#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a n SER 2 N 0.00 2.32 -3.93 1.61 7.64 -1.26 -5.00 113.62 115.00 1x5a n SER 2 Ca 0.00 0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.62 1x5a n SER 2 Cb 0.00 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1x5a n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5a n SER 3 N -3.10 0.08 -4.00 6.43 3.41 -1.26 -0.42 113.62 114.76 1x5a n SER 3 Ca -0.23 -1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 57.03 1x5a n SER 3 Cb 0.71 -1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1x5a n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 4 N -1.85 -0.52 3.60 5.00 0.00 -1.26 -4.91 105.19 105.24 1x5a n GLY 4 Ca -0.15 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1x5a n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5a s SER 5 N -3.90 -0.50 0.00 1.61 1.04 0.44 -5.07 113.70 107.32 1x5a s SER 5 Ca 0.30 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1x5a s SER 5 Cb -0.17 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1x5a s SER 5 CO 0.78 -0.31 0.00 -1.54 0.98 0.00 0.00 173.24 173.15 1x5a n SER 6 N 1.56 1.02 0.00 7.02 3.41 -1.26 -4.83 113.62 120.53 1x5a n SER 6 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1x5a n SER 6 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1x5a n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 7 N 2.36 4.05 3.42 5.00 0.00 -1.26 -4.91 105.19 113.86 1x5a n GLY 7 Ca 0.00 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a n ALA 8 N -1.63 -2.08 0.27 4.61 0.00 -1.26 -4.91 120.51 115.50 1x5a n ALA 8 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1x5a n ALA 8 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 1x5a n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x5a h GLU 9 N -0.78 -0.60 -6.31 0.00 4.39 -2.05 -3.38 114.58 105.84 1x5a h GLU 9 Ca -0.45 0.04 -0.54 0.00 0.34 0.00 0.00 59.36 58.76 1x5a h GLU 9 Cb 1.33 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 30.06 1x5a h GLU 9 CO 0.39 -0.39 1.16 0.45 -1.16 0.00 0.00 179.01 179.45 1x5a s SER 10 N -4.65 5.95 -0.62 1.42 0.15 -1.26 -4.91 113.70 109.77 1x5a s SER 10 Ca -0.16 0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.86 1x5a s SER 10 Cb 0.04 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 62.03 1x5a s SER 10 CO 0.63 -1.84 0.63 -0.11 1.20 0.00 0.00 173.24 173.75 1x5a n LEU 11 N 10.20 3.00 -3.63 3.45 7.94 -1.26 -4.87 117.00 131.83 1x5a n LEU 11 Ca 0.14 -5.25 -0.24 0.00 -1.11 0.00 0.00 56.01 49.55 1x5a n LEU 11 Cb 0.49 -0.51 -0.04 0.00 0.53 0.00 0.00 43.42 43.89 1x5a n LEU 11 CO 0.71 1.96 -0.09 -0.24 -1.11 0.00 0.00 177.39 178.62 1x5a n SER 12 N 1.32 -1.46 -3.95 1.96 2.88 -1.26 -1.30 113.62 111.81 1x5a n SER 12 Ca 0.26 -0.46 -0.38 0.00 -1.33 0.00 0.00 58.87 56.96 1x5a n SER 12 Cb 0.41 -1.33 0.02 0.00 -0.75 0.00 0.00 64.21 62.55 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 13 N -0.81 -1.01 2.87 0.46 0.00 -1.26 -4.82 105.19 100.62 1x5a n GLY 13 Ca 0.07 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 1x5a n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5a s LEU 14 N -6.56 1.52 -0.25 0.99 1.43 -0.42 -3.82 118.68 111.57 1x5a s LEU 14 Ca 0.33 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1x5a s LEU 14 Cb -0.18 0.10 0.12 0.00 0.03 0.00 0.00 46.19 46.26 1x5a s LEU 14 CO 0.94 -0.06 0.26 -0.94 0.23 0.00 0.00 176.35 176.78 1x5a s SER 15 N 0.44 1.54 -0.40 2.29 1.04 -1.26 -4.90 113.70 112.45 1x5a s SER 15 Ca -0.03 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.64 1x5a s SER 15 Cb -0.05 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1x5a s SER 15 CO -0.01 -0.36 1.67 -0.76 0.98 0.00 0.00 173.24 174.76 1x5a s LEU 16 N 2.35 3.49 -0.14 2.42 1.43 -1.26 -4.30 118.68 122.67 1x5a s LEU 16 Ca 0.09 0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1x5a s LEU 16 Cb -0.15 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 1x5a s LEU 16 CO -0.23 -1.72 -0.05 -0.75 0.23 0.00 0.00 176.35 173.83 1x5a s LYS 17 N 5.62 3.53 -0.55 1.70 2.20 -1.14 -5.00 119.74 126.11 1x5a s LYS 17 Ca 0.71 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 55.51 1x5a s LYS 17 Cb -0.18 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1x5a s LYS 17 CO 0.31 0.29 1.80 -1.17 -0.36 0.00 0.00 175.35 176.22 1x5a s LEU 18 N 0.21 3.35 -0.03 5.43 2.96 -1.26 -2.74 118.68 126.59 1x5a s LEU 18 Ca -0.03 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1x5a s LEU 18 Cb -0.14 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1x5a s LEU 18 CO 0.03 -2.17 0.37 0.58 -1.32 0.00 0.00 176.35 173.84 1x5a h VAL 19 N 6.82 0.00 -3.81 1.68 2.07 -1.72 -3.47 116.25 117.82 1x5a h VAL 19 Ca -0.28 -0.45 -0.48 0.00 0.82 0.00 0.00 66.70 66.32 1x5a h VAL 19 Cb 1.16 0.00 -0.31 0.00 -1.52 0.00 0.00 31.29 30.61 1x5a h VAL 19 CO 1.18 0.00 -0.81 -0.75 0.02 0.00 0.00 177.57 177.21 1x5a s LYS 20 N -2.29 1.28 -0.33 1.57 2.47 -0.99 -5.03 119.74 116.42 1x5a s LYS 20 Ca -0.03 -0.41 -0.06 0.00 -1.56 0.00 0.00 55.97 53.91 1x5a s LYS 20 Cb 0.00 -1.15 0.04 0.00 -1.46 0.00 0.00 37.83 35.26 1x5a s LYS 20 CO 0.10 0.15 0.10 0.21 0.16 0.00 0.00 175.35 176.06 1x5a s LYS 21 N 0.19 2.68 0.21 4.03 2.20 -1.26 -2.66 119.74 125.12 1x5a s LYS 21 Ca -0.04 -1.14 0.10 0.00 -0.36 0.00 0.00 55.97 54.53 1x5a s LYS 21 Cb -0.10 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1x5a s LYS 21 CO 0.01 -0.63 -0.20 -1.21 -0.36 0.00 0.00 175.35 172.96 1x5a s GLU 22 N 1.41 1.46 0.24 4.03 0.41 -1.10 -4.31 118.70 120.84 1x5a s GLU 22 Ca -0.01 -1.56 0.01 0.00 -0.41 0.00 0.00 54.97 52.99 1x5a s GLU 22 Cb -0.19 -1.58 0.27 0.00 -1.78 0.00 0.00 34.13 30.85 1x5a s GLU 22 CO 0.03 0.31 1.61 -1.00 -0.49 0.00 0.00 175.26 175.72 1x5a h PRO 23 N 2.88 0.45 0.00 0.39 0.13 -1.89 -2.87 132.00 131.08 1x5a h PRO 23 Ca -0.42 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.44 1x5a h PRO 23 Cb 1.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1x5a h PRO 23 CO 0.54 0.80 -0.57 0.54 -0.23 0.00 0.00 178.00 179.08 1x5a n ARG 24 N -4.01 1.31 -3.53 0.86 1.74 -1.26 -2.01 116.66 109.76 1x5a n ARG 24 Ca -0.02 -3.06 -0.09 0.00 -0.77 0.00 0.00 57.85 53.92 1x5a n ARG 24 Cb 0.52 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1x5a n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x5a s GLN 25 N -2.68 1.13 -0.22 5.56 0.74 -1.23 -3.85 119.66 119.11 1x5a s GLN 25 Ca 0.37 -0.47 -0.08 0.00 0.05 0.00 0.00 55.36 55.23 1x5a s GLN 25 Cb 0.37 0.48 0.10 0.00 1.10 0.00 0.00 33.01 35.06 1x5a s GLN 25 CO -0.08 -0.50 0.48 -0.51 -0.55 0.00 0.00 175.29 174.13 1x5a s LEU 26 N -2.68 -0.75 -0.11 3.68 1.43 -0.87 -2.72 118.68 116.66 1x5a s LEU 26 Ca 0.05 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1x5a s LEU 26 Cb -0.01 1.61 -0.00 0.00 0.03 0.00 0.00 46.19 47.81 1x5a s LEU 26 CO -0.08 -0.23 -0.21 -0.70 0.23 0.00 0.00 176.35 175.37 1x5a s GLU 27 N 2.60 3.14 0.21 1.70 2.12 -1.09 -1.34 118.70 126.03 1x5a s GLU 27 Ca -0.03 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.51 1x5a s GLU 27 Cb -0.12 -2.41 -0.05 0.00 0.26 0.00 0.00 34.13 31.81 1x5a s GLU 27 CO -0.14 0.16 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.18 1x5a s LEU 28 N 0.41 2.33 -0.16 2.70 1.43 -1.13 -1.89 118.68 122.37 1x5a s LEU 28 Ca -0.15 -1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 