#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a h SER 2 N 0.00 -1.26 -4.71 1.61 0.02 -2.11 -3.45 113.55 103.65 1x5a h SER 2 Ca 0.00 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1x5a h SER 2 Cb 0.00 0.51 -0.18 0.00 0.14 0.00 0.00 62.40 62.87 1x5a h SER 2 CO 0.00 -0.42 0.34 -0.94 -1.14 0.00 0.00 176.83 174.66 1x5a s SER 3 N -4.86 -0.52 0.00 3.07 1.04 -1.26 -5.18 113.70 105.99 1x5a s SER 3 Ca -0.16 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1x5a s SER 3 Cb 0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1x5a s SER 3 CO 0.64 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1x5a n GLY 4 N 0.46 2.26 2.96 7.32 0.00 -1.26 -5.06 105.19 111.87 1x5a n GLY 4 Ca -0.15 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.78 5.02 0.03 1.61 0.15 -1.26 -5.06 113.70 113.42 1x5a s SER 5 Ca 0.00 -3.68 -0.03 0.00 0.70 0.00 0.00 55.95 52.94 1x5a s SER 5 Cb 0.00 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1x5a s SER 5 CO 0.00 -0.14 0.04 -0.55 1.20 0.00 0.00 173.24 173.79 1x5a s SER 6 N -0.95 0.25 0.00 5.45 0.15 -1.26 -5.12 113.70 112.22 1x5a s SER 6 Ca 0.24 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1x5a s SER 6 Cb -0.09 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x5a s SER 6 CO -0.13 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1x5a n GLY 7 N 0.89 3.06 3.69 9.45 0.00 -1.26 -5.07 105.19 115.95 1x5a n GLY 7 Ca -0.19 -0.58 -0.51 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.45 -3.55 4.61 0.00 -1.26 -4.95 120.51 115.81 1x5a n ALA 8 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1x5a n ALA 8 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.00 1x5a n ALA 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x5a s GLU 9 N 3.43 0.64 -0.16 0.00 1.03 -1.26 -5.14 118.70 117.23 1x5a s GLU 9 Ca 0.93 0.88 -0.05 0.00 0.03 0.00 0.00 54.97 56.77 1x5a s GLU 9 Cb -0.84 0.24 0.06 0.00 -0.80 0.00 0.00 34.13 32.79 1x5a s GLU 9 CO 0.55 -0.11 0.10 -1.54 -1.33 0.00 0.00 175.26 172.94 1x5a s SER 10 N 0.74 2.14 -0.13 0.83 1.04 -1.26 -5.11 113.70 111.95 1x5a s SER 10 Ca -0.03 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.59 1x5a s SER 10 Cb -0.05 -0.16 -0.06 0.00 0.10 0.00 0.00 66.02 65.85 1x5a s SER 10 CO -0.05 -0.34 2.07 -0.22 0.98 0.00 0.00 173.24 175.68 1x5a s LEU 11 N 2.16 3.83 0.05 2.42 0.20 -1.26 -4.89 118.68 121.19 1x5a s LEU 11 Ca 0.03 2.13 -0.16 0.00 0.69 0.00 0.00 54.13 56.81 1x5a s LEU 11 Cb -0.16 -3.52 -0.06 0.00 -0.43 0.00 0.00 46.19 42.02 1x5a s LEU 11 CO -0.09 -1.58 1.26 0.28 -0.29 0.00 0.00 176.35 175.93 1x5a h SER 12 N 13.11 -0.78 0.00 3.68 0.02 -1.99 -3.43 113.55 124.16 1x5a h SER 12 Ca -0.43 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1x5a h SER 12 Cb 1.23 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 63.97 1x5a h SER 12 CO 0.96 -0.24 0.09 0.61 -1.14 0.00 0.00 176.83 177.10 1x5a n GLY 13 N -1.21 -0.50 2.57 -3.77 0.00 -1.26 -5.01 105.19 96.00 1x5a n GLY 13 Ca -0.03 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1x5a n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5a n LEU 14 N -0.39 3.59 -4.52 0.99 4.77 -1.26 -4.48 117.00 115.70 1x5a n LEU 14 Ca -0.21 -4.88 -0.42 0.00 -0.03 0.00 0.00 56.01 50.48 1x5a n LEU 14 Cb 0.69 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1x5a n LEU 14 CO -0.10 2.08 1.15 -0.44 -1.33 0.00 0.00 177.39 178.74 1x5a s SER 15 N -3.35 6.31 0.65 -1.43 0.01 -1.26 -4.81 113.70 109.81 1x5a s SER 15 Ca 0.42 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1x5a s SER 15 Cb 0.40 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.99 