#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 3.20 -4.60 1.61 7.64 -1.26 -5.05 113.62 115.16 1x5a n SER 2 Ca 0.00 -2.95 -0.43 0.00 1.01 0.00 0.00 58.87 56.50 1x5a n SER 2 Cb 0.00 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 1x5a n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5a s SER 3 N -3.62 6.66 0.00 6.43 0.01 -1.26 -4.76 113.70 117.15 1x5a s SER 3 Ca 0.39 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x5a s SER 3 Cb 0.38 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1x5a s SER 3 CO -0.02 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.04 1x5a n GLY 4 N 4.75 1.11 3.24 3.44 0.00 -1.26 -5.13 105.19 111.34 1x5a n GLY 4 Ca 0.12 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 5 N 0.00 5.30 0.18 1.61 0.15 -1.26 -5.06 113.70 114.62 1x5a s SER 5 Ca 0.00 -1.36 -0.23 0.00 0.70 0.00 0.00 55.95 55.06 1x5a s SER 5 Cb 0.00 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.51 1x5a s SER 5 CO 0.00 -0.39 0.64 -0.94 1.20 0.00 0.00 173.24 173.75 1x5a s SER 6 N 1.58 -0.50 1.34 5.45 1.04 -1.26 -5.11 113.70 116.24 1x5a s SER 6 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1x5a s SER 6 Cb -0.21 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x5a s SER 6 CO 0.01 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1x5a n GLY 7 N -0.39 1.84 3.09 7.32 0.00 -1.26 -4.72 105.19 111.07 1x5a n GLY 7 Ca -0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a s ALA 8 N -1.91 -0.69 -1.01 4.61 0.00 -1.26 -5.09 121.76 116.41 1x5a s ALA 8 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1x5a s ALA 8 Cb 0.00 -0.84 0.25 0.00 0.00 0.00 0.00 23.12 22.53 1x5a s ALA 8 CO 0.00 -0.37 0.95 -2.00 0.00 0.00 0.00 175.76 174.34 1x5a s GLU 9 N 1.71 3.76 -1.08 0.00 2.12 -1.26 -4.97 118.70 118.98 1x5a s GLU 9 Ca -0.06 -3.26 -0.10 0.00 0.36 0.00 0.00 54.97 51.91 1x5a s GLU 9 Cb -0.11 -4.26 0.27 0.00 0.26 0.00 0.00 34.13 30.29 1x5a s GLU 9 CO -0.10 -1.25 1.07 -1.54 -0.54 0.00 0.00 175.26 172.90 1x5a s SER 10 N 0.59 7.25 -0.37 -1.70 1.04 -1.26 -4.90 113.70 114.35 1x5a s SER 10 Ca 0.29 -3.51 -0.04 0.00 0.48 0.00 0.00 55.95 53.18 1x5a s SER 10 Cb -0.09 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.86 1x5a s SER 10 CO -0.10 -0.32 2.82 -0.11 0.98 0.00 0.00 173.24 176.52 1x5a n LEU 11 N 2.83 6.29 -3.71 2.42 7.94 -1.26 -4.77 117.00 126.73 1x5a n LEU 11 Ca 0.23 -3.86 -0.28 0.00 -1.11 0.00 0.00 56.01 50.99 1x5a n LEU 11 Cb 0.40 -1.24 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 1x5a n LEU 11 CO 0.45 1.68 -0.10 -1.20 -1.11 0.00 0.00 177.39 177.11 1x5a n SER 12 N 1.06 -1.44 -3.43 1.96 7.64 -1.26 -1.80 113.62 116.35 1x5a n SER 12 Ca 0.46 -0.69 -0.25 0.00 1.01 0.00 0.00 58.87 59.40 1x5a n SER 12 Cb 0.61 -1.29 0.02 0.00 -1.01 0.00 0.00 64.21 62.53 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5a n GLY 13 N -0.85 -0.69 3.19 0.23 0.00 -1.26 -4.82 105.19 100.99 1x5a n GLY 13 Ca 0.08 0.94 -0.12 0.00 0.00 0.00 0.00 46.02 46.91 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 -3.42 1.15 -0.30 0.99 1.43 -0.75 -3.64 118.68 114.15 1x5a s LEU 14 Ca 0.20 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1x5a s LEU 14 Cb -0.03 1.03 0.18 0.00 0.03 0.00 0.00 46.19 47.40 1x5a s LEU 14 CO 0.85 -0.43 1.02 -0.94 0.23 0.00 0.00 176.35 177.07 1x5a s SER 15 N -1.43 -0.53 0.41 2.29 1.04 -1.26 -4.97 113.70 109.25 1x5a s SER 15 Ca -0.13 0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.53 1x5a s SER 15 Cb -0.06 1.50 -0.08 0.00 0.10 0.00 0.00 66.02 67.48 1x5a s SER 15 CO 0.03 -0.10 1.12 -0.76 0.98 0.00 0.00 173.24 