 1.22 2.47 -0.04 2.92 -4.36 -0.63 -5.00 121.20 117.79 2e7m s ILE 24 Ca -0.05 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 2e7m s ILE 24 Cb -0.14 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.81 2e7m s ILE 24 CO -0.02 -0.17 -0.01 -0.89 0.24 0.00 0.00 174.94 174.09 2e7m s THR 25 N -2.56 0.28 0.82 8.37 2.01 -1.25 -0.16 115.64 123.15 2e7m s THR 25 Ca 0.35 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 2e7m s THR 25 Cb 0.01 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2e7m s THR 25 CO 0.19 0.18 0.40 0.18 -0.69 0.00 0.00 174.62 174.88 2e7m n LEU 26 N 4.31 -0.01 0.28 4.42 4.77 -0.98 -2.29 117.00 127.50 2e7m n LEU 26 Ca -0.22 0.47 0.18 0.00 -0.03 0.00 0.00 56.01 56.40 2e7m n LEU 26 Cb 0.50 -1.18 0.71 0.00 -2.33 0.00 0.00 43.42 41.12 2e7m n LEU 26 CO 0.20 -3.50 1.00 1.55 -1.33 0.00 0.00 177.39 175.32 2e7m h PRO 27 N -0.84 0.00 -5.66 3.23 0.13 -1.97 -3.43 132.00 123.46 2e7m h PRO 27 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 2e7m h PRO 27 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2e7m h PRO 27 CO 0.38 0.00 1.54 -0.25 -0.23 0.00 0.00 178.00 179.44 2e7m n ASP 28 N -3.08 1.49 -0.34 1.44 8.00 -0.97 -4.76 116.55 118.33 2e7m n ASP 28 Ca 0.00 0.22 0.08 0.00 0.71 0.00 0.00 54.79 55.80 2e7m n ASP 28 Cb 0.29 -1.18 0.17 0.00 -0.02 0.00 0.00 41.12 40.39 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 10.82 2.16 -4.51 -2.24 0.23 -1.26 -3.80 115.26 116.65 2e7m n ASN 29 Ca 0.49 -3.43 -0.33 0.00 -0.53 0.00 0.00 54.58 50.78 2e7m n ASN 29 Cb 0.20 -0.48 -0.12 0.00 -2.08 0.00 0.00 39.78 37.29 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 -3.03 2.62 -0.13 -3.83 2.02 -1.26 -3.07 118.70 112.03 2e7m s GLU 30 Ca 0.35 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 2e7m s GLU 30 Cb 0.32 -2.46 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2e7m s GLU 30 CO -0.01 0.62 0.35 0.54 0.02 0.00 0.00 175.26 176.78 2e7m s VAL 31 N -0.71 0.00 -0.13 2.63 0.11 -1.18 -4.99 120.40 116.13 2e7m s VAL 31 Ca 0.11 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 2e7m s VAL 31 Cb -0.11 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2e7m s VAL 31 CO 0.01 -0.01 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.95 2e7m s GLU 32 N 0.11 3.39 -0.05 1.54 -6.30 -1.26 -1.84 118.70 114.30 2e7m s GLU 32 Ca -0.01 -0.66 0.06 0.00 -2.50 0.00 0.00 54.97 51.86 2e7m s GLU 32 Cb -0.03 -2.66 -0.01 0.00 0.00 0.00 0.00 34.13 31.43 2e7m s GLU 32 CO 0.01 0.24 -0.23 -0.51 0.02 0.00 0.00 175.26 174.78 2e7m s LEU 33 N 0.30 2.03 0.03 2.70 1.43 0.33 -4.95 118.68 120.57 2e7m s LEU 33 Ca -0.09 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2e7m s LEU 33 Cb -0.15 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2e7m s LEU 33 CO 0.05 0.24 -0.19 -0.75 0.23 0.00 0.00 176.35 175.93 2e7m s LYS 34 N -0.22 2.07 -0.17 1.70 2.20 -1.26 -0.11 119.74 123.95 2e7m s LYS 34 Ca -0.01 -0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 54.55 2e7m s LYS 34 Cb -0.12 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 2e7m s LYS 34 CO 0.02 0.54 