1x5a s SER 15 CO -0.12 -1.58 -0.08 0.18 0.41 0.00 0.00 173.24 172.05 1x5a n LEU 16 N 8.59 -2.90 -3.84 2.44 4.77 -1.26 -4.78 117.00 120.01 1x5a n LEU 16 Ca 0.12 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.54 1x5a n LEU 16 Cb 0.49 -0.93 -0.13 0.00 -2.33 0.00 0.00 43.42 40.52 1x5a n LEU 16 CO 0.66 -4.57 -0.26 -1.59 -1.33 0.00 0.00 177.39 170.30 1x5a s LYS 17 N -1.62 0.12 -0.74 3.23 0.00 -1.22 -5.00 119.74 114.52 1x5a s LYS 17 Ca 0.56 0.11 -0.25 0.00 0.00 0.00 0.00 55.97 56.40 1x5a s LYS 17 Cb -0.40 0.06 0.05 0.00 0.00 0.00 0.00 37.83 37.53 1x5a s LYS 17 CO 0.67 -0.02 1.17 -1.17 0.00 0.00 0.00 175.35 176.00 1x5a s LEU 18 N 0.01 3.72 -0.05 2.77 2.96 -1.26 -3.05 118.68 123.78 1x5a s LEU 18 Ca -0.00 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 52.95 1x5a s LEU 18 Cb -0.01 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 44.08 1x5a s LEU 18 CO 0.00 -1.63 0.65 0.58 -1.32 0.00 0.00 176.35 174.63 1x5a h VAL 19 N 6.06 0.34 -3.82 1.68 2.07 -1.49 -3.46 116.25 117.63 1x5a h VAL 19 Ca -0.23 -0.87 -0.51 0.00 0.82 0.00 0.00 66.70 65.92 1x5a h VAL 19 Cb 1.05 0.58 -0.31 0.00 -1.52 0.00 0.00 31.29 31.09 1x5a h VAL 19 CO 1.25 0.09 -0.82 -0.75 0.02 0.00 0.00 177.57 177.36 1x5a s LYS 20 N -3.14 1.45 -0.49 1.57 2.47 -1.09 -5.01 119.74 115.51 1x5a s LYS 20 Ca -0.09 -0.47 -0.09 0.00 -1.56 0.00 0.00 55.97 53.76 1x5a s LYS 20 Cb 0.01 -1.28 0.13 0.00 -1.46 0.00 0.00 37.83 35.22 1x5a s LYS 20 CO 0.31 0.17 0.37 0.21 0.16 0.00 0.00 175.35 176.57 1x5a s LYS 21 N 0.16 2.52 0.20 4.03 2.20 -1.26 -3.28 119.74 124.31 1x5a s LYS 21 Ca -0.05 -1.83 0.10 0.00 -0.36 0.00 0.00 55.97 53.84 1x5a s LYS 21 Cb -0.11 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 1x5a s LYS 21 CO 0.02 -1.20 -0.16 -1.21 -0.36 0.00 0.00 175.35 172.44 1x5a s GLU 22 N 1.25 1.81 0.20 4.03 0.41 -1.01 -4.19 118.70 121.20 1x5a s GLU 22 Ca 0.07 -1.43 -0.04 0.00 -0.41 0.00 0.00 54.97 53.15 1x5a s GLU 22 Cb -0.25 -1.99 0.14 0.00 -1.78 0.00 0.00 34.13 30.24 1x5a s GLU 22 CO -0.01 0.41 1.55 -1.00 -0.49 0.00 0.00 175.26 175.72 1x5a h PRO 23 N 2.91 0.67 0.00 0.39 0.13 -1.90 -2.71 132.00 131.49 1x5a h PRO 23 Ca -0.46 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.31 1x5a h PRO 23 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1x5a h PRO 23 CO 0.52 0.96 -0.49 0.54 -0.23 0.00 0.00 178.00 179.30 1x5a n ARG 24 N -4.03 1.48 -3.52 0.86 1.74 -1.26 -1.11 116.66 110.83 1x5a n ARG 24 Ca -0.02 -3.19 -0.11 0.00 -0.77 0.00 0.00 57.85 53.77 1x5a n ARG 24 Cb 0.53 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 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 -3.04 0.83 -0.24 5.56 0.74 -1.23 -3.37 119.66 118.90 1x5a s GLN 25 Ca 0.37 -0.11 -0.09 0.00 0.05 0.00 0.00 55.36 55.59 1x5a s GLN 25 Cb 0.36 0.39 0.10 0.00 1.10 0.00 0.00 33.01 34.96 1x5a s GLN 25 CO -0.07 -0.32 0.53 -0.51 -0.55 0.00 0.00 175.29 174.37 1x5a s LEU 26 N -1.92 -0.84 -0.09 3.68 1.43 -0.45 -2.39 118.68 118.09 1x5a s LEU 26 Ca 0.00 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 1x5a s LEU 26 Cb -0.01 1.81 -0.01 0.00 0.03 0.00 0.00 46.19 48.01 1x5a s LEU 26 CO -0.04 -0.23 -0.18 -0.70 0.23 0.00 0.00 176.35 175.43 1x5a s GLU 27 N 2.60 2.90 0.14 1.70 -6.30 -1.21 -1.16 118.70 117.39 1x5a s GLU 27 Ca -0.04 -0.78 0.02 0.00 -2.50 0.00 0.00 54.97 51.66 1x5a s GLU 27 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 34.13 31.58 1x5a s GLU 27 CO -0.16 0.35 -0.02 -0.51 0.02 0.00 0.00 175.26 174.94 1x5a s LEU 28 N -0.03 2.24 -0.15 2.70 1.43 -1.07 -1.16 118.68 122.64 1x5a s LEU 28 Ca -0.05 -1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 