#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dba s ILE 2 N 0.00 4.98 0.00 -0.39 1.01 -1.26 -4.76 121.20 120.78 1dba s ILE 2 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 1dba s ILE 2 Cb 0.00 -3.33 0.09 0.00 0.01 0.00 0.00 42.46 39.23 1dba s ILE 2 CO 0.00 0.32 0.80 0.00 0.00 0.00 0.00 174.94 176.06 1dba s GLN 3 N 1.39 0.94 -0.22 2.79 -2.07 -0.56 -5.02 119.66 116.90 1dba s GLN 3 Ca 0.06 -0.19 -0.11 0.00 -1.82 0.00 0.00 55.36 53.31 1dba s GLN 3 Cb -0.15 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1dba s GLN 3 CO 0.06 -0.38 0.17 -0.51 -1.32 0.00 0.00 175.29 173.31 1dba s LEU 4 N -2.13 4.16 -0.11 2.60 1.43 -1.26 -1.74 118.68 121.63 1dba s LEU 4 Ca 0.00 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1dba s LEU 4 Cb -0.01 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1dba s LEU 4 CO -0.05 0.11 -0.20 0.54 0.23 0.00 0.00 176.35 176.97 1dba s VAL 5 N 0.77 2.45 0.17 -1.59 0.11 0.80 -4.27 120.40 118.83 1dba s VAL 5 Ca 0.09 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1dba s VAL 5 Cb -0.13 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.71 1dba s VAL 5 CO 0.02 0.55 -0.07 -1.10 -3.33 0.00 0.00 175.10 171.16 1dba s GLN 6 N 0.31 2.15 1.11 1.54 -0.21 -1.26 -0.72 119.66 122.58 1dba s GLN 6 Ca -0.15 -1.19 -0.12 0.00 0.02 0.00 0.00 55.36 53.92 1dba s GLN 6 Cb -0.17 -2.23 0.25 0.00 1.00 0.00 0.00 33.01 31.86 1dba s GLN 6 CO 0.07 0.45 1.05 -1.12 -2.12 0.00 0.00 175.29 173.63 1dba s SER 7 N -2.75 1.45 1.02 5.90 0.01 -1.22 -4.94 113.70 113.17 1dba s SER 7 Ca 0.25 1.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.88 1dba s SER 7 Cb -0.09 -2.26 0.22 0.00 0.21 0.00 0.00 66.02 64.09 1dba s SER 7 CO 0.16 -3.91 1.24 0.61 0.41 0.00 0.00 173.24 171.74 1dba n GLY 8 N 0.41 -1.62 3.78 3.44 0.00 -1.26 -4.60 105.19 105.34 1dba n GLY 8 Ca 0.04 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1dba n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dba s PRO 9 N -5.71 4.52 0.30 1.61 0.04 -1.26 -4.74 135.00 129.75 1dba s PRO 9 Ca 0.71 1.38 0.08 0.00 0.04 0.00 0.00 61.00 63.20 1dba s PRO 9 Cb -0.02 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1dba s PRO 9 CO 0.50 0.21 0.21 -1.21 0.04 0.00 0.00 177.00 176.75 1dba s GLU 10 N -2.10 2.73 -0.17 4.56 0.41 -1.12 -5.01 118.70 118.00 1dba s GLU 10 Ca 0.51 -1.23 -0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1dba s GLU 10 Cb -0.20 -2.45 0.05 0.00 -1.78 0.00 0.00 34.13 29.75 1dba s GLU 10 CO 0.25 0.25 0.03 -1.17 -0.49 0.00 0.00 175.26 174.13 1dba s LEU 11 N -3.89 1.03 0.28 1.80 2.96 -1.26 -2.76 118.68 116.84 1dba s LEU 11 Ca 0.36 -0.66 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1dba s LEU 11 Cb -0.06 -0.55 -0.06 0.00 0.50 0.00 0.00 46.19 46.01 1dba s LEU 11 CO 0.25 -0.28 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.42 1dba s LYS 12 N 1.89 1.55 0.01 1.98 3.01 -0.91 -5.03 119.74 122.25 1dba s LYS 12 Ca 0.00 -1.80 -0.07 0.00 -1.01 0.00 0.00 55.97 53.10 1dba s LYS 12 Cb -0.16 -1.06 -0.05 0.00 -1.01 0.00 0.00 37.83 35.56 1dba s LYS 12 CO -0.07 -0.02 0.27 0.15 0.51 0.00 0.00 175.35 176.19 1dba s LYS 13 N -3.77 3.59 -0.27 1.68 3.01 -1.25 -1.59 119.74 121.14 1dba s LYS 13 Ca 0.30 -0.06 -0.37 0.00 -1.01 0.00 0.00 55.97 54.83 1dba s LYS 13 Cb 0.05 -3.08 -0.13 0.00 -1.01 0.00 0.00 37.83 33.66 1dba s LYS 13 CO 0.12 0.65 1.94 -2.30 0.51 0.00 0.00 175.35 176.27 1dba n PRO 14 N 1.12 1.31 0.00 -1.68 -0.02 -1.26 -1.92 135.00 132.55 1dba n PRO 14 Ca -0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1dba n PRO 14 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1dba n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dba n GLY 15 N 5.15 1.71 0.00 -1.23 0.00 0.34 -4.91 105.19 106.25 1dba n GLY 15 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1dba n GLY 15 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dba n GLU 16 N 0.00 1.45 -4.18 1.61 0.00 -0.81 -4.37 120.64 114.34 1dba n GLU 16 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 1dba n GLU 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1dba n GLU 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1dba s THR 17 N 0.76 0.75 0.00 6.31 -4.23 -1.26 -2.31 115.64 115.66 1dba s THR 17 Ca 0.00 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1dba s THR 17 Cb 0.00 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 1dba s THR 17 CO 0.00 -0.85 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.46 1dba s VAL 18 N -3.59 0.65 -0.25 2.29 1.01 0.03 -4.96 120.40 115.58 1dba s VAL 18 Ca 0.13 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1dba s VAL 18 Cb 0.05 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1dba s VAL 18 CO -0.04 0.10 -0.09 -0.75 0.00 0.00 0.00 175.10 174.32 1dba s LYS 19 N -0.41 2.55 -0.01 2.72 2.47 -1.26 -0.80 119.74 124.99 1dba s LYS 19 Ca 0.02 -1.16 -0.12 0.00 -1.56 0.00 0.00 55.97 53.15 1dba s LYS 19 Cb -0.04 -2.92 -0.05 0.00 -1.46 0.00 0.00 37.83 33.36 1dba s LYS 19 CO -0.00 -0.48 0.34 0.42 0.16 0.00 0.00 175.35 175.80 1dba s ILE 20 N 1.22 5.15 0.39 5.43 1.01 0.12 -4.95 121.20 129.57 1dba s ILE 20 Ca -0.04 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.28 1dba s ILE 20 Cb -0.18 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 1dba s ILE 20 CO -0.05 0.52 0.10 -0.94 0.00 0.00 0.00 174.94 174.56 1dba s SER 21 N -1.25 4.25 -0.33 3.58 1.04 -1.26 -2.08 113.70 117.66 1dba s SER 21 Ca 0.24 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1dba s SER 21 Cb -0.15 -0.49 0.19 0.00 0.10 0.00 0.00 66.02 65.67 1dba s SER 21 CO 0.13 -0.42 0.59 0.00 0.98 0.00 0.00 173.24 174.51 1dba s LYS 23 N 2.48 3.95 -0.16 0.00 0.00 0.10 -0.67 119.74 125.44 1dba s LYS 23 Ca 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 55.97 55.76 1dba s LYS 23 Cb -0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 37.83 34.43 1dba s LYS 23 CO -0.20 0.37 0.06 0.00 0.00 0.00 0.00 175.35 175.59 1dba s ALA 24 N 0.11 3.43 0.01 0.59 0.00 -1.07 -0.14 121.76 124.69 1dba s ALA 24 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1dba s ALA 24 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1dba s ALA 24 CO -0.00 0.29 -0.02 -1.54 0.00 0.00 0.00 175.76 174.49 1dba s SER 25 N 0.02 0.19 0.00 0.00 1.04 -0.71 -4.88 113.70 109.37 1dba s SER 25 Ca 0.06 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1dba s SER 25 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1dba s SER 25 CO 0.01 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1dba n GLY 26 N 2.51 0.80 3.16 7.32 0.00 -1.26 -1.49 105.19 116.22 1dba n GLY 26 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1dba n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dba s TYR 27 N -2.00 0.89 -0.75 1.61 1.13 -1.26 -4.93 117.35 112.04 1dba s TYR 27 Ca 0.00 -1.14 -0.26 0.00 -1.41 0.00 0.00 57.07 54.26 1dba s TYR 27 Cb 0.00 -0.52 0.01 0.00 -1.10 0.00 0.00 41.96 40.35 1dba s TYR 27 CO 0.00 -0.40 1.59 0.00 -2.51 0.00 0.00 175.55 174.23 1dba s ALA 28 N -3.91 2.41 0.40 9.51 0.00 -1.26 -4.82 121.76 124.09 1dba s ALA 28 Ca 0.21 -1.25 0.21 0.00 0.00 0.00 0.00 51.96 51.13 1dba s ALA 28 Cb 0.07 -4.35 1.19 0.00 0.00 0.00 0.00 23.12 20.03 1dba s ALA 28 CO 0.00 -3.73 1.70 0.35 0.00 0.00 0.00 175.76 174.08 1dba h PHE 29 N 11.91 0.68 -0.01 0.00 3.57 -1.95 0.22 116.94 131.36 1dba h PHE 29 Ca -0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1dba h PHE 29 Cb 1.08 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dba h PHE 29 CO 1.13 -0.07 -0.13 0.25 -2.23 0.00 0.00 178.31 177.26 1dba n THR 30 N -4.74 0.00 0.89 4.41 -2.24 -1.26 -3.66 114.28 107.68 1dba n THR 30 Ca 0.30 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1dba n THR 30 Cb 1.06 0.42 0.30 0.00 -2.10 0.00 0.00 70.33 70.02 1dba n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dba n ASN 31 N -0.29 2.30 -3.88 3.42 5.03 0.07 -4.33 115.26 117.58 1dba n ASN 31 Ca 0.15 -1.83 -0.10 0.00 0.87 0.00 0.00 54.58 53.68 1dba n ASN 31 Cb 0.35 -0.16 -0.09 0.00 -1.02 0.00 0.00 39.78 38.85 1dba n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1dba s TYR 32 N -1.67 0.12 0.37 3.10 2.02 -1.24 -4.75 117.35 115.29 1dba s TYR 32 Ca 0.34 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1dba s TYR 32 Cb 0.19 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.62 1dba s TYR 32 CO 0.27 -0.38 0.65 0.20 -1.57 0.00 0.00 175.55 174.72 1dba s GLY 33 N -2.00 1.69 -0.22 0.71 0.00 0.45 -4.46 107.32 103.49 1dba s GLY 33 Ca -0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.04 1dba s GLY 33 CO -0.03 -0.41 0.07 0.14 0.00 0.00 0.00 173.10 172.87 1dba s VAL 34 N -2.34 4.60 0.15 1.40 1.01 -1.07 -0.04 120.40 124.12 1dba s VAL 34 Ca 0.45 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1dba s VAL 34 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1dba s VAL 34 CO 0.35 0.40 0.06 0.20 0.00 0.00 0.00 175.10 176.10 1dba s ASN 35 N 0.98 5.14 -0.13 3.32 0.02 -0.33 -1.14 114.94 122.80 1dba s ASN 35 Ca 0.04 -0.24 0.01 0.00 -1.02 0.00 0.00 52.86 51.65 1dba s ASN 35 Cb -0.14 -1.24 -0.00 0.00 0.02 0.00 0.00 41.25 39.89 1dba s ASN 35 CO 0.03 0.10 -0.17 0.26 0.02 0.00 0.00 177.10 177.34 1dba s TRP 36 N -1.65 2.73 -0.04 2.20 0.52 -0.37 -1.09 118.94 121.24 1dba s TRP 36 Ca 0.29 -0.94 0.06 0.00 0.02 0.00 0.00 56.10 55.52 1dba s TRP 36 Cb -0.10 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1dba s TRP 36 CO 0.21 -0.39 -0.21 0.08 0.02 0.00 0.00 176.95 176.65 1dba s VAL 37 N 0.57 1.74 -0.27 4.03 1.01 -0.16 -0.41 120.40 126.92 1dba s VAL 37 Ca -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1dba s VAL 37 Cb -0.16 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1dba s VAL 37 CO 0.04 0.49 -0.00 -0.75 0.00 0.00 0.00 175.10 174.87 1dba s LYS 38 N -0.25 2.91 -0.52 2.72 2.20 -0.06 -0.93 119.74 125.81 1dba s LYS 38 Ca 0.01 -0.95 -0.16 0.00 -0.36 0.00 0.00 55.97 54.51 1dba s LYS 38 Cb -0.11 -3.14 0.11 0.00 -1.51 0.00 0.00 37.83 33.18 1dba s LYS 38 CO 0.01 -0.43 