0.08 0.00 -0.36 0.00 0.00 175.35 175.64 2e7m s ALA 35 N -0.88 3.52 -0.24 3.13 0.00 -0.84 -4.15 121.76 122.29 2e7m s ALA 35 Ca 0.14 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2e7m s ALA 35 Cb -0.10 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.13 2e7m s ALA 35 CO 0.04 0.28 -0.12 -0.06 0.00 0.00 0.00 175.76 175.90 2e7m s PHE 36 N 0.05 3.13 -0.18 0.00 0.08 0.95 -4.96 117.98 117.06 2e7m s PHE 36 Ca 0.07 -2.04 -0.04 0.00 0.12 0.00 0.00 56.93 55.03 2e7m s PHE 36 Cb -0.12 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 2e7m s PHE 36 CO 0.00 -0.84 -0.02 0.08 -0.10 0.00 0.00 175.22 174.34 2e7m s VAL 37 N 1.18 3.91 -0.03 -0.44 1.01 -1.26 -0.78 120.40 123.99 2e7m s VAL 37 Ca -0.04 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2e7m s VAL 37 Cb -0.18 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2e7m s VAL 37 CO -0.06 0.46 -0.25 0.00 0.00 0.00 0.00 175.10 175.25 2e7m s ALA 38 N 0.66 2.12 0.87 5.51 0.00 -0.99 -3.25 121.76 126.68 2e7m s ALA 38 Ca -0.01 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 2e7m s ALA 38 Cb -0.14 -0.57 0.11 0.00 0.00 0.00 0.00 23.12 22.53 2e7m s ALA 38 CO 0.02 0.50 1.09 -1.25 0.00 0.00 0.00 175.76 176.12 2e7m s PRO 39 N -0.50 1.45 0.33 0.00 0.04 -1.26 -2.39 135.00 132.66 2e7m s PRO 39 Ca 0.07 0.89 -0.27 0.00 0.04 0.00 0.00 61.00 61.72 2e7m s PRO 39 Cb -0.11 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2e7m s PRO 39 CO -0.00 -2.12 1.10 0.00 0.04 0.00 0.00 177.00 176.02 2e7m s ALA 40 N -2.93 3.30 0.67 8.56 0.00 -1.20 -5.02 121.76 125.14 2e7m s ALA 40 Ca 0.63 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 53.32 2e7m s ALA 40 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2e7m s ALA 40 CO 0.57 -0.24 1.11 -1.25 0.00 0.00 0.00 175.76 175.94 2e7m s PRO 41 N -1.84 2.75 0.00 0.00 0.04 -1.26 -5.06 135.00 129.64 2e7m s PRO 41 Ca 0.50 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2e7m s PRO 41 Cb -0.30 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2e7m s PRO 41 CO 0.38 -1.28 0.00 -0.35 0.04 0.00 0.00 177.00 175.78 2e7m n PRO 42 N -2.51 -0.14 0.02 0.56 -0.04 -1.22 -4.93 135.00 126.73 2e7m n PRO 42 Ca 0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2e7m n PRO 42 Cb 0.52 0.00 0.43 0.00 -0.04 0.00 0.00 33.50 34.41 2e7m n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2e7m n VAL 43 N -1.64 0.10 -0.00 0.52 3.14 -1.26 -4.46 118.33 114.73 2e7m n VAL 43 Ca 0.00 -0.06 -0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2e7m n VAL 43 Cb 0.00 -0.23 -0.00 0.00 -1.06 0.00 0.00 33.84 32.55 2e7m n VAL 43 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2e7m n GLU 44 N -1.64 0.02 -1.94 1.45 1.02 -1.26 -4.94 120.64 113.34 2e7m n GLU 44 Ca 0.06 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 2e7m n GLU 44 Cb 0.36 -0.35 -0.03 0.00 -0.02 0.00 0.00 31.44 31.40 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 -1.10 3.42 -0.08 2.62 2.01 -1.26 -4.98 115.64 116.27 2e7m s THR 45 Ca -0.01 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2e7m s THR 45 