1x5a s LEU 28 Cb -0.14 -0.05 0.04 0.00 0.03 0.00 0.00 46.19 46.07 1x5a s LEU 28 CO 0.04 -0.53 0.40 0.28 0.23 0.00 0.00 176.35 176.77 1x5a s THR 29 N -3.66 -0.01 -0.23 5.49 -1.32 -1.17 -2.48 115.64 112.26 1x5a s THR 29 Ca 0.20 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.71 1x5a s THR 29 Cb 0.06 -0.56 0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1x5a s THR 29 CO 0.01 0.01 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.72 1x5a s TRP 30 N 0.55 2.34 0.25 9.09 -2.14 -0.68 -3.37 118.94 124.99 1x5a s TRP 30 Ca -0.03 -1.72 0.02 0.00 2.66 0.00 0.00 56.10 57.03 1x5a s TRP 30 Cb -0.04 -1.56 -0.05 0.00 -3.10 0.00 0.00 33.47 28.72 1x5a s TRP 30 CO -0.03 -0.77 0.06 0.00 -2.66 0.00 0.00 176.95 173.55 1x5a s ALA 31 N 1.41 1.81 0.00 2.67 0.00 -1.26 -4.79 121.76 121.60 1x5a s ALA 31 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1x5a s ALA 31 Cb -0.19 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1x5a s ALA 31 CO -0.06 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1x5a n GLY 32 N -0.47 -0.09 3.61 0.00 0.00 -1.26 -4.83 105.19 102.15 1x5a n GLY 32 Ca -0.02 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 6.27 0.03 1.61 0.15 -1.26 -4.98 113.70 115.52 1x5a s SER 33 Ca 0.00 1.12 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 1x5a s SER 33 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1x5a s SER 33 CO 0.00 -1.43 1.01 -0.60 1.20 0.00 0.00 173.24 173.42 1x5a s ARG 34 N 4.98 4.56 -0.09 5.44 3.52 -1.26 -4.99 118.95 131.11 1x5a s ARG 34 Ca 0.67 1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 57.46 1x5a s ARG 34 Cb -0.18 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1x5a s ARG 34 CO 0.31 -0.05 1.52 -1.25 -0.81 0.00 0.00 175.30 175.02 1x5a s PRO 35 N 0.86 4.20 0.23 5.12 0.04 -1.26 -4.91 135.00 139.28 1x5a s PRO 35 Ca 0.52 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.49 1x5a s PRO 35 Cb -0.23 -3.89 0.39 0.00 0.04 0.00 0.00 34.50 30.81 1x5a s PRO 35 CO 0.29 -0.79 1.65 0.00 0.04 0.00 0.00 177.00 178.19 1x5a h ARG 36 N 9.02 0.13 -6.06 4.56 3.08 -1.99 -3.41 114.38 119.72 1x5a h ARG 36 Ca -0.35 -0.01 -0.59 0.00 0.07 0.00 0.00 59.98 59.10 1x5a h ARG 36 Cb 1.15 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 1x5a h ARG 36 CO 0.96 0.09 -0.41 -0.80 -1.07 0.00 0.00 179.97 178.74 1x5a s ASN 37 N -5.21 6.41 -0.47 7.04 0.01 -1.26 -5.03 114.94 116.42 1x5a s ASN 37 Ca -0.13 0.40 -0.28 0.00 -0.71 0.00 0.00 52.86 52.14 1x5a s ASN 37 Cb 0.21 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.84 1x5a s ASN 37 CO 0.75 0.09 1.78 -2.16 -1.51 0.00 0.00 177.10 176.05 1x5a s PRO 38 N -2.73 3.04 0.00 -0.60 0.04 -1.26 -4.61 135.00 128.88 1x5a s PRO 38 Ca 0.38 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1x5a s PRO 38 Cb -0.12 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1x5a s PRO 38 CO 0.27 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1x5a n GLY 39 N 5.51 0.14 0.00 0.56 0.00 -1.26 -5.08 105.19 105.05 1x5a n GLY 39 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.85 2.07 -0.02 0.00 -1.26 -4.97 105.19 101.85 1x5a n GLY 40 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1x5a n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5a n ASN 41 N 0.00 6.57 -4.79 1.61 5.15 -1.26 -4.93 115.26 117.60 1x5a n ASN 41 Ca 0.00 -3.37 -0.22 0.00 -0.60 0.00 0.00 54.58 50.39 1x5a n ASN 41 Cb 0.00 -0.98 -0.05 0.00 -0.53 0.00 0.00 39.78 38.22 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5a s LEU 42 N -2.71 3.69 0.54 1.20 1.43 -1.26 -5.14 118.68 116.43 1x5a s LEU 