0.49 -2.00 -0.36 0.00 0.00 175.35 173.06 1dba s GLU 39 N 1.39 3.00 0.28 4.03 2.12 -0.33 -1.72 118.70 127.46 1dba s GLU 39 Ca 0.01 -1.55 -0.07 0.00 0.36 0.00 0.00 54.97 53.72 1dba s GLU 39 Cb -0.17 -4.24 -0.06 0.00 0.26 0.00 0.00 34.13 29.92 1dba s GLU 39 CO -0.02 -1.25 0.58 0.00 -0.54 0.00 0.00 175.26 174.03 1dba s ALA 40 N 1.73 3.57 -0.30 6.30 0.00 -1.26 -2.12 121.76 129.68 1dba s ALA 40 Ca 0.04 -0.41 -0.40 0.00 0.00 0.00 0.00 51.96 51.19 1dba s ALA 40 Cb -0.28 -2.40 -0.15 0.00 0.00 0.00 0.00 23.12 20.30 1dba s ALA 40 CO 0.05 0.32 1.80 -0.35 0.00 0.00 0.00 175.76 177.58 1dba n PRO 41 N -0.67 1.10 -3.11 0.00 -0.04 -1.26 -2.01 135.00 129.00 1dba n PRO 41 Ca -0.00 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.66 1dba n PRO 41 Cb 0.53 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.87 1dba n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dba n GLY 42 N 4.55 -0.48 3.43 0.55 0.00 -1.26 -4.92 105.19 107.06 1dba n GLY 42 Ca 0.29 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 1dba n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dba s LYS 43 N -5.73 1.56 0.82 1.61 -0.14 -0.85 -5.13 119.74 111.87 1dba s LYS 43 Ca 0.28 -1.66 -0.16 0.00 -1.36 0.00 0.00 55.97 53.08 1dba s LYS 43 Cb -0.15 -1.65 -0.08 0.00 -1.68 0.00 0.00 37.83 34.26 1dba s LYS 43 CO 0.35 0.32 -0.04 0.39 -0.76 0.00 0.00 175.35 175.60 1dba n GLU 44 N -0.30 0.03 -2.20 1.68 -0.58 -1.26 -4.43 120.64 113.57 1dba n GLU 44 Ca -0.08 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.27 1dba n GLU 44 Cb 0.59 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1dba n GLU 44 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1dba s LEU 45 N 3.19 4.19 -0.34 -4.62 2.96 -1.26 -4.24 118.68 118.56 1dba s LEU 45 Ca 0.54 1.89 -0.03 0.00 -0.22 0.00 0.00 54.13 56.31 1dba s LEU 45 Cb -0.29 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 42.93 1dba s LEU 45 CO 0.69 -0.92 0.08 -0.75 -1.32 0.00 0.00 176.35 174.13 1dba s LYS 46 N 3.93 2.35 0.31 1.98 2.47 -0.70 -4.97 119.74 125.11 1dba s LYS 46 Ca 0.65 -1.40 -0.29 0.00 -1.56 0.00 0.00 55.97 53.37 1dba s LYS 46 Cb -0.27 -3.35 -0.12 0.00 -1.46 0.00 0.00 37.83 32.64 1dba s LYS 46 CO 0.23 -0.75 1.55 1.87 0.16 0.00 0.00 175.35 178.41 1dba n TRP 47 N 4.65 2.83 -0.09 4.03 -0.00 -1.26 -0.89 117.44 126.72 1dba n TRP 47 Ca -0.10 0.32 -0.14 0.00 -0.00 0.00 0.00 57.50 57.58 1dba n TRP 47 Cb 0.43 -2.57 -0.05 0.00 -0.00 0.00 0.00 31.31 29.13 1dba n TRP 47 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1dba n MET 48 N 1.65 0.47 -3.82 5.87 2.81 0.45 -4.85 117.12 119.69 1dba n MET 48 Ca 0.07 0.19 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 1dba n MET 48 Cb 0.37 -1.31 0.01 0.00 -0.71 0.00 0.00 33.22 31.58 1dba n MET 48 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dba s GLY 49 N -5.02 -0.34 0.02 3.03 0.00 -1.22 -0.87 107.32 102.91 1dba s GLY 49 Ca -0.28 0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1dba s GLY 49 CO 0.38 3.93 -0.04 0.86 0.00 0.00 0.00 173.10 178.23 1dba s TRP 50 N -2.02 0.37 -0.09 1.90 -0.00 -0.24 -1.24 118.94 117.62 1dba s TRP 50 Ca 0.25 -0.45 0.03 0.00 -0.00 0.00 0.00 56.10 55.93 1dba s TRP 50 Cb 0.03 -0.24 0.01 0.00 -0.00 0.00 0.00 33.47 33.27 1dba s TRP 50 CO -0.05 -0.13 -0.19 -1.50 -0.00 0.00 0.00 176.95 175.08 1dba s ILE 51 N -1.23 1.71 -0.30 5.86 1.10 -0.29 -0.12 121.20 127.94 1dba s ILE 51 Ca -0.12 -0.81 -0.21 0.00 -0.51 0.00 0.00 60.65 59.00 1dba s ILE 51 Cb -0.09 -1.51 -0.01 0.00 0.15 0.00 0.00 42.46 41.01 1dba s ILE 51 CO -0.00 0.48 0.67 0.21 -2.11 0.00 0.00 174.94 174.19 1dba s ASN 52 N 0.50 6.55 0.34 4.50 3.04 -0.13 -2.58 114.94 127.16 1dba s ASN 52 Ca -0.16 0.54 0.13 0.00 0.04 0.00 0.00 52.86 53.40 1dba s ASN 52 Cb -0.17 -2.35 0.62 0.00 -1.54 0.00 0.00 41.25 37.81 1dba s ASN 52 CO 0.06 -0.50 1.76 0.40 -3.04 0.00 0.00 177.10 175.79 1dba h ILE 52 N 5.53 1.28 0.00 -5.21 1.08 -1.85 0.40 117.51 118.74 1dba h ILE 52 Ca -0.26 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 1dba h ILE 52 Cb 1.11 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1dba h ILE 52 CO 0.82 0.43 0.00 -1.22 -0.69 0.00 0.00 178.15 177.49 1dba n TYR 53 N -3.95 0.00 -0.14 1.37 4.01 -1.26 -3.89 117.16 113.30 1dba n TYR 53 Ca -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.69 1dba n TYR 53 Cb 0.48 -0.11 0.04 0.00 -0.31 0.00 0.00 39.34 39.44 1dba n TYR 53 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1dba h THR 54 N 0.00 0.63 0.00 -0.72 1.35 -1.98 -3.46 112.91 108.73 1dba h THR 54 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1dba h THR 54 Cb 0.00 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1dba h THR 54 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1dba n GLY 55 N -1.30 1.01 3.70 5.82 0.00 0.14 -5.09 105.19 109.47 1dba n GLY 55 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1dba n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dba s GLU 56 N -0.38 3.84 0.55 1.61 2.12 -1.18 -4.78 