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2e7m s THR 45 CO 0.02 -0.30 -0.13 0.42 -0.69 0.00 0.00 174.62 173.93 2e7m s THR 46 N 6.71 3.13 0.45 -0.82 -4.23 -1.26 -3.39 115.64 116.23 2e7m s THR 46 Ca 0.82 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 2e7m s THR 46 Cb -0.26 -2.26 -0.08 0.00 1.34 0.00 0.00 72.50 71.24 2e7m s THR 46 CO 0.34 0.57 0.90 -0.31 -0.54 0.00 0.00 174.62 175.57 2e7m s TYR 47 N -0.35 3.43 -0.11 3.99 2.02 -1.26 -5.07 117.35 120.00 2e7m s TYR 47 Ca 0.04 1.35 -0.06 0.00 -0.37 0.00 0.00 57.07 58.03 2e7m s TYR 47 Cb -0.12 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2e7m s TYR 47 CO 0.02 -0.21 0.14 1.21 -1.57 0.00 0.00 175.55 175.14 2e7m s ASN 48 N -2.86 6.35 -0.27 2.29 2.47 -1.26 -5.02 114.94 116.62 2e7m s ASN 48 Ca 0.57 0.45 -0.05 0.00 0.42 0.00 0.00 52.86 54.24 2e7m s ASN 48 Cb -0.10 -2.04 0.01 0.00 -1.45 0.00 0.00 41.25 37.67 2e7m s ASN 48 CO 0.27 0.39 0.04 -0.31 -3.72 0.00 0.00 177.10 173.77 2e7m s TYR 49 N -1.06 3.10 -0.32 0.43 1.51 -1.26 -4.08 117.35 115.67 2e7m s TYR 49 Ca 0.16 -1.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 2e7m s TYR 49 Cb -0.12 -2.20 0.08 0.00 -0.11 0.00 0.00 41.96 39.61 2e7m s TYR 49 CO 0.05 -0.58 0.02 -2.00 -1.11 0.00 0.00 175.55 171.93 2e7m s GLU 50 N 1.48 1.99 0.34 -0.62 2.12 -1.12 -4.30 118.70 118.57 2e7m s GLU 50 Ca 0.03 -1.59 -0.09 0.00 0.36 0.00 0.00 54.97 53.68 2e7m s GLU 50 Cb -0.16 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 2e7m s GLU 50 CO 0.01 -0.79 0.66 -1.58 -0.54 0.00 0.00 175.26 173.02 2e7m s TRP 51 N 1.07 3.46 -0.03 5.30 0.52 0.83 -0.01 118.94 130.08 2e7m s TRP 51 Ca 0.01 0.90 -0.30 0.00 0.02 0.00 0.00 56.10 56.73 2e7m s TRP 51 Cb -0.20 -2.31 0.08 0.00 -1.15 0.00 0.00 33.47 29.89 2e7m s TRP 51 CO -0.05 0.06 0.70 -0.80 0.02 0.00 0.00 176.95 176.88 2e7m s ASN 52 N -2.99 -0.62 -0.27 2.95 0.01 -1.02 -4.03 114.94 108.98 2e7m s ASN 52 Ca 0.48 0.59 -0.10 0.00 -0.71 0.00 0.00 52.86 53.12 2e7m s ASN 52 Cb -0.11 0.52 -0.04 0.00 0.41 0.00 0.00 41.25 42.04 2e7m s ASN 52 CO 0.28 -0.63 0.15 -0.22 -1.51 0.00 0.00 177.10 175.17 2e7m s LEU 53 N -1.40 3.82 -0.10 0.60 2.96 -1.26 -1.13 118.68 122.18 2e7m s LEU 53 Ca -0.08 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2e7m s LEU 53 Cb -0.00 -2.05 -0.10 0.00 0.50 0.00 0.00 46.19 44.54 2e7m s LEU 53 CO 0.06 -0.04 -0.01 2.30 -1.32 0.00 0.00 176.35 177.34 2e7m n ILE 54 N 4.99 0.63 -4.09 6.68 -0.00 -1.18 -4.95 119.36 121.44 2e7m n ILE 54 Ca -0.15 -0.34 -0.33 0.00 -0.00 0.00 0.00 62.75 61.93 2e7m n ILE 54 Cb 0.52 -0.81 -0.16 0.00 -0.00 0.00 0.00 39.64 39.19 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 -4.43 3.68 -0.14 7.28 0.01 -1.25 -5.04 113.70 113.80 2e7m s SER 55 Ca -0.08 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 55.99 2e7m s SER 55 Cb 0.03 -1.52 0.07 0.00 0.21 0.00 0.00 66.02 64.81 2e7m s SER 55 CO 0.34 -0.07 0.67 -1.38 0.41 0.00 0.00 173.24 173.20 2e7m s HIS 56 N 1.23 -0.68 0.72 2.43 -3.43 -1.26 -1.88 115.29 112.42 2e7m s HIS 56 Ca -0.00 1.42 -0.12 0.00 -0.80 0.00 0.00 55.06 55.56 2e7m s HIS 56 Cb -0.16 0.33 0.03 0.00 -1.43 0.00 0.00 32.58 31.35 2e7m s HIS 56 CO -0.09 -0.49 1.10 -1.25 -2.00 0.00 0.00 174.74 172.01 2e7m s PRO 57 N -0.48 2.49 0.55 -0.38 0.04 -1.26 -4.93 135.00 131.03 2e7m s PRO 57 Ca -0.06 1.27 0.29 0.00 0.04 0.00 0.00 61.00 62.54 2e7m s PRO 57 Cb -0.02 -1.92 1.58 0.00 0.04 0.00 0.00 34.50 34.18 2e7m s PRO 57 CO 0.06 -1.47 2.12 0.00 0.04 0.00 0.00 177.00 177.74 2e7m h THR 58 N -0.62 0.50 -0.12 1.26 1.03 -2.01 -2.04 112.91 110.90 2e7m h THR 58 Ca -0.45 -0.40 -0.04 0.00 -0.01 0.00 0.00 66.41 65.52 2e7m h THR 58 Cb 1.24 1.26 -0.01 0.00 -1.07 0.00 0.00 68.15 69.57 2e7m h THR 58 CO 0.52 0.08 -0.09 0.44 -0.01 0.00 0.00 175.52 176.47 2e7m h ASP 59 N 0.00 0.17 -3.30 0.00 3.32 -1.98 -3.41 116.42 111.22 2e7m h ASP 59 Ca -0.00 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.45 2e7m h ASP 59 Cb 0.26 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 2e7m h ASP 59 CO 0.01 0.29 -0.10 -0.47 -1.72 0.00 0.00 179.24 177.25 2e7m s TYR 60 N -4.82 3.56 0.10 4.55 5.04 -0.77 -4.98 117.35 120.04 2e7m s TYR 60 Ca -0.05 0.98 -0.13 0.00 -2.44 0.00 0.00 57.07 55.43 2e7m s TYR 60 Cb 0.16 -2.57 -0.15 0.00 0.35 0.00 0.00 41.96 39.76 2e7m s TYR 60 CO 0.72 0.23 1.32 1.96 -1.34 0.00 0.00 175.55 178.43 2e7m h GLN 61 N 6.40 0.79 -0.18 4.97 4.20 -1.84 -3.45 115.11 126.00 2e7m h GLN 61 Ca -0.42 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 57.67 2e7m h GLN 61 Cb 1.19 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2e7m h GLN 61 CO 0.74 1.23 0.00 0.41 -0.67 0.00 0.00 178.83 180.54 2e7m n GLY 62 N 0.64 -0.29 2.73 3.46 0.00 -1.26 -5.11 105.19 105.36 2e7m n GLY 62 Ca -0.07 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.10 0.70 0.02 1.61 2.02 -1.26 -5.12 118.70 116.57 2e7m s GLU 63 Ca 0.00 -0.80 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 2e7m s GLU 63 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.24 2e7m s GLU 63 CO 0.00 -0.85 0.17 0.42 0.02 0.00 0.00 175.26 175.02 2e7m s ILE 64 N 1.73 0.10 -0.55 -1.63 1.01 -1.26 -4.93 121.20 115.66 2e7m s ILE 64 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2e7m s ILE 64 Cb -0.17 -0.67 0.53 0.00 0.01 0.00 0.00 42.46 42.15 2e7m s ILE 64 CO -0.19 -0.43 1.97 0.29 0.00 0.00 0.00 174.94 176.58 2e7m n LYS 65 N 1.08 2.44 -1.99 2.79 4.01 -1.26 -4.87 118.16 120.37 2e7m n LYS 65 Ca -0.21 -3.06 0.00 0.00 -0.51 0.00 0.00 58.31 54.53 2e7m n LYS 65 Cb 0.57 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 32.89 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2e7m n GLN 66 N -0.95 -2.33 -3.15 1.97 6.02 -1.26 -2.48 117.38 115.19 2e7m n GLN 66 Ca 0.60 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.37 2e7m n GLN 66 Cb 1.09 -4.23 0.01 0.00 1.02 0.00 0.00 30.24 28.13 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 -0.34 -0.49 0.15 1.08 0.00 -1.26 -0.12 105.19 104.22 2e7m n GLY 67 Ca 0.00 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.24 0.51 -3.57 1.61 -0.00 -1.03 -4.26 115.22 107.23 2e7m n HIS 68 Ca -0.16 0.27 -0.16 0.00 -0.00 0.00 0.00 57.72 57.67 2e7m n HIS 68 Cb 