42 Ca 0.46 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1x5a s LEU 42 Cb 0.36 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1x5a s LEU 42 CO 0.00 -0.05 0.20 -0.94 0.23 0.00 0.00 176.35 175.79 1x5a s SER 43 N -3.82 4.38 -0.12 2.29 1.04 -1.26 -4.78 113.70 111.41 1x5a s SER 43 Ca 0.33 -1.50 -0.10 0.00 0.48 0.00 0.00 55.95 55.16 1x5a s SER 43 Cb -0.07 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.67 1x5a s SER 43 CO 0.24 -1.03 0.31 -0.31 0.98 0.00 0.00 173.24 173.44 1x5a s TYR 44 N -2.85 -0.38 -0.27 5.02 2.02 0.91 -3.12 117.35 118.67 1x5a s TYR 44 Ca 0.16 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.64 1x5a s TYR 44 Cb -0.01 0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 1x5a s TYR 44 CO 0.10 -0.20 0.23 -2.00 -1.57 0.00 0.00 175.55 172.10 1x5a s GLU 45 N 0.55 3.99 -0.13 -0.62 -6.30 -0.60 0.29 118.70 115.88 1x5a s GLU 45 Ca -0.03 -0.23 -0.04 0.00 -2.50 0.00 0.00 54.97 52.17 1x5a s GLU 45 Cb -0.05 -3.64 -0.03 0.00 0.00 0.00 0.00 34.13 30.42 1x5a s GLU 45 CO -0.03 -0.15 -0.00 -1.17 0.02 0.00 0.00 175.26 173.92 1x5a s LEU 46 N 1.69 3.50 -0.12 2.70 1.98 -0.79 -1.89 118.68 125.75 1x5a s LEU 46 Ca 0.09 0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.34 1x5a s LEU 46 Cb -0.16 -1.83 0.04 0.00 0.66 0.00 0.00 46.19 44.90 1x5a s LEU 46 CO 0.10 0.26 -0.01 -2.28 -1.89 0.00 0.00 176.35 172.53 1x5a s HIS 47 N -0.15 0.99 -0.12 5.38 5.65 -0.75 -0.19 115.29 126.10 1x5a s HIS 47 Ca 0.05 -0.53 -0.01 0.00 0.25 0.00 0.00 55.06 54.82 1x5a s HIS 47 Cb -0.13 -0.98 -0.02 0.00 -1.18 0.00 0.00 32.58 30.27 1x5a s HIS 47 CO 0.02 -0.46 -0.08 0.08 -0.65 0.00 0.00 174.74 173.65 1x5a s VAL 48 N 1.87 3.52 0.19 0.89 1.01 0.54 -1.98 120.40 126.45 1x5a s VAL 48 Ca 0.03 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1x5a s VAL 48 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1x5a s VAL 48 CO -0.07 0.53 -0.23 -0.76 0.00 0.00 0.00 175.10 174.58 1x5a s LEU 49 N 0.01 2.44 0.26 3.92 1.02 0.47 -0.36 118.68 126.45 1x5a s LEU 49 Ca -0.01 -0.88 -0.00 0.00 0.02 0.00 0.00 54.13 53.26 1x5a s LEU 49 Cb -0.14 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1x5a s LEU 49 CO 0.03 0.09 0.27 0.21 0.02 0.00 0.00 176.35 176.97 1x5a s ASN 50 N -2.72 0.68 0.19 2.29 2.47 0.34 -1.14 114.94 117.05 1x5a s ASN 50 Ca 0.20 -1.46 -0.22 0.00 0.42 0.00 0.00 52.86 51.81 1x5a s ASN 50 Cb -0.07 0.50 0.12 0.00 -1.45 0.00 0.00 41.25 40.34 1x5a s ASN 50 CO 0.10 -1.01 1.57 1.56 -3.72 0.00 0.00 177.10 175.60 1x5a h GLN 51 N 2.36 -0.14 0.00 0.43 1.08 -2.02 -3.18 115.11 113.64 1x5a h GLN 51 Ca -0.30 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 1x5a h GLN 51 Cb 1.24 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.66 1x5a h GLN 51 CO 0.44 -0.09 -0.43 -3.47 -0.95 0.00 0.00 178.83 174.32 1x5a n ASP 52 N -5.43 0.75 -3.62 1.46 2.03 -1.26 -5.02 116.55 105.46 1x5a n ASP 52 Ca 0.05 -2.35 -0.21 0.00 0.52 0.00 0.00 54.79 52.80 1x5a n ASP 52 Cb 0.36 -0.28 -0.16 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.84 0.04 -0.11 -0.67 2.02 -1.20 -5.13 118.70 112.81 1x5a s GLU 53 Ca 0.13 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1x5a s GLU 53 Cb 0.12 -1.09 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1x5a s GLU 53 CO -0.01 -0.51 -0.10 -2.00 0.02 0.00 0.00 175.26 172.66 1x5a s GLU 54 N 2.21 1.70 0.09 1.61 2.12 -1.26 0.13 118.70 125.29 1x5a s GLU 54 Ca 0.04 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1x5a s GLU 54 Cb -0.14 -1.64 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1x5a s GLU 54 CO -0.07 -0.20 -0.07 1.67 -0.54 0.00 0.00 175.26 