118.70 120.47 1dba s GLU 56 Ca 0.00 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 1dba s GLU 56 Cb 0.00 -3.21 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1dba s GLU 56 CO 0.00 0.41 0.83 -1.25 -0.54 0.00 0.00 175.26 174.70 1dba s PRO 57 N 0.01 2.87 -0.01 4.30 0.04 -1.26 -0.96 135.00 139.99 1dba s PRO 57 Ca 0.07 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 60.87 1dba s PRO 57 Cb -0.12 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.06 1dba s PRO 57 CO 0.00 -0.61 -0.02 0.99 0.04 0.00 0.00 177.00 177.41 1dba s THR 58 N -2.85 0.23 -0.11 1.26 2.01 0.83 -4.94 115.64 112.07 1dba s THR 58 Ca 0.53 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1dba s THR 58 Cb -0.10 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1dba s THR 58 CO 0.42 0.10 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.02 1dba s TYR 59 N 0.37 2.80 0.24 4.92 2.02 -1.26 -1.08 117.35 125.35 1dba s TYR 59 Ca -0.04 -0.50 -0.31 0.00 -0.37 0.00 0.00 57.07 55.86 1dba s TYR 59 Cb -0.06 -1.80 -0.10 0.00 -0.40 0.00 0.00 41.96 39.59 1dba s TYR 59 CO -0.01 -0.10 1.53 0.54 -1.57 0.00 0.00 175.55 175.94 1dba s VAL 60 N 0.09 2.47 0.09 0.71 0.11 -0.05 -4.81 120.40 119.00 1dba s VAL 60 Ca -0.05 0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 1dba s VAL 60 Cb -0.15 -3.24 0.13 0.00 -1.53 0.00 0.00 36.38 31.60 1dba s VAL 60 CO 0.04 0.05 0.49 0.47 -3.33 0.00 0.00 175.10 172.83 1dba n ASP 61 N 2.81 -0.13 -0.16 3.54 9.92 -1.26 -0.55 116.55 130.72 1dba n ASP 61 Ca 0.09 0.55 -0.03 0.00 -0.53 0.00 0.00 54.79 54.87 1dba n ASP 61 Cb 0.39 -0.16 0.03 0.00 -0.64 0.00 0.00 41.12 40.74 1dba n ASP 61 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1dba h ASP 62 N 0.00 -0.55 -0.27 -2.24 3.32 -1.91 -1.65 116.42 113.12 1dba h ASP 62 Ca 0.15 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1dba h ASP 62 Cb 0.22 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1dba h ASP 62 CO -0.32 -0.19 0.05 0.49 -1.72 0.00 0.00 179.24 177.54 1dba n PHE 63 N -5.38 0.93 -1.47 4.55 3.01 0.29 -4.91 117.46 114.47 1dba n PHE 63 Ca 0.04 -0.44 -0.18 0.00 1.01 0.00 0.00 57.45 57.89 1dba n PHE 63 Cb 0.28 -0.32 0.13 0.00 -0.01 0.00 0.00 39.48 39.56 1dba n PHE 63 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1dba n LYS 64 N 0.18 -0.93 0.00 -1.08 5.02 -0.62 -2.86 118.16 117.86 1dba n LYS 64 Ca 0.14 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 1dba n LYS 64 Cb 0.70 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1dba n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dba n GLY 65 N -0.35 2.00 0.10 0.72 0.00 -1.26 -4.08 105.19 102.32 1dba n GLY 65 Ca 0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1dba n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dba n ARG 66 N 0.00 0.62 -3.49 1.61 1.74 -1.26 -4.91 116.66 110.97 1dba n ARG 66 Ca 0.00 0.15 -0.37 0.00 -0.77 0.00 0.00 57.85 56.85 1dba n ARG 66 Cb 0.00 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.58 1dba n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1dba s PHE 67 N -3.17 3.58 -0.21 -1.55 0.40 -1.13 -4.35 117.98 111.55 1dba s PHE 67 Ca -0.02 0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 57.09 1dba s PHE 67 Cb 0.09 -2.35 0.07 0.00 0.51 0.00 0.00 43.02 41.34 1dba s PHE 67 CO 0.81 0.40 0.06 0.00 0.70 0.00 0.00 175.22 177.18 1dba s ALA 68 N -0.14 0.88 0.41 5.36 0.00 0.10 -4.79 121.76 123.58 1dba s ALA 68 Ca 0.21 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.25 1dba s ALA 68 Cb -0.15 -1.20 -0.11 0.00 0.00 0.00 0.00 23.12 21.67 1dba s ALA 68 CO 0.09 -1.25 0.93 -0.06 0.00 0.00 0.00 175.76 175.47 1dba s PHE 69 N 1.92 3.36 0.00 0.00 0.08 -1.26 -0.85 117.98 121.24 1dba s PHE 69 Ca 0.01 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.67 1dba s PHE 69 Cb -0.17 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 1dba s PHE 69 CO -0.12 -0.05 0.00 -1.13 -0.10 0.00 0.00 175.22 173.82 1dba n SER 70 N -0.46 0.00 -3.64 1.36 3.41 -0.06 -4.97 113.62 109.26 1dba n SER 70 Ca 0.06 -0.91 -0.07 0.00 -0.26 0.00 0.00 58.87 57.69 1dba n SER 70 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1dba n SER 70 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1dba s LEU 71 N 0.00 -0.70 -0.70 1.04 0.20 -1.26 -1.87 118.68 115.39 1dba s LEU 71 Ca 0.00 1.18 0.04 0.00 0.69 0.00 0.00 54.13 56.04 1dba s LEU 71 Cb 0.00 2.12 0.30 0.00 -0.43 0.00 0.00 46.19 48.18 1dba s LEU 71 CO 0.00 -0.19 1.02 1.21 -0.29 0.00 0.00 176.35 178.09 1dba n GLU 72 N 3.50 3.32 -0.26 1.98 2.13 0.14 -4.95 120.64 126.50 1dba n GLU 72 Ca -0.17 -4.74 0.16 0.00 0.66 0.00 0.00 57.16 53.07 1dba n GLU 72 Cb 0.57 -2.30 0.45 0.00 0.27 0.00 0.00 31.44 30.43 1dba n GLU 72 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1dba h THR 73 N 3.02 0.73 -0.91 6.31 2.02 -1.95 0.97 112.91 123.11 1dba h THR 73 Ca 0.21 -0.18 0.23 0.00 0.77 0.00 0.00 66.41 67.43 1dba h THR 73 Cb 0.56 0.16 -0.16 0.00 -1.74 0.00 0.00 68.15 66.96 1dba h THR 73 CO 0.92 0.10 -0.01 