174.50 1x5a s LEU 16 N 2.72 4.14 0.04 2.42 1.43 -1.26 -4.14 118.68 124.03 1x5a s LEU 16 Ca 0.00 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1x5a s LEU 16 Cb -0.09 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1x5a s LEU 16 CO -0.14 -0.64 -0.03 -1.59 0.23 0.00 0.00 176.35 174.18 1x5a s LYS 17 N -2.43 0.51 -0.42 1.70 -2.85 -1.18 -4.97 119.74 110.10 1x5a s LYS 17 Ca 0.58 -1.02 -0.20 0.00 -1.00 0.00 0.00 55.97 54.34 1x5a s LYS 17 Cb -0.27 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1x5a s LYS 17 CO 0.33 -0.09 0.60 -1.17 0.10 0.00 0.00 175.35 175.13 1x5a s LEU 18 N -2.44 4.53 -0.21 2.77 2.96 -1.26 -3.30 118.68 121.73 1x5a s LEU 18 Ca -0.01 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 1x5a s LEU 18 Cb 0.02 -2.67 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1x5a s LEU 18 CO -0.07 -0.72 -0.27 0.52 -1.32 0.00 0.00 176.35 174.50 1x5a n VAL 19 N 5.74 1.16 -4.03 1.68 0.31 -0.24 -4.91 118.33 118.04 1x5a n VAL 19 Ca -0.03 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.69 1x5a n VAL 19 Cb 0.48 -1.75 -0.15 0.00 -0.91 0.00 0.00 33.84 31.51 1x5a n VAL 19 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1x5a s LYS 20 N -2.39 1.73 -0.92 5.55 2.20 -0.30 -4.95 119.74 120.67 1x5a s LYS 20 Ca -0.29 -1.67 -0.13 0.00 -0.36 0.00 0.00 55.97 53.51 1x5a s LYS 20 Cb 0.11 -3.07 0.23 0.00 -1.51 0.00 0.00 37.83 33.59 1x5a s LYS 20 CO 0.38 -0.81 0.89 0.21 -0.36 0.00 0.00 175.35 175.66 1x5a s LYS 21 N 0.99 3.77 0.28 4.03 2.20 -1.26 -1.52 119.74 128.22 1x5a s LYS 21 Ca 0.04 -2.62 0.08 0.00 -0.36 0.00 0.00 55.97 53.10 1x5a s LYS 21 Cb -0.19 -4.51 -0.04 0.00 -1.51 0.00 0.00 37.83 31.58 1x5a s LYS 21 CO -0.07 -1.32 0.16 -1.21 -0.36 0.00 0.00 175.35 172.55 1x5a s GLU 22 N -0.02 2.71 0.31 4.03 2.02 -0.25 -4.12 118.70 123.37 1x5a s GLU 22 Ca 0.23 -1.21 0.10 0.00 0.02 0.00 0.00 54.97 54.10 1x5a s GLU 22 Cb -0.10 -2.43 0.50 0.00 0.10 0.00 0.00 34.13 32.21 1x5a s GLU 22 CO -0.09 0.32 1.71 -1.00 0.02 0.00 0.00 175.26 176.22 1x5a h PRO 23 N 1.54 0.07 0.00 0.39 0.13 -1.90 -2.77 132.00 129.46 1x5a h PRO 23 Ca -0.47 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1x5a h PRO 23 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1x5a h PRO 23 CO 0.60 0.54 -0.43 0.54 -0.23 0.00 0.00 178.00 179.02 1x5a n ARG 24 N -3.97 0.79 -3.54 0.86 1.74 -1.26 -1.44 116.66 109.83 1x5a n ARG 24 Ca -0.02 -2.23 -0.17 0.00 -0.77 0.00 0.00 57.85 54.67 1x5a n ARG 24 Cb 0.51 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.70 0.98 -0.09 5.56 0.74 -1.23 -3.05 119.66 120.88 1x5a s GLN 25 Ca 0.25 0.36 -0.04 0.00 0.05 0.00 0.00 55.36 55.99 1x5a s GLN 25 Cb 0.25 0.46 0.04 0.00 1.10 0.00 0.00 33.01 34.86 1x5a s GLN 25 CO -0.04 -0.28 0.19 -0.51 -0.55 0.00 0.00 175.29 174.10 1x5a s LEU 26 N -0.93 0.48 -0.11 3.68 1.43 0.53 -1.09 118.68 122.67 1x5a s LEU 26 Ca -0.08 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1x5a s LEU 26 Cb -0.01 0.51 0.01 0.00 0.03 0.00 0.00 46.19 46.74 1x5a s LEU 26 CO 0.08 -0.17 -0.17 -0.70 0.23 0.00 0.00 176.35 175.62 1x5a s GLU 27 N 1.37 2.37 0.27 1.70 2.12 -0.57 -0.25 118.70 125.70 1x5a s GLU 27 Ca -0.08 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1x5a s GLU 27 Cb -0.11 -1.96 -0.06 0.00 0.26 0.00 0.00 34.13 32.26 1x5a s GLU 27 CO -0.07 -0.02 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.09 1x5a s LEU 28 N 0.86 2.37 -0.14 2.70 1.43 -1.10 -1.07 118.68 123.72 1x5a s LEU 28 Ca -0.09 -1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 1x5a s LEU 28 Cb -0.15 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1x5a