176.05 1x5a s TRP 55 N 1.46 0.85 0.04 5.30 -2.14 0.52 -4.99 118.94 119.98 1x5a s TRP 55 Ca 0.01 -0.84 0.03 0.00 2.66 0.00 0.00 56.10 57.97 1x5a s TRP 55 Cb -0.13 -0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 29.72 1x5a s TRP 55 CO -0.06 -0.14 -0.11 -3.38 -2.66 0.00 0.00 176.95 170.61 1x5a s HIS 56 N -3.20 0.92 -0.16 1.66 -3.43 -1.26 -0.34 115.29 109.47 1x5a s HIS 56 Ca 0.08 -0.38 -0.06 0.00 -0.80 0.00 0.00 55.06 53.89 1x5a s HIS 56 Cb 0.02 -0.54 0.07 0.00 -1.43 0.00 0.00 32.58 30.71 1x5a s HIS 56 CO -0.04 -0.01 0.35 1.14 -2.00 0.00 0.00 174.74 174.19 1x5a s GLN 57 N -1.24 0.27 -0.19 -0.38 -2.07 0.74 -5.00 119.66 111.79 1x5a s GLN 57 Ca -0.03 0.86 -0.29 0.00 -1.82 0.00 0.00 55.36 54.08 1x5a s GLN 57 Cb -0.08 0.12 -0.00 0.00 -1.09 0.00 0.00 33.01 31.96 1x5a s GLN 57 CO 0.01 -0.24 1.14 1.41 -1.32 0.00 0.00 175.29 176.29 1x5a s MET 58 N 2.24 4.26 0.02 9.60 -2.45 -1.26 -1.88 119.30 129.82 1x5a s MET 58 Ca -0.03 1.51 0.03 0.00 -1.25 0.00 0.00 55.69 55.95 1x5a s MET 58 Cb -0.11 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.25 1x5a s MET 58 CO -0.11 -0.64 -0.03 0.14 1.05 0.00 0.00 175.02 175.43 1x5a s VAL 59 N 3.23 3.91 -0.33 10.11 -7.23 0.14 -4.91 120.40 125.32 1x5a s VAL 59 Ca 0.49 -0.76 0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1x5a s VAL 59 Cb -0.19 -2.75 0.72 0.00 0.56 0.00 0.00 36.38 34.72 1x5a s VAL 59 CO 0.11 0.33 1.65 0.18 -0.31 0.00 0.00 175.10 177.06 1x5a n LEU 60 N 1.29 5.43 -3.79 1.32 4.77 -1.26 -0.06 117.00 124.69 1x5a n LEU 60 Ca -0.14 -2.78 -0.11 0.00 -0.03 0.00 0.00 56.01 52.95 1x5a n LEU 60 Cb 0.52 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1x5a n LEU 60 CO 0.34 0.64 -0.02 -1.83 -1.33 0.00 0.00 177.39 175.19 1x5a s GLU 61 N -2.64 0.75 0.00 3.23 -1.05 -1.26 -4.85 118.70 112.88 1x5a s GLU 61 Ca 0.49 -0.53 0.11 0.00 -0.15 0.00 0.00 54.97 54.90 1x5a s GLU 61 Cb 0.38 0.32 0.67 0.00 -0.44 0.00 0.00 34.13 35.06 1x5a s GLU 61 CO 0.14 -0.23 1.10 -0.35 0.95 0.00 0.00 175.26 176.87 1x5a n PRO 62 N 0.68 0.49 -5.08 -4.83 -0.04 -1.26 -4.67 135.00 120.29 1x5a n PRO 62 Ca -0.19 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 1x5a n PRO 62 Cb 0.59 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.01 -0.02 0.54 1.70 -1.26 -1.68 118.95 118.24 1x5a s ARG 63 Ca 0.17 -0.99 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 1x5a s ARG 63 Cb 0.08 -2.05 0.02 0.00 -0.57 0.00 0.00 34.95 32.43 1x5a s ARG 63 CO 0.13 0.54 -0.01 0.54 -1.08 0.00 0.00 175.30 175.42 1x5a s VAL 64 N -0.72 0.19 -0.29 4.99 0.11 -1.03 -4.93 120.40 118.73 1x5a s VAL 64 Ca 0.11 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1x5a s VAL 64 Cb -0.10 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1x5a s VAL 64 CO 0.01 0.12 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.67 1x5a s LEU 65 N 0.67 3.69 -0.25 2.54 1.98 -1.26 -2.60 118.68 123.46 1x5a s LEU 65 Ca -0.07 -1.08 -0.12 0.00 -2.89 0.00 0.00 54.13 49.97 1x5a s LEU 65 Cb -0.10 -1.72 -0.05 0.00 0.66 0.00 0.00 46.19 44.98 1x5a s LEU 65 CO -0.01 -0.21 0.22 -0.76 -1.89 0.00 0.00 176.35 173.69 1x5a s LEU 66 N 1.31 4.09 0.46 -0.68 1.43 -0.31 -4.97 118.68 120.02 1x5a s LEU 66 Ca -0.03 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1x5a s LEU 66 Cb -0.18 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1x5a s LEU 66 CO -0.02 -0.00 0.08 0.42 0.23 0.00 0.00 176.35 177.06 1x5a s THR 67 N 1.34 1.73 -1.30 5.49 -4.23 -1.26 -1.35 115.64 116.06 1x5a s THR 67 Ca 0.10 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1x5a s THR 67 Cb -0.14 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1x5a