0.49 -0.79 0.01 0.00 -0.00 0.00 0.00 29.99 29.70 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 -2.07 0.91 0.22 -0.41 4.01 -1.26 -4.59 118.16 114.97 2e7m n LYS 69 Ca -0.01 -2.16 0.10 0.00 -0.51 0.00 0.00 58.31 55.73 2e7m n LYS 69 Cb 0.22 0.14 0.43 0.00 -0.51 0.00 0.00 35.03 35.31 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 2e7m h GLN 70 N 0.00 0.00 -6.17 1.97 4.15 -1.88 -3.42 115.11 109.76 2e7m h GLN 70 Ca -0.21 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.52 2e7m h GLN 70 Cb 0.82 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.26 2e7m h GLN 70 CO 0.33 0.21 -0.78 0.95 -1.93 0.00 0.00 178.83 177.60 2e7m s THR 71 N -3.57 2.94 -0.14 2.39 -4.23 -1.26 -1.99 115.64 109.79 2e7m s THR 71 Ca 0.01 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 2e7m s THR 71 Cb 0.10 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2e7m s THR 71 CO 0.64 0.58 -0.21 -0.22 -0.54 0.00 0.00 174.62 174.87 2e7m s LEU 72 N -0.52 2.19 -0.15 4.79 2.96 0.85 -4.82 118.68 123.98 2e7m s LEU 72 Ca 0.07 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2e7m s LEU 72 Cb -0.12 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2e7m s LEU 72 CO 0.01 0.10 -0.18 0.20 -1.32 0.00 0.00 176.35 175.16 2e7m s ASN 73 N 0.72 3.41 0.30 3.68 0.01 -1.26 -0.51 114.94 121.29 2e7m s ASN 73 Ca -0.09 -0.54 0.07 0.00 -0.71 0.00 0.00 52.86 51.60 2e7m s ASN 73 Cb -0.16 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 2e7m s ASN 73 CO 0.01 0.07 0.25 -0.76 -1.51 0.00 0.00 177.10 175.15 2e7m s LEU 74 N 0.88 3.70 0.35 0.60 1.02 -0.77 -4.97 118.68 119.50 2e7m s LEU 74 Ca -0.05 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 2e7m s LEU 74 Cb -0.15 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.78 2e7m s LEU 74 CO -0.02 -0.20 0.47 -0.94 0.02 0.00 0.00 176.35 175.68 2e7m s SER 75 N -3.92 0.98 -0.90 2.29 1.04 -1.26 -3.11 113.70 108.82 2e7m s SER 75 Ca 0.37 -1.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.20 2e7m s SER 75 Cb -0.07 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.81 2e7m s SER 75 CO 0.26 -1.30 0.29 0.00 0.98 0.00 0.00 173.24 173.46 2e7m n GLN 76 N -0.57 -2.28 -2.79 4.02 6.02 -1.25 -4.87 117.38 115.66 2e7m n GLN 76 Ca 0.01 0.16 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 2e7m n GLN 76 Cb 0.61 -4.73 -0.06 0.00 1.02 0.00 0.00 30.24 27.09 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 -6.04 4.62 0.31 1.08 1.43 -1.17 -5.07 118.68 113.84 2e7m s LEU 77 Ca 0.35 1.90 0.08 0.00 -1.03 0.00 0.00 54.13 55.43 2e7m s LEU 77 Cb -0.20 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2e7m s LEU 77 CO 0.43 0.15 0.16 -0.94 0.23 0.00 0.00 176.35 176.38 2e7m s SER 78 N -1.21 4.94 -0.20 2.29 1.04 -1.26 -4.65 113.70 114.66 2e7m s SER 78 Ca 0.41 -0.59 -0.38 0.00 0.48 0.00 0.00 55.95 55.87 2e7m s SER 78 Cb -0.25 -0.93 -0.14 0.00 0.10 0.00 0.00 66.02 64.80 2e7m s SER 78 CO 0.31 -0.21 1.80 0.55 0.98 0.00 0.00 173.24 176.67 2e7m n VAL 79 N -1.16 0.42 0.00 5.02 3.14 -1.26 -4.68 118.33 119.81 2e7m n VAL 79 Ca -0.04 