s LEU 28 CO 0.00 -0.42 0.37 0.28 0.23 0.00 0.00 176.35 176.82 1x5a s THR 29 N -3.17 -0.01 -0.25 5.49 -1.32 -1.21 -2.75 115.64 112.43 1x5a s THR 29 Ca 0.29 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1x5a s THR 29 Cb 0.05 -0.53 0.07 0.00 -1.51 0.00 0.00 72.50 70.58 1x5a s THR 29 CO 0.11 0.01 -0.01 -1.66 -2.21 0.00 0.00 174.62 170.86 1x5a s TRP 30 N 0.41 2.14 -0.43 9.09 -2.14 -0.70 -3.07 118.94 124.23 1x5a s TRP 30 Ca -0.02 -1.68 0.03 0.00 2.66 0.00 0.00 56.10 57.10 1x5a s TRP 30 Cb -0.04 -1.59 0.12 0.00 -3.10 0.00 0.00 33.47 28.85 1x5a s TRP 30 CO -0.02 -0.77 0.16 0.00 -2.66 0.00 0.00 176.95 173.67 1x5a s ALA 31 N 1.48 3.12 -0.48 2.67 0.00 -1.26 -4.83 121.76 122.45 1x5a s ALA 31 Ca -0.02 -2.87 0.03 0.00 0.00 0.00 0.00 51.96 49.10 1x5a s ALA 31 Cb -0.18 -2.11 0.14 0.00 0.00 0.00 0.00 23.12 20.96 1x5a s ALA 31 CO -0.09 -1.85 0.28 0.20 0.00 0.00 0.00 175.76 174.29 1x5a s GLY 32 N 0.48 1.90 -0.28 0.00 0.00 -1.24 -4.94 107.32 103.24 1x5a s GLY 32 Ca 0.13 -2.83 -0.00 0.00 0.00 0.00 0.00 44.72 42.02 1x5a s GLY 32 CO -0.04 1.45 0.06 -1.35 0.00 0.00 0.00 173.10 173.22 1x5a s SER 33 N 0.04 3.90 -0.04 1.64 1.04 -1.26 -4.46 113.70 114.55 1x5a s SER 33 Ca 0.19 -1.49 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 1x5a s SER 33 Cb -0.20 -0.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.91 1x5a s SER 33 CO -0.03 -0.37 0.56 0.03 0.98 0.00 0.00 173.24 174.41 1x5a h ARG 34 N 8.05 -0.45 0.00 4.02 3.08 -1.96 -3.46 114.38 123.65 1x5a h ARG 34 Ca -0.14 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1x5a h ARG 34 Cb 1.04 0.10 0.05 0.00 0.08 0.00 0.00 29.97 31.24 1x5a h ARG 34 CO 0.45 -0.30 0.03 -0.35 -1.07 0.00 0.00 179.97 178.72 1x5a n PRO 35 N -4.91 -1.56 -0.11 0.04 -0.04 -1.26 -5.02 135.00 122.14 1x5a n PRO 35 Ca -0.06 -0.44 0.01 0.00 -0.04 0.00 0.00 63.50 62.97 1x5a n PRO 35 Cb 0.19 -0.41 0.02 0.00 -0.04 0.00 0.00 33.50 33.25 1x5a n PRO 35 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5a n ARG 36 N -2.35 1.02 -1.53 0.54 -4.01 -1.26 -5.09 116.66 103.98 1x5a n ARG 36 Ca 0.04 -1.17 -0.53 0.00 -1.04 0.00 0.00 57.85 55.15 1x5a n ARG 36 Cb 0.15 -0.78 -0.06 0.00 -3.04 0.00 0.00 32.46 28.73 1x5a n ARG 36 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1x5a n ASN 37 N -0.34 0.55 -3.46 2.89 2.85 -1.26 -4.94 115.26 111.55 1x5a n ASN 37 Ca 0.02 1.14 -0.27 0.00 -0.11 0.00 0.00 54.58 55.36 1x5a n ASN 37 Cb 0.49 -1.06 0.23 0.00 1.24 0.00 0.00 39.78 40.68 1x5a n ASN 37 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1x5a n PRO 38 N 1.72 -2.97 -1.88 1.20 -0.04 -1.26 -4.89 135.00 126.87 1x5a n PRO 38 Ca 0.18 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1x5a n PRO 38 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1x5a n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5a n GLY 39 N -4.14 -5.09 2.58 0.55 0.00 -1.26 -4.94 105.19 92.89 1x5a n GLY 39 Ca 0.14 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 0.64 4.66 3.33 -0.02 0.00 -1.26 -4.99 105.19 107.54 1x5a n GLY 40 Ca 0.00 -2.32 -0.44 0.00 0.00 0.00 0.00 46.02 43.26 1x5a n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5a n ASN 41 N 0.13 5.45 -3.44 1.61 4.13 -1.26 -4.95 115.26 116.93 1x5a n ASN 41 Ca 0.28 -3.05 -0.13 0.00 1.68 0.00 0.00 54.58 53.36 1x5a n ASN 41 Cb 0.50 -1.46 -0.04 0.00 -1.54 0.00 0.00 39.78 37.24 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5a s LEU 42 N -0.19 0.78 0.27 3.41 1.43 -1.26 -5.09 118.68 118.03 1x5a s LEU 42 Ca 0.36 -1.