s THR 67 CO 0.07 0.00 1.13 0.29 -0.54 0.00 0.00 174.62 175.57 1x5a n LYS 68 N -1.21 -7.61 -2.25 3.99 5.02 -1.22 -4.95 118.16 109.92 1x5a n LYS 68 Ca -0.09 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 56.88 1x5a n LYS 68 Cb 0.66 -5.78 0.04 0.00 -0.02 0.00 0.00 35.03 29.94 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 -4.79 0.00 -4.36 -0.35 4.77 -1.25 -5.05 117.00 105.98 1x5a n LEU 69 Ca -0.02 -1.54 -0.30 0.00 -0.03 0.00 0.00 56.01 54.12 1x5a n LEU 69 Cb 0.57 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1x5a n LEU 69 CO 0.62 -0.62 -0.56 -1.10 -1.33 0.00 0.00 177.39 174.41 1x5a s GLN 70 N -3.59 1.86 0.60 3.23 -0.21 -1.22 -4.49 119.66 115.85 1x5a s GLN 70 Ca 0.36 -1.08 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 1x5a s GLN 70 Cb -0.03 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1x5a s GLN 70 CO 0.23 0.52 1.12 -1.25 -2.12 0.00 0.00 175.29 173.79 1x5a s PRO 71 N -1.22 3.08 -1.53 2.91 0.04 -0.27 -3.58 135.00 134.44 1x5a s PRO 71 Ca 0.12 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 1x5a s PRO 71 Cb -0.10 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1x5a s PRO 71 CO 0.02 -1.05 0.48 -0.40 0.04 0.00 0.00 177.00 176.10 1x5a n ASP 72 N -1.87 -1.12 -4.09 6.66 5.75 -0.82 -4.88 116.55 116.18 1x5a n ASP 72 Ca 0.11 -1.05 -0.25 0.00 -0.01 0.00 0.00 54.79 53.59 1x5a n ASP 72 Cb 0.51 -2.75 -0.16 0.00 -1.03 0.00 0.00 41.12 37.69 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5a s THR 73 N -3.79 1.27 -0.21 2.12 2.01 -1.23 -4.91 115.64 110.89 1x5a s THR 73 Ca 0.25 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1x5a s THR 73 Cb -0.14 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1x5a s THR 73 CO 0.92 0.37 1.05 -0.89 -0.69 0.00 0.00 174.62 175.38 1x5a s THR 74 N 0.19 4.67 -0.15 -0.82 2.01 -1.26 -2.64 115.64 117.65 1x5a s THR 74 Ca -0.06 2.01 0.00 0.00 0.31 0.00 0.00 61.69 63.95 1x5a s THR 74 Cb -0.12 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.12 1x5a s THR 74 CO 0.02 -0.16 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.35 1x5a s TYR 75 N 3.06 2.14 0.04 4.92 2.02 -0.21 -4.52 117.35 124.80 1x5a s TYR 75 Ca 0.45 -1.20 -0.25 0.00 -0.37 0.00 0.00 57.07 55.70 1x5a s TYR 75 Cb -0.16 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1x5a s TYR 75 CO 0.08 -0.66 0.78 0.42 -1.57 0.00 0.00 175.55 174.60 1x5a s ILE 76 N 1.49 4.75 0.01 2.71 -1.09 -0.29 -3.07 121.20 125.72 1x5a s ILE 76 Ca 0.05 1.66 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 1x5a s ILE 76 Cb -0.13 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1x5a s ILE 76 CO -0.11 0.34 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.15 1x5a s VAL 77 N 0.08 0.82 -0.21 2.92 1.01 -1.20 -0.39 120.40 123.42 1x5a s VAL 77 Ca 0.40 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1x5a s VAL 77 Cb -0.20 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.53 1x5a s VAL 77 CO 0.23 0.06 0.47 0.00 0.00 0.00 0.00 175.10 175.86 1x5a s ARG 78 N -0.70 0.40 0.03 2.72 1.70 -0.83 -3.46 118.95 118.81 1x5a s ARG 78 Ca 0.01 1.06 0.06 0.00 -0.47 0.00 0.00 55.73 56.39 1x5a s ARG 78 Cb -0.06 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1x5a s ARG 78 CO 0.00 -0.22 -0.16 0.54 -1.08 0.00 0.00 175.30 174.38 1x5a s VAL 79 N 2.32 2.92 -0.03 4.99 0.11 -1.26 -1.81 120.40 127.64 1x5a s VAL 79 Ca -0.05 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 57.90 1x5a s VAL 79 Cb -0.11 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1x5a s VAL 79 CO -0.14 0.37 0.06 0.00 -3.33 0.00 0.00 175.10 172.06 1x5a s