0.77 0.37 0.00 0.00 175.52 177.67 1dba h SER 74 N 0.53 -0.47 -0.20 4.18 4.64 -1.96 -0.63 113.55 119.64 1dba h SER 74 Ca 0.47 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1dba h SER 74 Cb 0.98 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1dba h SER 74 CO -0.21 -0.28 0.00 0.00 -0.87 0.00 0.00 176.83 175.47 1dba n ALA 75 N -3.11 2.44 -3.15 5.18 0.00 0.29 -5.00 120.51 117.15 1dba n ALA 75 Ca 0.19 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.66 1dba n ALA 75 Cb 0.63 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 19.35 1dba n ALA 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dba n SER 76 N 1.35 -3.10 -3.68 0.00 2.88 0.12 -4.91 113.62 106.28 1dba n SER 76 Ca 0.16 -0.55 -0.14 0.00 -1.33 0.00 0.00 58.87 57.01 1dba n SER 76 Cb 0.58 -4.45 -0.14 0.00 -0.75 0.00 0.00 64.21 59.45 1dba n SER 76 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1dba s THR 77 N -3.31 -0.29 0.48 2.46 2.01 -1.23 -2.60 115.64 113.16 1dba s THR 77 Ca 0.11 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1dba s THR 77 Cb -0.01 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1dba s THR 77 CO 0.62 0.12 0.86 0.00 -0.69 0.00 0.00 174.62 175.52 1dba s ALA 78 N 2.15 3.28 0.00 7.40 0.00 0.16 -0.68 121.76 134.06 1dba s ALA 78 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 1dba s ALA 78 Cb -0.12 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 1dba s ALA 78 CO -0.07 -0.28 0.11 0.71 0.00 0.00 0.00 175.76 176.23 1dba s TYR 79 N -2.67 0.08 -0.03 0.00 2.02 -0.78 -1.54 117.35 114.42 1dba s TYR 79 Ca 0.52 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 57.09 1dba s TYR 79 Cb -0.10 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 1dba s TYR 79 CO 0.40 -0.26 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.72 1dba s LEU 80 N -1.36 2.03 -0.01 -1.29 0.20 -0.88 -0.88 118.68 116.49 1dba s LEU 80 Ca -0.15 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.26 1dba s LEU 80 Cb -0.08 -1.18 -0.00 0.00 -0.43 0.00 0.00 46.19 44.50 1dba s LEU 80 CO 0.01 0.25 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.58 1dba s GLU 81 N -0.34 0.34 0.36 1.98 2.12 -0.03 -0.70 118.70 122.43 1dba s GLU 81 Ca 0.04 -0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1dba s GLU 81 Cb -0.10 -0.34 -0.06 0.00 0.26 0.00 0.00 34.13 33.89 1dba s GLU 81 CO 0.01 0.08 0.06 0.42 -0.54 0.00 0.00 175.26 175.28 1dba s ILE 82 N -0.03 1.18 -0.47 -3.70 1.01 0.01 0.03 121.20 119.24 1dba s ILE 82 Ca 0.01 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.63 1dba s ILE 82 Cb -0.02 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1dba s ILE 82 CO -0.00 0.00 0.08 -3.20 0.00 0.00 0.00 174.94 171.81 1dba n ASN 82 N -0.86 -0.10 -4.68 3.58 4.05 -1.24 -0.79 115.26 115.22 1dba n ASN 82 Ca -0.04 -0.34 -0.42 0.00 0.45 0.00 0.00 54.58 54.22 1dba n ASN 82 Cb 0.66 -0.43 -0.00 0.00 1.23 0.00 0.00 39.78 41.24 1dba n ASN 82 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1dba n LEU 82 N -1.74 3.43 -3.77 1.20 7.94 -0.98 -4.68 117.00 118.41 1dba n LEU 82 Ca -0.03 1.16 -0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1dba n LEU 82 Cb 0.16 -1.46 -0.11 0.00 0.53 0.00 0.00 43.42 42.55 1dba n LEU 82 CO 0.25 -0.71 -0.02 -1.59 -1.11 0.00 0.00 177.39 174.20 1dba s LYS 83 N -1.96 0.42 0.41 1.96 -2.85 -1.26 0.13 119.74 116.59 1dba s LYS 83 Ca 0.58 0.27 0.35 0.00 -1.00 0.00 0.00 55.97 56.17 1dba s LYS 83 Cb -0.56 0.20 1.33 0.00 -2.06 0.00 0.00 37.83 36.74 1dba s LYS 83 CO 0.60 -0.07 1.27 0.09 0.10 0.00 0.00 175.35 177.34 1dba n ASN 84 N 2.54 0.07 0.03 0.03 4.13 -1.26 0.68 115.26 121.49 1dba n ASN 84 Ca -0.15 0.95 0.07 0.00 1.68 0.00 0.00 54.58 57.13 1dba n ASN 84 Cb 0.57 -0.47 0.31 0.00 -1.54 0.00 0.00 39.78 38.66 1dba n ASN 84 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1dba n GLU 85 N -3.89 0.04 -0.26 3.52 4.71 -1.26 -2.88 120.64 120.62 1dba n GLU 85 Ca 0.35 0.33 0.05 0.00 -0.01 0.00 0.00 57.16 57.87 1dba n GLU 85 Cb 1.49 -1.58 0.16 0.00 -1.01 0.00 0.00 31.44 30.50 1dba n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1dba n ASP 86 N -1.66 2.30 -4.65 1.62 8.00 0.22 -4.84 116.55 117.53 1dba n ASP 86 Ca 0.03 -2.15 -0.43 0.00 0.71 0.00 0.00 54.79 52.94 1dba n ASP 86 Cb 0.15 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1dba n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dba s THR 87 N -1.64 4.31 -0.00 -3.53 2.01 -1.14 -4.75 115.64 110.89 1dba s THR 87 Ca 0.23 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 1dba s THR 87 Cb 0.14 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1dba s THR 87 CO 0.12 -0.21 0.20 0.00 -0.69 0.00 0.00 174.62 174.04 1dba n ALA 88 N 6.77 -0.56 -3.55 7.40 0.00 -0.60 -4.63 120.51 125.34 1dba n ALA 88 Ca 0.14 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1dba n ALA 88 Cb 0.45 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 1dba n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dba s THR 89 N -2.12 2.76 -0.23 