51.73 1x5a s LEU 28 Cb -0.17 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.78 1x5a s LEU 28 CO 0.07 -0.43 0.37 0.28 0.23 0.00 0.00 176.35 176.86 1x5a s THR 29 N -3.35 -0.17 -0.23 5.49 -1.32 -1.11 -2.94 115.64 112.02 1x5a s THR 29 Ca 0.25 0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.87 1x5a s THR 29 Cb 0.04 -0.56 0.06 0.00 -1.51 0.00 0.00 72.50 70.53 1x5a s THR 29 CO 0.06 0.06 -0.09 -1.66 -2.21 0.00 0.00 174.62 170.78 1x5a s TRP 30 N 1.67 2.70 -0.13 9.09 -2.14 -0.78 -2.88 118.94 126.47 1x5a s TRP 30 Ca -0.07 -1.91 -0.00 0.00 2.66 0.00 0.00 56.10 56.78 1x5a s TRP 30 Cb -0.10 -1.72 0.03 0.00 -3.10 0.00 0.00 33.47 28.58 1x5a s TRP 30 CO -0.12 -0.80 -0.08 0.00 -2.66 0.00 0.00 176.95 173.29 1x5a s ALA 31 N 1.29 1.46 0.17 2.67 0.00 -1.26 -4.76 121.76 121.34 1x5a s ALA 31 Ca -0.06 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1x5a s ALA 31 Cb -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1x5a s ALA 31 CO -0.06 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1x5a n GLY 32 N 4.90 -2.82 2.95 0.00 0.00 -1.25 -4.77 105.19 104.20 1x5a n GLY 32 Ca -0.13 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1x5a n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 33 N -1.83 4.78 0.05 1.61 0.15 -1.26 -5.05 113.70 112.14 1x5a s SER 33 Ca 0.00 -3.48 -0.18 0.00 0.70 0.00 0.00 55.95 52.99 1x5a s SER 33 Cb 0.00 -1.68 0.03 0.00 -1.71 0.00 0.00 66.02 62.67 1x5a s SER 33 CO 0.00 -0.16 0.40 -0.13 1.20 0.00 0.00 173.24 174.55 1x5a s ARG 34 N -0.95 0.92 0.48 5.44 0.52 -1.26 -5.16 118.95 118.94 1x5a s ARG 34 Ca 0.22 -0.38 -0.22 0.00 -0.52 0.00 0.00 55.73 54.83 1x5a s ARG 34 Cb -0.13 0.41 -0.07 0.00 0.52 0.00 0.00 34.95 35.67 1x5a s ARG 34 CO -0.09 -0.31 1.15 -1.25 0.02 0.00 0.00 175.30 174.81 1x5a s PRO 35 N -2.51 3.65 -0.80 3.54 0.04 -1.26 -4.94 135.00 132.72 1x5a s PRO 35 Ca -0.05 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1x5a s PRO 35 Cb -0.01 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1x5a s PRO 35 CO -0.03 -0.63 1.59 0.50 0.04 0.00 0.00 177.00 178.47 1x5a s ARG 36 N -2.86 3.01 -0.27 4.56 3.52 -1.26 -4.91 118.95 120.74 1x5a s ARG 36 Ca 0.66 -0.22 -0.14 0.00 -0.13 0.00 0.00 55.73 55.91 1x5a s ARG 36 Cb -0.27 -4.65 0.09 0.00 -1.56 0.00 0.00 34.95 28.56 1x5a s ARG 36 CO 0.32 -2.54 0.64 -0.80 -0.81 0.00 0.00 175.30 172.12 1x5a s ASN 37 N 5.94 -0.93 -0.45 -2.12 -0.87 -1.26 -5.12 114.94 110.12 1x5a s ASN 37 Ca 0.52 1.46 -0.28 0.00 -1.57 0.00 0.00 52.86 52.99 1x5a s ASN 37 Cb -0.07 1.57 -0.01 0.00 -0.02 0.00 0.00 41.25 42.71 1x5a s ASN 37 CO 0.08 -0.23 1.76 -2.16 -2.57 0.00 0.00 177.10 173.98 1x5a s PRO 38 N 1.98 3.09 0.08 -0.60 0.04 -1.26 -4.73 135.00 133.60 1x5a s PRO 38 Ca -0.09 1.03 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1x5a s PRO 38 Cb -0.07 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x5a s PRO 38 CO -0.19 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1x5a n GLY 39 N 5.48 -0.12 2.58 0.56 0.00 -1.26 -5.13 105.19 107.29 1x5a n GLY 39 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1x5a n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5a n GLY 40 N 2.36 1.59 2.90 -0.02 0.00 -1.26 -5.13 105.19 105.63 1x5a n GLY 40 Ca 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1x5a n GLY 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5a s ASN 41 N -3.47 0.24 0.17 1.61 2.47 -1.26 -5.16 114.94 109.55 1x5a s ASN 41 Ca 0.41 0.35 -0.06 0.00 0.42 0.00 0.00 52.86 53.98 1x5a s ASN 41 Cb -0.03 0.27 -0.02 0.00 -1.45 0.00 0.00 41.25 40.02 1x5a s ASN 41 CO 0.27 -0.19 0.23 -0.76 -3.72 0.00 0.00 177.10 172.92 1x5a s