ARG 80 N -1.37 0.02 0.02 1.54 1.04 -0.79 -3.58 118.95 115.82 1x5a s ARG 80 Ca 0.15 0.20 -0.30 0.00 -1.04 0.00 0.00 55.73 54.73 1x5a s ARG 80 Cb -0.11 -0.16 -0.06 0.00 -2.04 0.00 0.00 34.95 32.59 1x5a s ARG 80 CO 0.05 -0.12 1.42 0.99 -0.04 0.00 0.00 175.30 177.60 1x5a s THR 81 N 0.80 3.61 0.17 4.99 2.01 -1.26 -1.56 115.64 124.40 1x5a s THR 81 Ca -0.06 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.69 1x5a s THR 81 Cb -0.09 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 1x5a s THR 81 CO -0.03 0.01 0.83 -0.76 -0.69 0.00 0.00 174.62 173.98 1x5a s LEU 82 N 2.26 4.59 0.07 4.42 1.43 -1.18 -2.75 118.68 127.51 1x5a s LEU 82 Ca 0.65 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 1x5a s LEU 82 Cb -0.33 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1x5a s LEU 82 CO 0.27 0.15 -0.10 0.42 0.23 0.00 0.00 176.35 177.33 1x5a s THR 83 N -0.95 0.83 0.20 5.49 -4.23 -1.26 -4.57 115.64 111.15 1x5a s THR 83 Ca 0.38 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 1x5a s THR 83 Cb -0.24 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1x5a s THR 83 CO 0.28 -0.41 1.56 1.55 -0.54 0.00 0.00 174.62 177.05 1x5a h PRO 84 N 4.08 0.64 -3.47 3.99 0.13 -2.01 -3.37 132.00 131.98 1x5a h PRO 84 Ca -0.38 -0.34 -0.63 0.00 -0.87 0.00 0.00 66.00 63.79 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 0.94 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.95 1x5a s LEU 85 N -8.57 3.53 0.00 1.56 1.43 -1.26 -4.91 118.68 110.46 1x5a s LEU 85 Ca -0.08 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.46 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 0.84 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1x5a n GLY 86 N 3.68 -1.39 3.77 -3.19 0.00 -1.26 -5.04 105.19 101.76 1x5a n GLY 86 Ca 0.05 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.56 3.20 0.77 1.61 0.04 -1.26 -4.71 135.00 134.10 1x5a s PRO 87 Ca 0.00 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 1x5a s PRO 87 Cb 0.00 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1x5a s PRO 87 CO 0.00 -0.96 1.08 0.20 0.04 0.00 0.00 177.00 177.37 1x5a s GLY 88 N -2.01 1.67 1.06 0.56 0.00 -1.11 -4.94 107.32 102.55 1x5a s GLY 88 Ca 0.71 0.19 -0.14 0.00 0.00 0.00 0.00 44.72 45.48 1x5a s GLY 88 CO 0.31 0.54 1.10 2.56 0.00 0.00 0.00 173.10 177.61 1x5a s PRO 89 N -4.94 -0.08 -0.25 2.90 0.04 -1.26 -4.76 135.00 126.64 1x5a s PRO 89 Ca 0.61 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1x5a s PRO 89 Cb -0.16 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1x5a s PRO 89 CO 0.56 -3.04 0.54 -0.06 0.04 0.00 0.00 177.00 175.04 1x5a s PHE 90 N -2.98 3.28 0.75 0.56 0.08 -1.26 -4.59 117.98 113.82 1x5a s PHE 90 Ca 0.67 0.70 -0.17 0.00 0.12 0.00 0.00 56.93 58.24 1x5a s PHE 90 Cb -0.16 -2.74 -0.15 0.00 -0.57 0.00 0.00 43.02 39.39 1x5a s PHE 90 CO 0.57 -0.27 -0.46 -1.13 -0.10 0.00 0.00 175.22 173.84 1x5a n SER 91 N 5.49 -4.82 -4.75 1.36 3.41 -1.24 -4.84 113.62 108.24 1x5a n SER 91 Ca -0.03 0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 58.59 1x5a n SER 91 Cb 0.50 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.52 4.42 -0.45 4.33 0.04 -1.26 -4.84 135.00 135.73 1x5a s PRO 92 Ca 0.49 2.05 -0.41 0.00 0.04 0.00 0.00 61.00 63.16 1x5a s PRO 92 Cb -0.34 -3.17 -0.18 0.00 0.04 0.00 0.00 34.50 30.86 1x5a s PRO 92 CO 0.74 -0.16 1.64 -0.40 0.04 0.00 0.00 177.00 178.86 1x5a n ASP 93 N 1.97 0.93 -4.46 6.66 5.68 -1.26 -4.88 116.55 121.18 1x5a n ASP 93 Ca 0.03 0.89 -0.40 0.00 -0.50 0.00 0.00 54.79 54.82 1x5a n ASP 93 Cb 0.43 -0.80 -0.11 0.00 -1.14 0.00 0.00 41.12 39.50 