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2e7m n VAL 79 Cb 0.60 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 2e7m n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2e7m n GLY 80 N 4.27 1.41 3.83 7.55 0.00 -1.00 -4.93 105.19 116.31 2e7m n GLY 80 Ca 0.25 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 4.39 -0.03 0.99 2.96 -1.26 -1.41 118.68 124.32 2e7m s LEU 81 Ca 0.00 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2e7m s LEU 81 Cb 0.00 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2e7m s LEU 81 CO 0.00 0.30 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.00 2e7m s TYR 82 N -0.68 0.43 -0.23 5.38 2.02 -0.22 -4.10 117.35 119.93 2e7m s TYR 82 Ca 0.19 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2e7m s TYR 82 Cb -0.14 -0.42 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 2e7m s TYR 82 CO 0.08 -0.11 -0.10 0.08 -1.57 0.00 0.00 175.55 173.93 2e7m s VAL 83 N 0.70 2.60 -0.29 0.71 1.01 -0.79 -0.20 120.40 124.14 2e7m s VAL 83 Ca -0.08 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 2e7m s VAL 83 Cb -0.11 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2e7m s VAL 83 CO -0.01 0.24 0.10 -0.36 0.00 0.00 0.00 175.10 175.07 2e7m s PHE 84 N 1.28 3.14 -0.39 5.22 0.08 -0.83 -3.13 117.98 123.37 2e7m s PHE 84 Ca -0.00 -0.78 -0.14 0.00 0.12 0.00 0.00 56.93 56.13 2e7m s PHE 84 Cb -0.16 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2e7m s PHE 84 CO -0.06 -0.51 0.27 0.21 -0.10 0.00 0.00 175.22 175.03 2e7m s LYS 85 N 1.55 3.11 -0.42 0.44 2.20 -0.28 -2.76 119.74 123.58 2e7m s LYS 85 Ca 0.04 -0.92 -0.20 0.00 -0.36 0.00 0.00 55.97 54.53 2e7m s LYS 85 Cb -0.17 -3.90 0.02 0.00 -1.51 0.00 0.00 37.83 32.27 2e7m s LYS 85 CO 0.04 -0.66 0.59 0.54 -0.36 0.00 0.00 175.35 175.51 2e7m s VAL 86 N 1.68 4.90 -0.47 4.02 0.11 -1.21 -2.43 120.40 126.98 2e7m s VAL 86 Ca 0.05 0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 2e7m s VAL 86 Cb -0.19 -4.14 0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2e7m s VAL 86 CO 0.10 -0.50 0.63 -0.89 -3.33 0.00 0.00 175.10 171.11 2e7m s THR 87 N 2.65 4.84 -0.31 5.04 2.01 0.98 -1.64 115.64 129.21 2e7m s THR 87 Ca 0.21 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2e7m s THR 87 Cb -0.15 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.16 2e7m s THR 87 CO 0.17 -0.70 0.02 -0.69 -0.69 0.00 0.00 174.62 172.73 2e7m s VAL 88 N 2.75 3.11 0.09 3.82 1.01 0.30 -2.80 120.40 128.68 2e7m s VAL 88 Ca 0.19 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2e7m s VAL 88 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2e7m s VAL 88 CO 0.15 -0.15 -0.09 -0.94 0.00 0.00 0.00 175.10 174.08 2e7m s SER 89 N 1.30 1.32 0.26 3.32 1.04 -1.26 0.00 113.70 119.69 2e7m s SER 89 Ca -0.04 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2e7m s SER 89 Cb -0.20 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 65.95 2e7m s SER 89 CO -0.01 -0.31 0.04 -0.24 0.98 0.00 0.00 173.24 173.70 2e7m n SER 90 N 0.48 2.02 -0.02 7.02 2.88 0.13 -4.38 113.62 121.75 2e7m n SER 90 Ca -0.16 -2.22 -0.11 0.00 -1.33 0.00 