LEU 42 N 1.69 1.09 0.00 3.21 1.43 -1.26 -5.17 118.68 119.67 1x5a s LEU 42 Ca -0.04 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1x5a s LEU 42 Cb -0.12 0.93 0.02 0.00 0.03 0.00 0.00 46.19 47.05 1x5a s LEU 42 CO -0.06 -0.88 0.14 -1.20 0.23 0.00 0.00 176.35 174.58 1x5a n SER 43 N -0.22 2.39 -3.71 2.29 7.64 -1.26 -4.86 113.62 115.89 1x5a n SER 43 Ca -0.05 -2.23 -0.13 0.00 1.01 0.00 0.00 58.87 57.47 1x5a n SER 43 Cb 0.63 0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.82 1x5a n SER 43 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1x5a s TYR 44 N -1.83 -0.52 -0.27 1.43 2.02 -0.37 -2.83 117.35 114.98 1x5a s TYR 44 Ca 0.11 1.24 -0.11 0.00 -0.37 0.00 0.00 57.07 57.94 1x5a s TYR 44 Cb -0.01 0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 41.68 1x5a s TYR 44 CO 0.07 -0.27 0.19 -2.00 -1.57 0.00 0.00 175.55 171.97 1x5a s GLU 45 N 0.15 3.98 -0.16 -0.62 2.56 -0.14 -1.22 118.70 123.26 1x5a s GLU 45 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.97 54.63 1x5a s GLU 45 Cb -0.03 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 1x5a s GLU 45 CO 0.01 -0.13 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.40 1x5a s LEU 46 N 1.62 3.43 -0.20 2.70 1.98 -0.99 -2.05 118.68 125.17 1x5a s LEU 46 Ca 0.08 -0.05 -0.02 0.00 -2.89 0.00 0.00 54.13 51.25 1x5a s LEU 46 Cb -0.15 -1.83 0.06 0.00 0.66 0.00 0.00 46.19 44.92 1x5a s LEU 46 CO 0.10 0.19 0.01 -2.28 -1.89 0.00 0.00 176.35 172.47 1x5a s HIS 47 N 0.27 1.39 -0.12 5.38 5.65 -0.72 0.64 115.29 127.78 1x5a s HIS 47 Ca -0.01 -1.07 -0.06 0.00 0.25 0.00 0.00 55.06 54.17 1x5a s HIS 47 Cb -0.13 -1.17 -0.04 0.00 -1.18 0.00 0.00 32.58 30.05 1x5a s HIS 47 CO 0.02 -0.64 0.12 0.08 -0.65 0.00 0.00 174.74 173.67 1x5a s VAL 48 N 1.73 5.36 -0.09 0.89 1.01 0.17 -2.35 120.40 127.12 1x5a s VAL 48 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1x5a s VAL 48 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1x5a s VAL 48 CO -0.07 0.62 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1x5a s LEU 49 N -1.00 1.24 0.00 3.92 1.02 0.18 -0.72 118.68 123.33 1x5a s LEU 49 Ca 0.15 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.08 1x5a s LEU 49 Cb -0.12 -0.72 0.03 0.00 0.02 0.00 0.00 46.19 45.40 1x5a s LEU 49 CO 0.04 -0.08 0.27 -3.20 0.02 0.00 0.00 176.35 173.40 1x5a n ASN 50 N 4.55 2.48 -0.13 2.29 5.15 0.24 -1.30 115.26 128.54 1x5a n ASN 50 Ca -0.16 -2.51 -0.03 0.00 -0.60 0.00 0.00 54.58 51.27 1x5a n ASN 50 Cb 0.51 0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 1x5a n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x5a n GLN 51 N -1.43 -0.13 0.00 1.20 3.00 -1.26 -3.47 117.38 115.28 1x5a n GLN 51 Ca -0.04 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1x5a n GLN 51 Cb 0.49 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1x5a n ASP 52 N -3.64 0.79 -4.14 1.08 5.68 -1.26 -5.01 116.55 110.04 1x5a n ASP 52 Ca 0.01 -1.29 -0.33 0.00 -0.50 0.00 0.00 54.79 52.68 1x5a n ASP 52 Cb 0.08 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.91 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x5a s GLU 53 N -0.29 2.84 -0.15 0.11 0.41 -1.23 -5.10 118.70 115.29 1x5a s GLU 53 Ca 0.00 -0.95 0.01 0.00 -0.41 0.00 0.00 54.97 53.62 1x5a s GLU 53 Cb 0.00 -2.76 0.02 0.00 -1.78 0.00 0.00 34.13 29.61 1x5a s GLU 53 CO 0.00 -0.32 -0.18 -2.00 -0.49 0.00 0.00 175.26 172.27 1x5a s GLU 54 N 1.28 2.71 -0.01 1.61 -6.30 -1.26 0.81 118.70 117.53 1x5a s GLU 54 Ca 0.01 -0.73 0.01 0.00 -2.50 0.00 0.00 54.97 51.76 1x5a s GLU 54 Cb -0.15 -2.33 0.01 0.00 0.00 0.00 0.00 34.13 31.65 1x5a s GLU 54 CO -0.09 -0.16 -0.02 1.67 0.02 0.00 0.00 175.26 176.68 