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1x5a s LEU 42 Cb -0.04 1.59 -0.04 0.00 0.03 0.00 0.00 46.19 47.73 1x5a s LEU 42 CO -0.02 -1.27 0.19 -0.44 0.23 0.00 0.00 176.35 175.04 1x5a s SER 43 N -3.17 1.06 -0.02 2.29 0.01 -1.26 -4.97 113.70 107.64 1x5a s SER 43 Ca 0.28 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1x5a s SER 43 Cb -0.00 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.69 1x5a s SER 43 CO 0.17 -0.93 -0.00 -0.31 0.41 0.00 0.00 173.24 172.57 1x5a s TYR 44 N -3.76 0.19 -0.27 2.43 2.02 -0.10 -2.18 117.35 115.69 1x5a s TYR 44 Ca 0.39 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.99 1x5a s TYR 44 Cb 0.05 -0.25 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 1x5a s TYR 44 CO 0.19 -0.07 0.18 -2.00 -1.57 0.00 0.00 175.55 172.28 1x5a s GLU 45 N 0.58 3.96 -0.14 -0.62 2.12 -0.18 0.35 118.70 124.77 1x5a s GLU 45 Ca -0.05 -0.32 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 1x5a s GLU 45 Cb -0.08 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 1x5a s GLU 45 CO -0.01 -0.14 0.05 -1.17 -0.54 0.00 0.00 175.26 173.45 1x5a s LEU 46 N 1.62 3.80 -0.15 2.70 1.98 -0.88 -2.15 118.68 125.60 1x5a s LEU 46 Ca 0.07 0.15 -0.03 0.00 -2.89 0.00 0.00 54.13 51.44 1x5a s LEU 46 Cb -0.15 -1.93 0.05 0.00 0.66 0.00 0.00 46.19 44.82 1x5a s LEU 46 CO 0.09 0.28 0.03 -2.28 -1.89 0.00 0.00 176.35 172.59 1x5a s HIS 47 N -0.26 0.79 -0.16 5.38 5.65 -0.63 0.44 115.29 126.50 1x5a s HIS 47 Ca 0.08 -0.57 -0.05 0.00 0.25 0.00 0.00 55.06 54.77 1x5a s HIS 47 Cb -0.12 -0.91 -0.03 0.00 -1.18 0.00 0.00 32.58 30.34 1x5a s HIS 47 CO 0.02 -0.51 0.00 0.08 -0.65 0.00 0.00 174.74 173.68 1x5a s VAL 48 N 1.93 4.27 0.16 0.89 1.01 0.69 -2.15 120.40 127.20 1x5a s VAL 48 Ca 0.01 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1x5a s VAL 48 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1x5a s VAL 48 CO -0.07 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.54 1x5a s LEU 49 N 0.20 2.39 0.21 3.92 1.02 0.14 -0.66 118.68 125.91 1x5a s LEU 49 Ca 0.01 -0.81 -0.05 0.00 0.02 0.00 0.00 54.13 53.29 1x5a s LEU 49 Cb -0.13 -1.03 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 1x5a s LEU 49 CO 0.02 0.08 0.24 0.21 0.02 0.00 0.00 176.35 176.91 1x5a s ASN 50 N -2.42 0.08 0.07 2.29 3.84 0.64 -1.20 114.94 118.23 1x5a s ASN 50 Ca 0.16 -1.22 -0.14 0.00 0.21 0.00 0.00 52.86 51.87 1x5a s ASN 50 Cb -0.08 0.44 -0.03 0.00 -0.55 0.00 0.00 41.25 41.03 1x5a s ASN 50 CO 0.07 -0.93 0.95 0.00 -2.79 0.00 0.00 177.10 174.41 1x5a n GLN 51 N -0.29 -0.20 -0.85 0.43 1.13 -1.26 -2.36 117.38 113.98 1x5a n GLN 51 Ca 0.00 0.94 0.05 0.00 -1.94 0.00 0.00 57.00 56.05 1x5a n GLN 51 Cb 0.65 -1.39 0.13 0.00 0.11 0.00 0.00 30.24 29.74 1x5a n GLN 51 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1x5a n ASP 52 N -4.09 1.44 -3.63 1.08 2.03 -1.26 -4.99 116.55 107.13 1x5a n ASP 52 Ca 0.01 -3.12 -0.23 0.00 0.52 0.00 0.00 54.79 51.96 1x5a n ASP 52 Cb 0.12 -0.43 -0.17 0.00 -0.72 0.00 0.00 41.12 39.91 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x5a s GLU 53 N -1.99 0.01 -0.21 -0.67 2.02 -1.00 -5.12 118.70 111.75 1x5a s GLU 53 Ca 0.34 0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1x5a s GLU 53 Cb 0.35 -1.28 0.04 0.00 0.10 0.00 0.00 34.13 33.35 1x5a s GLU 53 CO -0.09 -0.53 -0.10 -2.00 0.02 0.00 0.00 175.26 172.56 1x5a s GLU 54 N 2.16 2.01 0.02 1.61 2.12 -1.26 0.23 118.70 125.59 1x5a s GLU 54 Ca 0.03 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.49 1x5a s GLU 54 Cb -0.14 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 1x5a s GLU 54 CO -0.07 -0.45 -0.05 1.67 -0.54 0.00 0.00 175.26 175.82 1x5a s TRP 55 N 1.38 0.43 0.00 5.30 -2.14 