0.00 58.87 55.05 2e7m n SER 90 Cb 0.58 0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 64.36 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 -0.76 -1.46 4.57 -2.02 -2.82 114.58 111.66 2e7m h GLU 91 Ca -0.21 0.03 -0.54 0.00 -1.18 0.00 0.00 59.36 57.46 2e7m h GLU 91 Cb 0.69 0.10 -0.37 0.00 -0.16 0.00 0.00 28.75 29.01 2e7m h GLU 91 CO 0.34 -0.28 -0.43 -1.71 -1.18 0.00 0.00 179.01 175.75 2e7m n ASN 92 N -5.43 5.28 -3.52 1.04 2.85 -1.26 -4.99 115.26 109.22 2e7m n ASN 92 Ca -0.03 -3.77 -0.11 0.00 -0.11 0.00 0.00 54.58 50.56 2e7m n ASN 92 Cb 0.35 -0.49 -0.03 0.00 1.24 0.00 0.00 39.78 40.85 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e7m s ALA 93 N -3.62 -1.27 -0.24 5.20 0.00 -1.07 -0.70 121.76 120.06 2e7m s ALA 93 Ca 0.53 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 2e7m s ALA 93 Cb 0.43 0.79 0.06 0.00 0.00 0.00 0.00 23.12 24.40 2e7m s ALA 93 CO 0.02 -0.71 0.64 0.12 0.00 0.00 0.00 175.76 175.84 2e7m s PHE 94 N -3.76 -0.74 0.03 0.00 2.19 -0.49 0.23 117.98 115.44 2e7m s PHE 94 Ca 0.02 1.75 -0.27 0.00 0.33 0.00 0.00 56.93 58.75 2e7m s PHE 94 Cb 0.00 0.28 0.09 0.00 -1.31 0.00 0.00 43.02 42.09 2e7m s PHE 94 CO -0.12 -0.36 0.80 0.20 1.83 0.00 0.00 175.22 177.57 2e7m s GLY 95 N 0.50 -0.51 0.03 13.12 0.00 0.10 -2.25 107.32 118.32 2e7m s GLY 95 Ca -0.01 0.91 -0.26 0.00 0.00 0.00 0.00 44.72 45.36 2e7m s GLY 95 CO -0.02 0.33 0.61 -1.83 0.00 0.00 0.00 173.10 172.19 2e7m s GLU 96 N -3.17 1.11 0.20 2.90 4.04 -1.26 0.11 118.70 122.62 2e7m s GLU 96 Ca 0.03 -0.08 0.01 0.00 0.04 0.00 0.00 54.97 54.98 2e7m s GLU 96 Cb -0.01 0.51 -0.00 0.00 0.02 0.00 0.00 34.13 34.65 2e7m s GLU 96 CO -0.09 -0.40 0.05 0.41 -1.84 0.00 0.00 175.26 173.38 2e7m n GLY 97 N 0.43 3.77 3.28 -3.83 0.00 -0.65 -4.23 105.19 103.95 2e7m n GLY 97 Ca -0.18 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 2e7m n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e7m s PHE 98 N -2.12 -0.65 -0.06 1.61 0.40 -1.26 -3.35 117.98 112.54 2e7m s PHE 98 Ca 0.07 1.36 -0.00 0.00 -0.60 0.00 0.00 56.93 57.75 2e7m s PHE 98 Cb 0.00 0.28 0.03 0.00 0.51 0.00 0.00 43.02 43.84 2e7m s PHE 98 CO 0.05 -0.37 -0.02 0.54 0.70 0.00 0.00 175.22 176.12 2e7m s VAL 99 N 1.63 0.44 -0.18 -0.44 0.11 -1.11 -4.72 120.40 116.13 2e7m s VAL 99 Ca -0.08 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 2e7m s VAL 99 Cb -0.09 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 2e7m s VAL 99 CO -0.13 0.24 0.19 0.20 -3.33 0.00 0.00 175.10 172.27 2e7m s ASN 100 N 1.53 6.31 -0.15 3.54 -0.87 -1.26 -1.95 114.94 122.08 2e7m s ASN 100 Ca -0.02 0.35 0.01 0.00 -1.57 0.00 0.00 52.86 51.63 2e7m s ASN 100 Cb -0.13 -2.12 0.02 0.00 -0.02 0.00 0.00 41.25 39.00 2e7m s ASN 100 CO -0.03 0.17 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.82 2e7m s VAL 101 N 0.29 1.65 -0.10 1.60 1.01 0.72 -2.49 120.40 123.08 2e7m s VAL 101 Ca 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2e7m s VAL 101 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2e7m s VAL 101 CO 0.01 0.47 0.05 -0.89 0.00 0.00 0.00 175.10 174.73 2e7m s