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 3.78 3.21 -0.59 2.11 3.76 -1.22 -5.01 115.29 121.33 1x5a s HIS 94 Ca 1.00 -0.51 -0.28 0.00 -0.15 0.00 0.00 55.06 55.12 1x5a s HIS 94 Cb -1.35 -2.42 0.02 0.00 1.11 0.00 0.00 32.58 29.94 1x5a s HIS 94 CO 0.68 -0.46 1.28 -1.21 -0.85 0.00 0.00 174.74 174.18 1x5a s GLU 95 N 1.64 3.41 0.04 1.40 2.02 -1.26 -3.27 118.70 122.68 1x5a s GLU 95 Ca 0.05 0.26 0.05 0.00 0.02 0.00 0.00 54.97 55.35 1x5a s GLU 95 Cb -0.18 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.95 1x5a s GLU 95 CO 0.08 -1.82 -0.10 -0.06 0.02 0.00 0.00 175.26 173.38 1x5a s PHE 96 N 5.41 2.77 -0.09 1.61 0.08 -1.17 -5.01 117.98 121.57 1x5a s PHE 96 Ca 0.45 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.39 1x5a s PHE 96 Cb -0.09 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1x5a s PHE 96 CO 0.24 0.36 -0.12 0.50 -0.10 0.00 0.00 175.22 176.10 1x5a s ARG 97 N -1.64 1.80 0.86 0.44 3.52 -1.26 -1.04 118.95 121.62 1x5a s ARG 97 Ca 0.18 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 1x5a s ARG 97 Cb -0.11 -1.58 0.10 0.00 -1.56 0.00 0.00 34.95 31.81 1x5a s ARG 97 CO 0.09 -0.07 1.09 0.95 -0.81 0.00 0.00 175.30 176.55 1x5a s THR 98 N 0.99 2.84 0.45 4.11 -4.23 -1.08 -4.90 115.64 113.83 1x5a s THR 98 Ca -0.08 0.27 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 1x5a s THR 98 Cb -0.15 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.78 1x5a s THR 98 CO -0.00 -0.36 1.43 -0.55 -0.54 0.00 0.00 174.62 174.60 1x5a s SER 99 N -3.55 5.84 0.43 3.99 0.15 -1.02 -3.61 113.70 115.94 1x5a s SER 99 Ca 0.62 2.93 -0.24 0.00 0.70 0.00 0.00 55.95 59.96 1x5a s SER 99 Cb -0.17 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.41 1x5a s SER 99 CO 0.56 -1.20 1.18 -2.16 1.20 0.00 0.00 173.24 172.82 1x5a s PRO 100 N -2.47 3.91 1.23 5.44 0.04 -1.26 -1.95 135.00 139.93 1x5a s PRO 100 Ca 0.61 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 1x5a s PRO 100 Cb -0.44 -2.55 0.30 0.00 0.04 0.00 0.00 34.50 31.85 1x5a s PRO 100 CO 0.56 -0.44 1.11 -1.25 0.04 0.00 0.00 177.00 177.02 1x5a s PRO 101 N -2.48 -1.45 -0.46 0.56 0.04 -1.26 -4.82 135.00 125.13 1x5a s PRO 101 Ca 0.60 -0.15 -0.44 0.00 0.04 0.00 0.00 61.00 61.06 1x5a s PRO 101 Cb -0.30 -1.58 -0.18 0.00 0.04 0.00 0.00 34.50 32.48 1x5a s PRO 101 CO 0.37 -3.85 1.95 -1.13 0.04 0.00 0.00 177.00 174.39 1x5a n SER 102 N -4.84 1.19 0.00 6.66 3.41 -1.26 -4.60 113.62 114.18 1x5a n SER 102 Ca 0.14 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 1x5a n SER 102 Cb 0.60 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 103 N 6.07 0.59 0.00 5.00 0.00 -1.26 -5.00 105.19 110.59 1x5a n GLY 103 Ca 0.44 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.53 1x5a n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5a n PRO 104 N 0.00 0.49 -0.94 1.61 -0.04 -1.26 -4.89 135.00 129.97 1x5a n PRO 104 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1x5a n PRO 104 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1x5a n PRO 104 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5a n SER 105 N -1.00 -2.90 -4.16 3.54 7.64 -1.26 -4.89 113.62 110.60 1x5a n SER 105 Ca 0.12 0.48 -0.39 0.00 1.01 0.00 0.00 58.87 60.09 1x5a n SER 105 Cb 0.05 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 1x5a n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5a s SER 106 N -0.76 5.55 0.00 6.43 0.15 -1.26 -5.22 113.70 118.59 1x5a s SER 106 Ca 0.43 -2.33 0.28 0.00 0.70 0.00 0.00 55.95 55.02 1x5a s SER 106 Cb -0.37 -1.94 1.09 0.00 -1.71 0.00 0.00 66.02 63.10 1x5a s SER 106 CO 0.51 -0.54 1.77 0.61 1.20 0.00 0.00 173.24 176.79