0.17 -5.01 118.94 119.07 1x5a s TRP 55 Ca -0.02 -0.29 0.05 0.00 2.66 0.00 0.00 56.10 58.50 1x5a s TRP 55 Cb -0.17 -0.27 -0.01 0.00 -3.10 0.00 0.00 33.47 29.92 1x5a s TRP 55 CO -0.08 -0.06 -0.16 -3.38 -2.66 0.00 0.00 176.95 170.61 1x5a s HIS 56 N -0.76 1.39 -0.11 1.66 -3.43 -1.26 -0.23 115.29 112.55 1x5a s HIS 56 Ca -0.05 -0.28 -0.04 0.00 -0.80 0.00 0.00 55.06 53.88 1x5a s HIS 56 Cb -0.06 -0.88 0.06 0.00 -1.43 0.00 0.00 32.58 30.27 1x5a s HIS 56 CO -0.00 -0.00 0.19 1.14 -2.00 0.00 0.00 174.74 174.06 1x5a s GLN 57 N -0.55 0.07 0.06 -0.38 -2.07 0.17 -4.97 119.66 111.99 1x5a s GLN 57 Ca 0.05 0.55 -0.31 0.00 -1.82 0.00 0.00 55.36 53.84 1x5a s GLN 57 Cb -0.06 -0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 31.44 1x5a s GLN 57 CO -0.00 -0.35 1.23 1.41 -1.32 0.00 0.00 175.29 176.27 1x5a s MET 58 N 2.32 4.41 0.05 9.60 -2.45 -1.26 -2.07 119.30 129.90 1x5a s MET 58 Ca 0.03 1.82 0.09 0.00 -1.25 0.00 0.00 55.69 56.38 1x5a s MET 58 Cb -0.12 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.58 1x5a s MET 58 CO -0.07 -0.30 -0.26 0.14 1.05 0.00 0.00 175.02 175.58 1x5a s VAL 59 N 1.15 2.09 -0.12 10.11 -7.23 0.16 -4.86 120.40 121.69 1x5a s VAL 59 Ca 0.60 -1.40 0.17 0.00 -1.81 0.00 0.00 61.98 59.54 1x5a s VAL 59 Cb -0.30 -1.80 -0.14 0.00 0.56 0.00 0.00 36.38 34.70 1x5a s VAL 59 CO 0.29 0.32 0.83 0.18 -0.31 0.00 0.00 175.10 176.41 1x5a n LEU 60 N 1.71 0.87 -4.89 1.32 4.77 -1.26 -0.92 117.00 118.61 1x5a n LEU 60 Ca -0.17 0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 1x5a n LEU 60 Cb 0.52 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1x5a n LEU 60 CO 0.23 0.15 0.26 -1.83 -1.33 0.00 0.00 177.39 174.87 1x5a s GLU 61 N -2.92 3.72 0.00 3.23 1.03 -1.26 -4.59 118.70 117.91 1x5a s GLU 61 Ca -0.03 0.20 0.12 0.00 0.03 0.00 0.00 54.97 55.29 1x5a s GLU 61 Cb 0.09 -2.59 0.73 0.00 -0.80 0.00 0.00 34.13 31.56 1x5a s GLU 61 CO 0.81 0.19 1.16 -0.35 -1.33 0.00 0.00 175.26 175.74 1x5a n PRO 62 N -0.75 0.49 -4.55 -4.83 -0.04 -1.26 -4.73 135.00 119.32 1x5a n PRO 62 Ca -0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1x5a n PRO 62 Cb 0.53 -1.39 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.84 -0.23 0.54 1.04 -1.26 -1.72 118.95 117.15 1x5a s ARG 63 Ca 0.18 -2.04 -0.21 0.00 -1.04 0.00 0.00 55.73 52.62 1x5a s ARG 63 Cb 0.08 -1.28 0.06 0.00 -2.04 0.00 0.00 34.95 31.78 1x5a s ARG 63 CO 0.14 -0.13 0.62 0.54 -0.04 0.00 0.00 175.30 176.43 1x5a s VAL 64 N -2.98 -0.00 -0.28 4.99 0.11 -1.11 -4.91 120.40 116.22 1x5a s VAL 64 Ca 0.34 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1x5a s VAL 64 Cb 0.09 -0.87 0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1x5a s VAL 64 CO 0.16 0.00 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.67 1x5a s LEU 65 N 0.43 3.60 -0.22 2.54 1.98 -1.26 -2.72 118.68 123.04 1x5a s LEU 65 Ca -0.01 -1.20 -0.12 0.00 -2.89 0.00 0.00 54.13 49.91 1x5a s LEU 65 Cb -0.04 -1.66 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 1x5a s LEU 65 CO -0.01 -0.21 0.23 -0.76 -1.89 0.00 0.00 176.35 173.72 1x5a s LEU 66 N 1.23 4.15 0.00 -0.68 1.43 0.65 -4.97 118.68 120.50 1x5a s LEU 66 Ca -0.05 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1x5a s LEU 66 Cb -0.19 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 1x5a s LEU 66 CO -0.03 0.05 0.00 0.35 0.23 0.00 0.00 176.35 176.95 1x5a n THR 67 N 4.12 0.00 -3.75 5.49 -2.24 -1.26 -0.35 114.28 116.29 1x5a n THR 67 Ca -0.13 -2.06 -0.24 0.00 -2.27 0.00 0.00 64.05 59.36 1x5a n THR 67 Cb 0.52 0.42 0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.08 -5.24 -2.84 -0.78 5.02 -1.17 -4.92 118.16 107.15 1x5a n LYS 68 Ca -0.18 0.63 -0.17 0.00 -2.02 0.00 0.00 58.31 56.57 1x5a n LYS 68 Cb 0.55 -5.31 0.04 0.00 -0.02 0.00 0.00 35.03 30.30 1x5a n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x5a n LEU 69 N -4.41 0.00 -4.40 -0.35 4.77 -1.21 -5.04 117.00 106.36 1x5a n LEU 69 Ca -0.20 -2.14 -0.31 0.00 -0.03 0.00 0.00 56.01 53.34 1x5a n LEU 69 Cb 0.63 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1x5a n LEU 69 CO 0.70 -0.63 -0.53 -1.10 -1.33 0.00 0.00 177.39 174.50 1x5a s GLN 70 N -4.07 2.02 0.30 3.23 -1.52 -1.24 -4.52 119.66 113.86 1x5a s GLN 70 Ca 0.43 -1.00 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 1x5a s GLN 70 Cb -0.03 -2.11 -0.10 0.00 -0.22 0.00 0.00 33.01 30.54 1x5a s GLN 70 CO 0.27 0.54 1.23 -1.25 -0.25 0.00 0.00 175.29 175.84 1x5a s PRO 71 N -1.21 4.46 -1.20 2.91 0.04 -0.52 -3.61 135.00 135.86 1x5a s PRO 71 Ca 0.13 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 1x5a s PRO 71 Cb -0.10 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1x5a s PRO 71 CO 0.03 -0.05 0.80 -3.47 0.04 0.00 0.00 177.00 174.35 1x5a n ASP 72 N 1.07 -3.43 -3.87 6.66 -0.08 -0.94 -4.81 116.55 111.16 1x5a n ASP 72 Ca 0.00 -0.82 -0.19 0.00 -1.51 0.00 0.00 54.79 52.27 1x5a n ASP 72 Cb 0.43 -4.27 -0.16 0.00 2.34 0.00 0.00 41.12 39.46 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5a s THR 73 N -3.53 0.39 -0.15 5.18 2.01 -1.24 -4.94 115.64 113.36 1x5a s THR 73 Ca 0.21 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1x5a s THR 73 Cb -0.05 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1x5a s THR 73 CO 0.80 0.19 1.21 -0.89 -0.69 0.00 0.00 174.62 175.23 1x5a s THR 74 N 0.89 4.36 -0.13 -0.82 2.01 -1.26 -2.77 115.64 117.91 1x5a s THR 74 Ca -0.11 1.65 0.02 0.00 0.31 0.00 0.00 61.69 63.56 1x5a s THR 74 Cb -0.14 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1x5a s THR 74 CO -0.00 -0.11 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.33 1x5a s TYR 75 N 3.17 2.29 0.06 4.92 2.02 -0.17 -4.56 117.35 125.08 1x5a s TYR 75 Ca 0.53 -1.18 -0.22 0.00 -0.37 0.00 0.00 57.07 55.84 1x5a s TYR 75 Cb -0.21 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 39.67 1x5a s TYR 75 CO 0.15 -0.59 0.64 0.42 -1.57 0.00 0.00 175.55 174.60 1x5a s ILE 76 N 1.07 4.73 0.06 2.71 -1.09 -0.35 -3.14 121.20 125.19 1x5a s ILE 76 Ca -0.03 1.37 0.03 0.00 -2.23 0.00 0.00 60.65 59.79 1x5a s ILE 76 Cb -0.14 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1x5a s ILE 76 CO -0.05 0.47 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.35 1x5a s VAL 77 N -0.64 0.77 -0.25 2.92 1.01 -1.23 -0.68 120.40 122.29 1x5a s VAL 77 Ca 0.32 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1x5a s VAL 77 Cb -0.20 -0.81 0.09 0.00 0.00 0.00 0.00 36.38 35.46 1x5a s VAL 77 CO 0.20 -0.34 0.60 0.00 0.00 0.00 0.00 175.10 175.56 1x5a s ARG 78 N -1.70 0.57 0.09 2.72 1.70 -0.91 -2.85 118.95 118.56 1x5a s ARG 78 Ca -0.06 1.18 0.09 0.00 -0.47 0.00 0.00 55.73 56.47 1x5a s ARG 78 Cb -0.10 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 1x5a s ARG 78 CO 0.01 -0.18 -0.24 0.54 -1.08 0.00 0.00 175.30 174.35 1x5a s VAL 79 N 2.04 2.00 0.02 4.99 0.11 -1.26 -1.61 120.40 126.69 1x5a s VAL 79 Ca -0.08 -1.52 -0.06 0.00 -2.93 0.00 0.00 61.98 57.39 1x5a s VAL 79 Cb -0.08 -1.76 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1x5a s VAL 79 CO -0.18 0.15 0.12 0.00 -3.33 0.00 0.00 175.10 171.86 1x5a s ARG 80 N -1.66 0.52 -0.55 1.54 1.70 -0.92 -3.48 118.95 116.10 1x5a s ARG 80 Ca 0.11 -0.53 -0.26 0.00 -0.47 0.00 0.00 55.73 54.57 1x5a s ARG 80 Cb -0.10 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 1x5a s ARG 80 CO 0.04 -0.13 1.06 0.99 -1.08 0.00 0.00 175.30 176.18 1x5a s THR 81 N -1.83 4.22 0.35 4.99 2.01 -1.26 -1.01 115.64 123.12 1x5a s THR 81 Ca -0.11 0.64 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 1x5a s THR 81 Cb -0.05 -4.62 -0.10 0.00 0.01 0.00 0.00 72.50 67.74 1x5a s THR 81 CO -0.01 -1.18 1.25 -0.76 -0.69 0.00 0.00 174.62 173.23 1x5a s LEU 82 N 4.40 4.37 0.08 4.42 1.43 -0.93 -3.51 118.68 128.94 1x5a s LEU 82 Ca 0.37 2.57 0.04 0.00 -1.03 0.00 0.00 54.13 56.09 1x5a s LEU 82 Cb -0.10 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 1x5a s LEU 82 CO 0.23 -0.56 -0.12 0.42 0.23 0.00 0.00 176.35 176.55 1x5a s THR 83 N -1.21 1.03 0.18 5.49 -4.23 -1.26 -4.20 115.64 111.43 1x5a s THR 83 Ca 0.51 -1.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1x5a s THR 83 Cb -0.37 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1x5a s THR 83 CO 0.48 -0.37 1.52 1.55 -0.54 0.00 0.00 174.62 177.27 1x5a h PRO 84 N 3.99 0.77 -3.48 3.99 0.13 -1.98 -3.38 132.00 132.04 1x5a h PRO 84 Ca -0.39 -0.41 -0.63 0.00 -0.87 0.00 0.00 66.00 63.71 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 1.03 -0.70 -0.51 -0.23 0.00 0.00 178.00 178.05 1x5a s LEU 85 N -8.71 3.54 0.00 1.56 1.43 -1.26 -4.91 118.68 110.33 1x5a s LEU 85 Ca -0.09 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 1x5a s LEU 85 Cb 0.12 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1x5a s LEU 85 CO 0.86 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.75 1x5a n GLY 86 N 3.68 -1.26 3.77 -3.19 0.00 -1.26 -5.04 105.19 101.88 1x5a n GLY 86 Ca 0.05 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.54 3.33 0.87 1.61 0.04 -1.26 -4.70 135.00 134.34 1x5a s PRO 87 Ca 0.00 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1x5a s PRO 87 Cb 0.00 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.65 1x5a s PRO 87 CO 0.00 -0.87 1.14 0.20 0.04 0.00 0.00 177.00 177.52 1x5a s GLY 88 N -1.83 1.58 1.02 0.56 0.00 -1.23 -4.95 107.32 102.47 1x5a s GLY 88 Ca 0.72 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 1x5a s GLY 88 CO 0.28 -0.00 1.09 2.56 0.00 0.00 0.00 173.10 177.03 1x5a s PRO 89 N -5.35 0.27 -0.18 2.90 0.04 -1.26 -4.84 135.00 126.58 1x5a s PRO 89 Ca 0.63 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1x5a s PRO 89 Cb -0.14 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1x5a s PRO 89 CO 0.52 -2.83 0.25 -0.06 0.04 0.00 0.00 177.00 174.92 1x5a s PHE 90 N -2.97 3.43 0.80 0.56 0.08 -1.26 -4.67 117.98 113.95 1x5a s PHE 90 Ca 0.66 0.50 -0.16 0.00 0.12 0.00 0.00 56.93 58.05 1x5a s PHE 90 Cb -0.19 -2.30 -0.05 0.00 -0.57 0.00 0.00 43.02 39.91 1x5a s PHE 90 CO 0.58 0.23 0.20 -1.13 -0.10 0.00 0.00 175.22 174.99 1x5a n SER 91 N 3.66 -2.50 -4.75 1.36 3.41 -1.23 -4.88 113.62 108.69 1x5a n SER 91 Ca -0.13 0.47 -0.41 0.00 -0.26 0.00 0.00 58.87 58.54 1x5a n SER 91 Cb 0.52 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.64 4.42 -0.46 4.33 0.04 -1.26 -4.80 135.00 134.63 1x5a s PRO 92 Ca 0.58 2.05 -0.43 0.00 0.04 0.00 0.00 61.00 63.24 1x5a s PRO 92 Cb -0.30 -3.17 -0.18 0.00 0.04 0.00 0.00 34.50 30.89 1x5a s PRO 92 CO 0.65 -0.17 2.00 -0.40 0.04 0.00 0.00 177.00 179.12 1x5a n ASP 93 N 2.06 1.18 -4.47 6.66 5.68 -1.26 -4.86 116.55 121.53 1x5a n ASP 93 Ca 0.04 0.78 -0.43 0.00 -0.50 0.00 0.00 54.79 54.68 1x5a n ASP 93 Cb 0.43 -0.97 -0.07 0.00 -1.14 0.00 0.00 41.12 39.37 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1x5a s HIS 94 N 5.34 3.09 -0.34 2.11 3.76 -1.13 -4.97 115.29 123.14 1x5a s HIS 