1x5a s TRP 55 N 1.22 0.27 0.11 5.30 -2.14 0.10 -4.99 118.94 118.82 1x5a s TRP 55 Ca 0.01 -0.04 0.09 0.00 2.66 0.00 0.00 56.10 58.82 1x5a s TRP 55 Cb -0.14 -0.23 -0.04 0.00 -3.10 0.00 0.00 33.47 29.97 1x5a s TRP 55 CO -0.09 -0.04 -0.18 -3.38 -2.66 0.00 0.00 176.95 170.61 1x5a s HIS 56 N 0.20 2.54 -0.11 1.66 -3.43 -1.26 -0.66 115.29 114.23 1x5a s HIS 56 Ca -0.02 -0.26 -0.04 0.00 -0.80 0.00 0.00 55.06 53.94 1x5a s HIS 56 Cb -0.04 -1.35 0.06 0.00 -1.43 0.00 0.00 32.58 29.81 1x5a s HIS 56 CO -0.01 0.38 0.23 1.14 -2.00 0.00 0.00 174.74 174.49 1x5a s GLN 57 N -2.12 0.12 -0.24 -0.38 -2.07 0.21 -4.96 119.66 110.21 1x5a s GLN 57 Ca 0.18 0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 54.11 1x5a s GLN 57 Cb -0.11 -0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 31.70 1x5a s GLN 57 CO 0.10 -0.28 1.29 1.41 -1.32 0.00 0.00 175.29 176.49 1x5a s MET 58 N 2.27 4.05 0.13 9.60 -2.45 -1.26 -2.35 119.30 129.28 1x5a s MET 58 Ca 0.01 1.42 0.07 0.00 -1.25 0.00 0.00 55.69 55.93 1x5a s MET 58 Cb -0.12 -3.83 -0.04 0.00 1.25 0.00 0.00 34.83 32.09 1x5a s MET 58 CO -0.08 -0.95 -0.04 0.14 1.05 0.00 0.00 175.02 175.14 1x5a s VAL 59 N 4.02 3.66 -0.08 10.11 -7.23 -0.36 -4.93 120.40 125.59 1x5a s VAL 59 Ca 0.56 -1.26 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1x5a s VAL 59 Cb -0.19 -2.77 -0.24 0.00 0.56 0.00 0.00 36.38 33.74 1x5a s VAL 59 CO 0.19 0.03 0.52 0.18 -0.31 0.00 0.00 175.10 175.71 1x5a n LEU 60 N 0.36 1.60 -4.90 1.32 4.77 -1.26 -1.23 117.00 117.66 1x5a n LEU 60 Ca -0.11 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1x5a n LEU 60 Cb 0.53 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1x5a n LEU 60 CO 0.37 0.59 0.14 -1.83 -1.33 0.00 0.00 177.39 175.32 1x5a s GLU 61 N -2.58 3.66 0.00 3.23 -1.05 -1.26 -4.58 118.70 116.13 1x5a s GLU 61 Ca -0.12 0.02 0.11 0.00 -0.15 0.00 0.00 54.97 54.82 1x5a s GLU 61 Cb 0.07 -2.72 0.63 0.00 -0.44 0.00 0.00 34.13 31.67 1x5a s GLU 61 CO 0.80 0.33 1.07 -0.35 0.95 0.00 0.00 175.26 178.06 1x5a n PRO 62 N -0.39 0.49 -4.08 -4.83 -0.04 -1.26 -4.55 135.00 120.33 1x5a n PRO 62 Ca -0.02 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 1x5a n PRO 62 Cb 0.53 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.49 1x5a n PRO 62 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x5a s ARG 63 N -2.00 3.01 -0.13 0.54 1.70 -1.26 -1.86 118.95 118.94 1x5a s ARG 63 Ca 0.16 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1x5a s ARG 63 Cb 0.07 -2.67 -0.02 0.00 -0.57 0.00 0.00 34.95 31.76 1x5a s ARG 63 CO 0.12 -0.23 -0.11 0.54 -1.08 0.00 0.00 175.30 174.54 1x5a s VAL 64 N 1.31 3.23 -0.32 4.99 0.11 -1.15 -4.99 120.40 123.58 1x5a s VAL 64 Ca 0.04 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1x5a s VAL 64 Cb -0.14 -2.36 0.05 0.00 -1.53 0.00 0.00 36.38 32.39 1x5a s VAL 64 CO -0.11 0.52 0.06 -0.22 -3.33 0.00 0.00 175.10 172.03 1x5a s LEU 65 N 0.27 4.17 -0.00 2.54 1.98 -1.26 -2.84 118.68 123.54 1x5a s LEU 65 Ca -0.08 -1.22 -0.10 0.00 -2.89 0.00 0.00 54.13 49.84 1x5a s LEU 65 Cb -0.15 -1.80 -0.05 0.00 0.66 0.00 0.00 46.19 44.84 1x5a s LEU 65 CO 0.05 -0.31 0.32 -0.76 -1.89 0.00 0.00 176.35 173.76 1x5a s LEU 66 N 1.33 4.40 0.00 -0.68 1.43 -0.45 -4.97 118.68 119.74 1x5a s LEU 66 Ca -0.03 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1x5a s LEU 66 Cb -0.20 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1x5a s LEU 66 CO 0.01 0.29 0.10 0.35 0.23 0.00 0.00 176.35 177.33 1x5a n THR 67 N 1.46 0.00 -3.95 5.49 -2.24 -1.26 -2.05 114.28 111.73 1x5a n THR 67 Ca -0.13 -1.48 -0.29 0.00 -2.27 0.00 0.00 64.05 59.88 1x5a n THR 67 Cb 0.53 0.56 