0.00 2.01 -0.90 -0.36 115.64 116.80 1dba s THR 89 Ca 0.05 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1dba s THR 89 Cb -0.00 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1dba s THR 89 CO -0.00 0.50 0.47 -0.31 -0.69 0.00 0.00 174.62 174.58 1dba s TYR 90 N 1.01 3.33 0.02 4.92 2.02 -0.26 -1.19 117.35 127.21 1dba s TYR 90 Ca -0.01 0.64 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1dba s TYR 90 Cb -0.15 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 1dba s TYR 90 CO -0.03 -0.14 -0.00 -0.06 -1.57 0.00 0.00 175.55 173.75 1dba s PHE 91 N 1.79 3.04 0.12 2.71 0.40 -0.10 -0.36 117.98 125.58 1dba s PHE 91 Ca 0.21 0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.65 1dba s PHE 91 Cb -0.15 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1dba s PHE 91 CO 0.09 0.46 -0.04 0.00 0.70 0.00 0.00 175.22 176.43 1dba s THR 93 N -1.40 -0.00 -0.56 0.00 -1.32 -0.25 -0.95 115.64 111.16 1dba s THR 93 Ca 0.24 0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 60.47 1dba s THR 93 Cb -0.11 -0.85 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1dba s THR 93 CO 0.16 0.00 2.23 -0.60 -2.21 0.00 0.00 174.62 174.21 1dba s ARG 94 N 0.65 2.23 -0.19 7.08 3.52 -0.63 -1.18 118.95 130.44 1dba s ARG 94 Ca -0.03 1.05 -0.29 0.00 -0.13 0.00 0.00 55.73 56.34 1dba s ARG 94 Cb -0.05 -4.55 -0.00 0.00 -1.56 0.00 0.00 34.95 28.79 1dba s ARG 94 CO -0.04 -3.20 1.11 0.20 -0.81 0.00 0.00 175.30 172.56 1dba s GLY 95 N 10.78 1.77 0.32 8.12 0.00 0.95 -3.10 107.32 126.15 1dba s GLY 95 Ca 0.87 0.30 -0.21 0.00 0.00 0.00 0.00 44.72 45.68 1dba s GLY 95 CO 0.22 2.26 0.85 -0.35 0.00 0.00 0.00 173.10 176.08 1dba s ASP 96 N 1.43 7.05 0.07 1.64 -1.08 -0.90 -0.42 116.67 124.48 1dba s ASP 96 Ca 0.48 1.58 0.14 0.00 -0.52 0.00 0.00 52.55 54.23 1dba s ASP 96 Cb -0.18 -2.49 -0.14 0.00 -1.46 0.00 0.00 42.92 38.65 1dba s ASP 96 CO 0.10 -0.14 0.94 1.88 0.52 0.00 0.00 175.17 178.47 1dba h TYR 97 N 2.74 0.00 0.00 -5.34 0.05 -1.92 -2.19 116.97 110.30 1dba h TYR 97 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1dba h TYR 97 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1dba h TYR 97 CO 0.62 0.74 0.00 0.28 -1.05 0.00 0.00 178.16 178.76 1dba n VAL 98 N -3.05 0.00 1.07 -2.88 0.31 -1.26 -4.56 118.33 107.96 1dba n VAL 98 Ca -0.09 0.65 0.14 0.00 -0.01 0.00 0.00 64.34 65.04 1dba n VAL 98 Cb 0.90 -1.42 0.62 0.00 -0.91 0.00 0.00 33.84 33.03 1dba n VAL 98 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1dba n ASN 99 N -1.50 0.04 -3.11 4.52 5.03 -1.26 -4.99 115.26 113.99 1dba n ASN 99 Ca 0.00 0.34 -0.23 0.00 0.87 0.00 0.00 54.58 55.57 1dba n ASN 99 Cb 0.00 -0.42 0.03 0.00 -1.02 0.00 0.00 39.78 38.37 1dba n ASN 99 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1dba n TRP 100 N -1.46 -1.93 -3.55 3.10 7.02 -0.82 -4.98 117.44 114.82 1dba n TRP 100 Ca 0.08 0.51 -0.05 0.00 -1.02 0.00 0.00 57.50 57.02 1dba n TRP 100 Cb 0.32 -4.09 0.00 0.00 -2.42 0.00 0.00 31.31 25.12 1dba n TRP 100 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 1dba n TYR 100 N -4.36 -1.39 -3.72 -5.99 0.18 -1.26 -4.87 117.16 95.74 1dba n TYR 100 Ca -0.09 -0.48 -0.29 0.00 1.88 0.00 0.00 57.90 58.92 1dba n TYR 100 Cb 0.60 -0.09 -0.15 0.00 -0.38 0.00 0.00 39.34 39.31 1dba n TYR 100 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1dba s PHE 100 N -0.52 1.38 -0.18 -3.48 0.08 -1.26 -2.11 117.98 111.89 1dba s PHE 100 Ca 0.07 -1.36 0.10 0.00 0.12 0.00 0.00 56.93 55.85 1dba s PHE 100 Cb -0.01 -1.40 -0.23 0.00 -0.57 0.00 0.00 43.02 40.82 1dba s PHE 100 CO 0.04 -0.78 0.13 -0.40 -0.10 0.00 0.00 175.22 174.11 1dba n ASP 101 N 4.95 0.94 -4.48 1.36 5.75 -1.18 -4.81 116.55 119.09 1dba n ASP 101 Ca -0.05 0.06 -0.35 0.00 -0.01 0.00 0.00 54.79 54.44 1dba n ASP 101 Cb 0.44 0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.61 1dba n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dba s VAL 102 N -2.53 4.15 0.00 2.12 1.01 -1.26 -5.03 120.40 118.86 1dba s VAL 102 Ca -0.17 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1dba s VAL 102 Cb 0.07 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1dba s VAL 102 CO 0.76 0.42 -0.10 0.26 0.00 0.00 0.00 175.10 176.44 1dba s TRP 103 N 1.01 2.80 0.96 5.22 0.52 -1.26 -1.60 118.94 126.59 1dba s TRP 103 Ca 0.02 -0.10 -0.14 0.00 0.02 0.00 0.00 56.10 55.91 1dba s TRP 103 Cb -0.14 -1.59 0.17 0.00 -1.15 0.00 0.00 33.47 30.76 1dba s TRP 103 CO 0.02 0.32 1.17 0.20 0.02 0.00 0.00 176.95 178.69 1dba s GLY 104 N -1.31 1.62 0.11 0.98 0.00 -0.12 -4.66 107.32 103.94 1dba s GLY 104 Ca 0.16 -0.73 0.27 0.00 0.00 0.00 0.00 44.72 44.41 1dba s GLY 104 CO 0.06 -0.09 1.79 0.00 0.00 0.00 0.00 173.10 174.86 1dba n ALA 105 N -3.89 2.40 0.00 3.20 0.00 -1.26 -4.76 120.51 116.21 1dba n ALA 105 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1dba n ALA 105 Cb 0.59 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1dba n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dba n GLY 106 N 1.40 