THR 102 N 1.37 4.70 -0.29 3.92 2.01 -0.57 -1.06 115.64 125.72 2e7m s THR 102 Ca 0.03 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 2e7m s THR 102 Cb -0.13 -3.01 0.04 0.00 0.01 0.00 0.00 72.50 69.40 2e7m s THR 102 CO -0.10 0.60 0.00 -0.69 -0.69 0.00 0.00 174.62 173.75 2e7m s VAL 103 N -0.83 3.16 0.29 3.82 1.01 -0.50 -1.60 120.40 125.75 2e7m s VAL 103 Ca 0.13 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 2e7m s VAL 103 Cb -0.12 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2e7m s VAL 103 CO 0.03 0.01 0.99 -0.54 0.00 0.00 0.00 175.10 175.58 2e7m s LYS 104 N 1.32 4.66 0.55 2.72 -0.14 0.78 -2.37 119.74 127.26 2e7m s LYS 104 Ca -0.02 1.52 -0.19 0.00 -1.36 0.00 0.00 55.97 55.92 2e7m s LYS 104 Cb -0.18 -3.06 -0.06 0.00 -1.68 0.00 0.00 37.83 32.85 2e7m s LYS 104 CO -0.01 0.32 1.13 -1.25 -0.76 0.00 0.00 175.35 174.77 2e7m s PRO 105 N -1.61 3.34 -0.28 -1.68 0.04 -1.26 -2.32 135.00 131.24 2e7m s PRO 105 Ca 0.46 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 2e7m s PRO 105 Cb -0.25 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2e7m s PRO 105 CO 0.32 -0.86 2.17 0.00 0.04 0.00 0.00 177.00 178.67 2e7m s ALA 106 N -1.78 2.59 -0.95 8.56 0.00 -1.26 -4.61 121.76 124.31 2e7m s ALA 106 Ca 0.73 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 2e7m s ALA 106 Cb -0.24 -4.11 0.24 0.00 0.00 0.00 0.00 23.12 19.02 2e7m s ALA 106 CO 0.27 -3.02 0.90 -0.98 0.00 0.00 0.00 175.76 172.93 2e7m s ARG 107 N 6.52 3.76 -0.65 0.00 1.70 -1.26 -5.01 118.95 124.01 2e7m s ARG 107 Ca 0.96 -2.89 -0.28 0.00 -0.47 0.00 0.00 55.73 53.06 2e7m s ARG 107 Cb -0.29 -4.39 -0.12 0.00 -0.57 0.00 0.00 34.95 29.59 2e7m s ARG 107 CO 0.33 -1.26 2.50 0.45 -1.08 0.00 0.00 175.30 176.25 2e7m n SER 108 N 3.20 1.67 0.00 -2.89 2.88 -1.26 -4.59 113.62 112.63 2e7m n SER 108 Ca 0.19 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2e7m n SER 108 Cb 0.42 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2e7m n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e7m n GLY 109 N 6.18 2.28 3.42 0.46 0.00 -1.26 -5.09 105.19 111.19 2e7m n GLY 109 Ca 0.46 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 2e7m n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7m n PRO 110 N -0.29 -3.12 0.07 1.61 -0.04 -1.26 -5.05 135.00 126.92 2e7m n PRO 110 Ca 0.00 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 2e7m n PRO 110 Cb 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 2e7m n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e7m n SER 111 N -4.84 0.78 -4.31 3.54 7.64 -1.26 -5.09 113.62 110.07 2e7m n SER 111 Ca 0.15 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.96 2e7m n SER 111 Cb 0.58 -0.15 0.22 0.00 -1.01 0.00 0.00 64.21 63.85 2e7m n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e7m s SER 112 N -5.73 1.39 0.00 6.43 0.15 -1.26 -5.31 113.70 109.37 2e7m s SER 112 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2e7m s SER 112 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2e7m s SER 112 CO 0.00 -3.88 0.00 0.61 1.20 0.00 0.00 173.24 171.17