0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1x5a n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5a n LYS 68 N -0.55 -4.47 -3.32 -0.78 5.02 -1.25 -4.94 118.16 107.87 1x5a n LYS 68 Ca -0.03 0.52 -0.20 0.00 -2.02 0.00 0.00 58.31 56.58 1x5a n LYS 68 Cb 0.38 -5.15 0.01 0.00 -0.02 0.00 0.00 35.03 30.24 1x5a n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x5a s LEU 69 N -7.10 3.28 -0.03 -0.35 1.43 -1.26 -5.07 118.68 109.58 1x5a s LEU 69 Ca 0.42 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1x5a s LEU 69 Cb -0.22 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1x5a s LEU 69 CO 0.86 -0.94 0.01 -1.10 0.23 0.00 0.00 176.35 175.41 1x5a s GLN 70 N -4.36 2.87 0.62 1.70 -1.52 -1.26 -4.57 119.66 113.13 1x5a s GLN 70 Ca 0.51 -0.54 -0.17 0.00 -1.95 0.00 0.00 55.36 53.22 1x5a s GLN 70 Cb -0.06 -2.72 -0.02 0.00 -0.22 0.00 0.00 33.01 29.99 1x5a s GLN 70 CO 0.31 0.65 1.12 -1.25 -0.25 0.00 0.00 175.29 175.87 1x5a s PRO 71 N -1.35 3.01 -1.31 2.91 0.04 -0.85 -3.79 135.00 133.66 1x5a s PRO 71 Ca 0.18 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1x5a s PRO 71 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1x5a s PRO 71 CO 0.08 -1.10 0.53 -3.47 0.04 0.00 0.00 177.00 173.09 1x5a n ASP 72 N -2.00 -2.19 -3.80 6.66 2.03 -1.12 -4.89 116.55 111.24 1x5a n ASP 72 Ca 0.11 -1.06 -0.14 0.00 0.52 0.00 0.00 54.79 54.22 1x5a n ASP 72 Cb 0.52 -2.90 -0.15 0.00 -0.72 0.00 0.00 41.12 37.87 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5a s THR 73 N -3.79 -0.04 0.01 5.18 2.01 -1.25 -4.97 115.64 112.80 1x5a s THR 73 Ca 0.20 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1x5a s THR 73 Cb -0.08 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1x5a s THR 73 CO 0.90 0.05 1.13 -0.89 -0.69 0.00 0.00 174.62 175.13 1x5a s THR 74 N 0.70 4.34 -0.20 -0.82 2.01 -1.26 -3.09 115.64 117.32 1x5a s THR 74 Ca -0.06 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.62 1x5a s THR 74 Cb -0.08 -4.07 0.05 0.00 0.01 0.00 0.00 72.50 68.40 1x5a s THR 74 CO -0.02 0.09 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.62 1x5a s TYR 75 N 1.37 2.20 0.07 4.92 2.02 -1.12 -4.48 117.35 122.34 1x5a s TYR 75 Ca 0.56 -1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 55.47 1x5a s TYR 75 Cb -0.26 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 1x5a s TYR 75 CO 0.27 -0.72 0.95 0.42 -1.57 0.00 0.00 175.55 174.90 1x5a s ILE 76 N 1.47 4.64 -0.01 2.71 -1.09 -0.42 -3.92 121.20 124.58 1x5a s ILE 76 Ca -0.02 2.03 0.04 0.00 -2.23 0.00 0.00 60.65 60.47 1x5a s ILE 76 Cb -0.17 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.40 1x5a s ILE 76 CO -0.07 0.27 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.10 1x5a s VAL 77 N 0.32 0.89 -0.13 2.92 1.01 -1.25 -0.65 120.40 123.52 1x5a s VAL 77 Ca 0.48 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1x5a s VAL 77 Cb -0.22 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.47 1x5a s VAL 77 CO 0.29 0.24 0.26 0.00 0.00 0.00 0.00 175.10 175.89 1x5a s ARG 78 N -0.30 0.16 0.20 2.72 1.70 -0.99 -3.59 118.95 118.85 1x5a s ARG 78 Ca 0.04 0.73 0.09 0.00 -0.47 0.00 0.00 55.73 56.13 1x5a s ARG 78 Cb -0.04 -0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.26 1x5a s ARG 78 CO -0.00 -0.27 -0.09 0.54 -1.08 0.00 0.00 175.30 174.39 1x5a s VAL 79 N 2.30 3.15 -0.08 4.99 0.11 -1.26 -1.76 120.40 127.86 1x5a s VAL 79 Ca 0.00 -1.77 -0.15 0.00 -2.93 0.00 0.00 61.98 57.13 1x5a s VAL 79 Cb -0.12 -2.59 0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1x5a s VAL 79 CO -0.09 -0.18 0.36 0.00 -3.33 0.00 0.00 175.10 171.87 1x5a s ARG 80 N -3.02 0.58 0.36 1.54 1.04 -0.87 -3.18 