0.77 2.87 0.00 0.00 -1.26 -5.00 105.19 103.97 1dba n GLY 106 Ca 0.06 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1dba n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dba s THR 107 N -1.91 1.16 -0.05 2.61 2.01 0.51 -4.88 115.64 115.09 1dba s THR 107 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1dba s THR 107 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1dba s THR 107 CO 0.00 -0.09 1.33 -0.89 -0.69 0.00 0.00 174.62 174.27 1dba s THR 108 N 1.57 3.97 -0.17 -0.82 2.01 -1.26 -1.10 115.64 119.84 1dba s THR 108 Ca -0.03 1.31 -0.02 0.00 0.31 0.00 0.00 61.69 63.25 1dba s THR 108 Cb -0.18 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1dba s THR 108 CO -0.07 -0.02 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.07 1dba s VAL 109 N 2.58 3.33 -0.21 3.82 1.01 0.51 -2.79 120.40 128.66 1dba s VAL 109 Ca 0.60 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1dba s VAL 109 Cb -0.28 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1dba s VAL 109 CO 0.23 0.48 0.02 -0.89 0.00 0.00 0.00 175.10 174.94 1dba s THR 110 N 0.86 4.13 -0.12 3.92 2.01 -1.11 -1.56 115.64 123.76 1dba s THR 110 Ca -0.02 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1dba s THR 110 Cb -0.15 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.52 1dba s THR 110 CO 0.01 0.42 -0.05 0.54 -0.69 0.00 0.00 174.62 174.85 1dba s VAL 111 N 1.01 0.90 0.20 3.82 0.11 -1.26 -2.13 120.40 123.04 1dba s VAL 111 Ca 0.02 -0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1dba s VAL 111 Cb -0.14 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1dba s VAL 111 CO 0.02 0.26 0.10 -0.55 -3.33 0.00 0.00 175.10 171.60 1dba s SER 112 N 1.75 0.52 -0.10 3.54 0.15 -0.62 -4.35 113.70 114.58 1dba s SER 112 Ca 0.04 -1.34 0.14 0.00 0.70 0.00 0.00 55.95 55.49 1dba s SER 112 Cb -0.13 0.29 0.25 0.00 -1.71 0.00 0.00 66.02 64.71 1dba s SER 112 CO -0.08 -0.77 1.13 -1.54 1.20 0.00 0.00 173.24 173.18 1dba n SER 113 N -0.28 1.64 -4.73 5.45 3.41 -1.26 -3.94 113.62 113.90 1dba n SER 113 Ca -0.00 -2.89 -0.34 0.00 -0.26 0.00 0.00 58.87 55.38 1dba n SER 113 Cb 0.65 -0.38 0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1dba n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dba s ALA 114 N -2.10 2.19 0.36 7.33 0.00 -1.26 -5.05 121.76 123.22 1dba s ALA 114 Ca 0.25 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1dba s ALA 114 Cb 0.23 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 1dba s ALA 114 CO -0.00 -1.74 0.50 0.21 0.00 0.00 0.00 175.76 174.72 1dba s LYS 115 N -4.04 3.04 0.34 0.00 2.36 -1.26 -5.05 119.74 115.13 1dba s LYS 115 Ca 0.71 -1.07 -0.29 0.00 -2.55 0.00 0.00 55.97 52.78 1dba s LYS 115 Cb -0.26 -2.80 -0.10 0.00 -1.05 0.00 0.00 37.83 33.61 1dba s LYS 115 CO 0.45 -0.03 1.36 0.99 1.55 0.00 0.00 175.35 179.67 1dba s THR 116 N -2.22 2.54 -0.05 3.43 2.01 -1.26 -4.69 115.64 115.40 1dba s THR 116 Ca 0.48 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1dba s THR 116 Cb -0.10 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1dba s THR 116 CO 0.32 0.13 0.09 -0.89 -0.69 0.00 0.00 174.62 173.57 1dba s THR 117 N -1.07 -0.10 0.50 -0.82 2.01 -0.42 -4.96 115.64 110.78 1dba s THR 117 Ca 0.50 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.58 1dba s THR 117 Cb -0.42 -0.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 1dba s THR 117 CO 0.55 0.11 1.10 -2.16 -0.69 0.00 0.00 174.62 173.54 1dba s PRO 118 N 1.54 3.62 0.46 4.92 0.04 -1.26 -2.69 135.00 141.62 1dba s PRO 118 Ca -0.04 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1dba s PRO 118 Cb -0.12 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1dba s PRO 118 CO -0.04 -0.62 0.93 -1.25 0.04 0.00 0.00 177.00 176.06 1dba s PRO 119 N -3.11 4.04 -0.10 0.56 0.04 -1.26 -4.64 135.00 130.53 1dba s PRO 119 Ca 0.68 0.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 1dba s PRO 119 Cb -0.22 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1dba s PRO 119 CO 0.26 -0.13 0.61 -1.12 0.04 0.00 0.00 177.00 176.66 1dba s SER 120 N -2.70 6.84 -0.35 6.66 0.01 0.24 -4.92 113.70 119.47 1dba s SER 120 Ca 0.59 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1dba s SER 120 Cb -0.10 -2.36 0.09 0.00 0.21 0.00 0.00 66.02 63.87 1dba s SER 120 CO 0.24 -0.10 0.08 0.54 0.41 0.00 0.00 173.24 174.41 1dba s VAL 121 N 0.90 2.76 0.40 3.43 0.11 -1.26 -1.15 120.40 125.58 1dba s VAL 121 Ca 0.32 -2.02 -0.23 0.00 -2.93 0.00 0.00 61.98 57.12 1dba s VAL 121 Cb -0.16 -2.87 -0.11 0.00 -1.53 0.00 0.00 36.38 31.71 1dba s VAL 121 CO 0.14 -0.50 0.95 -0.31 -3.33 0.00 0.00 175.10 172.05 1dba s TYR 122 N 1.06 3.42 0.20 1.54 2.02 -0.36 -4.86 117.35 120.37 1dba s TYR 122 Ca 0.06 1.67 -0.10 0.00 -0.37 0.00 0.00 57.07 58.32 1dba s TYR 122 Cb -0.21 -2.89 -0.07 0.00 -0.40 0.00 0.00 41.96 38.40 1dba s TYR 122 CO -0.05 -0.04 0.53 -1.25 -1.57 0.00 0.00 175.55 173.16 1dba s PRO 123 N -2.81 3.82 -0.26 -1.71 0.04 -1.26 -1.01 135.00 131.81 1dba s PRO 123 Ca 0.58 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1dba s PRO 123 Cb -0.13 -2.74 0.05 0.00 0.04 0.00 0.00 34.50 31.72 1dba s PRO 123 CO 0.17 0.38 -0.07 -0.51 0.04 0.00 0.00 177.00 177.01 1dba s LEU 124 N -2.58 3.44 0.06 -3.56 1.43 0.83 -4.90 118.68 113.40 1dba s LEU 124 Ca 0.44 -1.