94 Ca 1.14 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 55.37 1x5a s HIS 94 Cb -1.37 -3.33 -0.02 0.00 1.11 0.00 0.00 32.58 28.97 1x5a s HIS 94 CO 0.67 -0.91 1.81 -2.00 -0.85 0.00 0.00 174.74 173.47 1x5a s GLU 95 N 2.53 3.28 0.18 1.40 2.12 -1.26 -3.49 118.70 123.46 1x5a s GLU 95 Ca 0.16 1.39 0.10 0.00 0.36 0.00 0.00 54.97 56.98 1x5a s GLU 95 Cb -0.18 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 29.96 1x5a s GLU 95 CO 0.14 -1.92 -0.21 -0.06 -0.54 0.00 0.00 175.26 172.66 1x5a s PHE 96 N 7.08 2.08 -0.02 5.30 0.08 -1.19 -5.02 117.98 126.29 1x5a s PHE 96 Ca 0.80 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.46 1x5a s PHE 96 Cb -0.22 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1x5a s PHE 96 CO 0.33 0.42 -0.06 0.50 -0.10 0.00 0.00 175.22 176.31 1x5a s ARG 97 N -2.70 0.66 0.78 0.44 3.52 -1.26 -1.00 118.95 119.38 1x5a s ARG 97 Ca 0.18 -0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.47 1x5a s ARG 97 Cb -0.07 -0.65 0.06 0.00 -1.56 0.00 0.00 34.95 32.73 1x5a s ARG 97 CO 0.08 0.07 1.14 0.95 -0.81 0.00 0.00 175.30 176.73 1x5a s THR 98 N 0.22 2.65 0.39 4.11 -4.23 -1.12 -4.94 115.64 112.73 1x5a s THR 98 Ca -0.03 0.21 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 1x5a s THR 98 Cb -0.07 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 1x5a s THR 98 CO -0.00 -0.28 1.28 -0.55 -0.54 0.00 0.00 174.62 174.54 1x5a s SER 99 N -4.41 6.41 0.56 3.99 0.15 -1.05 -3.87 113.70 115.47 1x5a s SER 99 Ca 0.61 2.62 -0.19 0.00 0.70 0.00 0.00 55.95 59.68 1x5a s SER 99 Cb -0.11 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1x5a s SER 99 CO 0.51 -0.78 1.12 -2.16 1.20 0.00 0.00 173.24 173.13 1x5a s PRO 100 N -2.18 3.27 1.14 5.44 0.04 -1.26 -2.21 135.00 139.24 1x5a s PRO 100 Ca 0.56 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1x5a s PRO 100 Cb -0.37 -2.00 0.26 0.00 0.04 0.00 0.00 34.50 32.43 1x5a s PRO 100 CO 0.48 -0.91 1.10 -1.25 0.04 0.00 0.00 177.00 176.47 1x5a s PRO 101 N -3.42 -0.72 -1.22 0.56 0.04 -1.26 -4.86 135.00 124.12 1x5a s PRO 101 Ca 0.72 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 1x5a s PRO 101 Cb -0.23 -1.64 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1x5a s PRO 101 CO 0.29 -3.41 1.65 -1.12 0.04 0.00 0.00 177.00 174.45 1x5a s SER 102 N -3.74 6.77 0.25 6.66 0.01 -1.26 -4.93 113.70 117.46 1x5a s SER 102 Ca 0.69 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.72 1x5a s SER 102 Cb -0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1x5a s SER 102 CO 0.57 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1x5a n GLY 103 N 5.69 0.68 3.67 3.44 0.00 -1.26 -4.71 105.19 112.71 1x5a n GLY 103 Ca 0.44 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.37 -0.19 1.61 0.04 -1.26 -5.05 135.00 130.52 1x5a s PRO 104 Ca 0.00 0.51 -0.00 0.00 0.04 0.00 0.00 61.00 61.54 1x5a s PRO 104 Cb 0.00 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.82 1x5a s PRO 104 CO 0.00 -2.77 -0.16 0.45 0.04 0.00 0.00 177.00 174.56 1x5a s SER 105 N -3.45 3.43 -0.68 6.66 0.15 -1.26 -5.00 113.70 113.54 1x5a s SER 105 Ca 0.65 -0.61 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 1x5a s SER 105 Cb -0.19 -1.54 0.43 0.00 -1.71 0.00 0.00 66.02 63.02 1x5a s SER 105 CO 0.58 -0.01 2.00 -0.24 1.20 0.00 0.00 173.24 176.77 1x5a n SER 106 N 4.66 7.58 0.00 5.45 2.88 -1.26 -5.29 113.62 127.64 1x5a n SER 106 Ca -0.20 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.54 1x5a n SER 106 Cb 0.50 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x5a n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42