118.95 115.41 1x5a s ARG 80 Ca 0.26 0.16 -0.25 0.00 -1.04 0.00 0.00 55.73 54.87 1x5a s ARG 80 Cb -0.08 0.27 -0.10 0.00 -2.04 0.00 0.00 34.95 33.00 1x5a s ARG 80 CO 0.16 -0.13 0.97 0.99 -0.04 0.00 0.00 175.30 177.25 1x5a s THR 81 N -0.61 4.12 -0.06 4.99 2.01 -1.26 -0.96 115.64 123.87 1x5a s THR 81 Ca -0.07 1.64 -0.11 0.00 0.31 0.00 0.00 61.69 63.46 1x5a s THR 81 Cb -0.04 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1x5a s THR 81 CO 0.03 0.02 0.29 -0.76 -0.69 0.00 0.00 174.62 173.51 1x5a s LEU 82 N -2.40 4.43 0.06 4.42 2.01 -1.13 -3.12 118.68 122.95 1x5a s LEU 82 Ca 0.54 0.73 0.03 0.00 0.01 0.00 0.00 54.13 55.44 1x5a s LEU 82 Cb -0.18 -2.35 -0.03 0.00 0.01 0.00 0.00 46.19 43.64 1x5a s LEU 82 CO 0.23 0.35 -0.09 0.42 1.01 0.00 0.00 176.35 178.26 1x5a s THR 83 N -0.98 0.74 0.19 5.49 -4.23 -1.26 -4.66 115.64 110.93 1x5a s THR 83 Ca 0.20 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1x5a s THR 83 Cb -0.14 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1x5a s THR 83 CO 0.09 -0.43 1.55 1.55 -0.54 0.00 0.00 174.62 176.84 1x5a h PRO 84 N 4.15 0.68 -3.49 3.99 0.13 -2.01 -3.38 132.00 132.06 1x5a h PRO 84 Ca -0.37 -0.36 -0.63 0.00 -0.87 0.00 0.00 66.00 63.78 1x5a h PRO 84 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.45 0.97 -0.70 -0.48 -0.23 0.00 0.00 178.00 178.00 1x5a s LEU 85 N -8.62 3.53 0.00 1.56 0.05 -1.26 -4.93 118.68 109.01 1x5a s LEU 85 Ca -0.09 -2.54 0.00 0.00 0.05 0.00 0.00 54.13 51.55 1x5a s LEU 85 Cb 0.12 -1.32 0.00 0.00 -2.05 0.00 0.00 46.19 42.94 1x5a s LEU 85 CO 0.84 -0.29 0.00 0.61 -0.55 0.00 0.00 176.35 176.96 1x5a n GLY 86 N 3.70 -2.77 3.77 -3.48 0.00 -1.26 -5.03 105.19 100.12 1x5a n GLY 86 Ca 0.05 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1x5a n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 87 N -0.01 3.13 0.80 1.61 0.04 -1.26 -4.71 135.00 134.60 1x5a s PRO 87 Ca 0.00 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1x5a s PRO 87 Cb 0.00 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1x5a s PRO 87 CO 0.00 -1.01 1.11 0.20 0.04 0.00 0.00 177.00 177.33 1x5a s GLY 88 N -2.10 1.70 0.94 0.56 0.00 -1.18 -4.95 107.32 102.28 1x5a s GLY 88 Ca 0.70 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 1x5a s GLY 88 CO 0.33 0.72 1.09 2.56 0.00 0.00 0.00 173.10 177.80 1x5a s PRO 89 N -4.81 0.92 -0.14 2.90 0.04 -1.26 -4.76 135.00 127.89 1x5a s PRO 89 Ca 0.63 0.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 1x5a s PRO 89 Cb -0.19 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1x5a s PRO 89 CO 0.56 -2.44 0.75 -0.06 0.04 0.00 0.00 177.00 175.85 1x5a s PHE 90 N -2.95 3.46 0.68 0.56 0.08 -1.26 -4.68 117.98 113.87 1x5a s PHE 90 Ca 0.64 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.70 1x5a s PHE 90 Cb -0.18 -2.90 -0.07 0.00 -0.57 0.00 0.00 43.02 39.29 1x5a s PHE 90 CO 0.57 -0.12 0.31 -1.13 -0.10 0.00 0.00 175.22 174.75 1x5a n SER 91 N 4.73 -1.96 -4.75 1.36 3.41 -1.19 -4.89 113.62 110.34 1x5a n SER 91 Ca 0.01 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.81 1x5a n SER 91 Cb 0.50 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1x5a n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5a s PRO 92 N -2.30 4.42 -0.43 4.33 0.04 -1.26 -4.79 135.00 135.01 1x5a s PRO 92 Ca 0.63 2.05 -0.46 0.00 0.04 0.00 0.00 61.00 63.26 1x5a s PRO 92 Cb -0.38 -3.16 -0.20 0.00 0.04 0.00 0.00 34.50 30.81 1x5a s PRO 92 CO 0.61 -0.15 1.55 -0.25 0.04 0.00 0.00 177.00 178.80 1x5a n ASP 93 N 1.85 1.16 -4.35 6.66 8.00 -1.26 -4.89 116.55 123.72 1x5a n ASP 93 Ca 0.03 1.18 -0.41 0.00 0.71 0.00 0.00 54.79 56.30 1x5a n ASP 93 Cb 0.43 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1x5a s HIS 94 N 2.72 3.27 -0.42 1.24 3.76 -1.24 -5.00 115.29 119.63 1x5a s HIS 94 Ca 1.03 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 1x5a s HIS 94 Cb -1.45 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.45 1x5a s HIS 94 CO 0.78 -0.74 1.77 -2.00 -0.85 0.00 0.00 174.74 173.70 1x5a s GLU 95 N 1.54 3.16 0.32 1.40 2.12 -1.26 -3.77 118.70 122.21 1x5a s GLU 95 Ca 0.03 1.13 0.10 0.00 0.36 0.00 0.00 54.97 56.59 1x5a s GLU 95 Cb -0.22 -4.23 -0.05 0.00 0.26 0.00 0.00 34.13 29.89 1x5a s GLU 95 CO 0.05 -2.07 -0.07 -0.06 -0.54 0.00 0.00 175.26 172.57 1x5a s PHE 96 N 7.35 2.46 -0.02 5.30 0.08 -1.25 -5.04 117.98 126.86 1x5a s PHE 96 Ca 0.74 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.40 1x5a s PHE 96 Cb -0.18 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1x5a s PHE 96 CO 0.30 0.58 -0.03 0.50 -0.10 0.00 0.00 175.22 176.47 1x5a s ARG 97 N -3.63 0.48 0.46 0.44 3.52 -1.26 -2.78 118.95 116.18 1x5a s ARG 97 Ca 0.33 -0.06 -0.13 0.00 -0.13 0.00 0.00 55.73 55.73 1x5a s ARG 97 Cb -0.01 -0.55 -0.07 0.00 -1.56 0.00 0.00 34.95 32.76 1x5a s ARG 97 CO 0.18 -0.04 0.88 0.95 -0.81 0.00 0.00 175.30 176.45 1x5a s THR 98 N 0.61 4.66 0.39 4.11 -4.23 -1.18 -4.90 115.64 115.10 1x5a s THR 98 Ca -0.07 0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 61.11 1x5a s THR 98 Cb -0.10 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 69.89 1x5a s THR 98 CO -0.01 -0.61 0.92 -0.24 -0.54 0.00 0.00 174.62 174.15 1x5a n SER 99 N -1.45 0.87 -4.77 3.99 2.88 -1.09 -3.95 113.62 110.09 1x5a n SER 99 Ca 0.04 1.05 -0.37 0.00 -1.33 0.00 0.00 58.87 58.27 1x5a n SER 99 Cb 0.54 -1.29 -0.01 0.00 -0.75 0.00 0.00 64.21 62.70 1x5a n SER 99 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x5a s PRO 100 N -1.82 3.66 0.32 -1.46 0.04 -1.26 -2.80 135.00 131.67 1x5a s PRO 100 Ca 0.62 1.74 0.26 0.00 0.04 0.00 0.00 61.00 63.66 1x5a s PRO 100 Cb -0.60 -2.31 1.08 0.00 0.04 0.00 0.00 34.50 32.71 1x5a s PRO 100 CO 0.58 -0.63 1.77 -1.00 0.04 0.00 0.00 177.00 177.76 1x5a h PRO 101 N 1.84 0.00 0.00 0.56 0.13 -1.91 -3.37 132.00 129.24 1x5a h PRO 101 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x5a h PRO 101 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x5a h PRO 101 CO 0.59 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.81 1x5a n SER 102 N -2.42 0.83 -3.36 1.44 2.88 -1.26 -5.08 113.62 106.64 1x5a n SER 102 Ca 0.02 0.16 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 1x5a n SER 102 Cb 0.24 -0.21 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 103 N 3.26 -3.25 3.70 0.46 0.00 -1.26 -4.90 105.19 103.21 1x5a n GLY 103 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1x5a n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 104 N -1.24 0.99 0.24 1.61 0.04 -1.26 -4.72 135.00 130.66 1x5a s PRO 104 Ca 0.39 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1x5a s PRO 104 Cb -0.27 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1x5a s PRO 104 CO 0.61 -2.40 0.75 -1.54 0.04 0.00 0.00 177.00 174.46 1x5a s SER 105 N -3.43 7.06 -0.23 6.66 1.04 -1.26 -4.85 113.70 118.69 1x5a s SER 105 Ca 0.64 1.45 -0.29 0.00 0.48 0.00 0.00 55.95 58.24 1x5a s SER 105 Cb -0.18 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1x5a s SER 105 CO 0.57 0.00 1.79 -0.44 0.98 0.00 0.00 173.24 176.14 1x5a s SER 106 N -1.70 6.10 0.00 7.02 0.01 -1.26 -5.22 113.70 118.65 1x5a s SER 106 Ca 0.45 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1x5a s SER 106 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1x5a s SER 106 CO 0.21 -1.49 0.00 0.61 0.41 0.00 0.00 173.24 172.98