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1dba s LEU 124 Cb -0.12 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1dba s LEU 124 CO 0.21 -0.19 -0.21 0.00 0.23 0.00 0.00 176.35 176.39 1dba s ALA 125 N 1.21 2.50 -0.04 4.21 0.00 -1.26 -2.78 121.76 125.60 1dba s ALA 125 Ca -0.05 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1dba s ALA 125 Cb -0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1dba s ALA 125 CO -0.04 0.56 1.31 -1.25 0.00 0.00 0.00 175.76 176.34 1dba s PRO 126 N -1.53 4.31 -0.83 0.00 0.04 -1.02 -4.77 135.00 131.20 1dba s PRO 126 Ca 0.14 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1dba s PRO 126 Cb -0.10 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1dba s PRO 126 CO 0.05 -0.53 1.84 0.20 0.04 0.00 0.00 177.00 178.59 1dba s GLY 127 N 1.75 0.34 0.00 0.56 0.00 -1.19 -4.18 107.32 104.60 1dba s GLY 127 Ca 0.60 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1dba s GLY 127 CO 0.24 3.34 0.00 -1.26 0.00 0.00 0.00 173.10 175.42 1dba n SER 128 N 12.85 -0.18 -4.55 1.64 2.88 -1.26 -4.81 113.62 120.19 1dba n SER 128 Ca 0.32 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.51 1dba n SER 128 Cb 0.49 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 1dba n SER 128 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dba s ALA 129 N -0.09 2.15 0.16 -1.46 0.00 -1.26 -4.90 121.76 116.37 1dba s ALA 129 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1dba s ALA 129 Cb 0.00 -4.40 -0.07 0.00 0.00 0.00 0.00 23.12 18.65 1dba s ALA 129 CO 0.00 -4.06 0.96 0.00 0.00 0.00 0.00 175.76 172.66 1dba s ALA 130 N 8.49 3.28 0.64 0.00 0.00 -1.26 -4.88 121.76 128.04 1dba s ALA 130 Ca 0.61 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 1dba s ALA 130 Cb -0.09 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1dba s ALA 130 CO 0.10 0.06 1.24 0.94 0.00 0.00 0.00 175.76 178.10 1dba n GLN 133 N 2.28 1.07 0.29 0.00 0.00 -1.26 -4.95 117.38 114.81 1dba n GLN 133 Ca 0.01 0.42 -0.12 0.00 -0.00 0.00 0.00 57.00 57.31 1dba n GLN 133 Cb 0.48 -2.47 -0.06 0.00 0.00 0.00 0.00 30.24 28.19 1dba n GLN 133 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1dba h THR 134 N 0.51 0.00 0.00 1.69 2.02 -1.90 -3.46 112.91 111.77 1dba h THR 134 Ca -0.51 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1dba h THR 134 Cb 1.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1dba h THR 134 CO 0.53 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.01 1dba n ASN 135 N -4.84 0.53 0.00 4.18 4.13 -1.26 -5.06 115.26 112.94 1dba n ASN 135 Ca -0.10 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1dba n ASN 135 Cb 0.31 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 1dba n ASN 135 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1dba n SER 136 N -2.98 0.00 -4.92 6.41 3.41 -1.26 -5.07 113.62 109.21 1dba n SER 136 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1dba n SER 136 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1dba n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1dba s MET 137 N 0.00 3.46 0.14 4.33 -1.94 -1.26 0.46 119.30 124.49 1dba s MET 137 Ca 0.00 -0.44 0.10 0.00 -1.71 0.00 0.00 55.69 53.64 1dba s MET 137 Cb 0.00 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 1dba s MET 137 CO 0.00 0.57 -0.24 0.54 -0.01 0.00 0.00 175.02 175.88 1dba s VAL 138 N -1.59 2.10 -0.08 -6.03 0.11 -0.53 -4.76 120.40 109.63 1dba s VAL 138 Ca 0.36 -1.78 -0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1dba s VAL 138 Cb -0.12 -1.90 0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1dba s VAL 138 CO 0.28 -0.03 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.10 1dba s THR 139 N -1.32 0.61 0.50 5.04 2.01 -1.26 -2.22 115.64 119.00 1dba s THR 139 Ca 0.14 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1dba s THR 139 Cb -0.09 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.75 1dba s THR 139 CO 0.06 0.29 0.26 0.18 -0.69 0.00 0.00 174.62 174.73 1dba n LEU 140 N 4.90 0.00 -3.59 4.42 7.99 -0.26 -4.69 117.00 125.77 1dba n LEU 140 Ca -0.11 -2.76 -0.04 0.00 -0.01 0.00 0.00 56.01 53.09 1dba n LEU 140 Cb 0.50 0.08 -0.02 0.00 -0.11 0.00 0.00 43.42 43.87 1dba n LEU 140 CO 0.14 -0.52 0.97 -0.83 -1.51 0.00 0.00 177.39 175.64 1dba s GLY 141 N -3.91 -0.33 -0.07 -0.72 0.00 -1.12 -2.26 107.32 98.92 1dba s GLY 141 Ca 0.20 1.38 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1dba s GLY 141 CO 0.13 0.44 -0.12 0.00 0.00 0.00 0.00 173.10 173.55 1dba s LEU 143 N -0.58 4.79 -0.58 0.00 0.20 -0.18 -3.04 118.68 119.29 1dba s LEU 143 Ca 0.08 -1.34 -0.21 0.00 0.69 0.00 0.00 54.13 53.35 1dba s LEU 143 Cb -0.11 -1.93 0.07 0.00 -0.43 0.00 0.00 46.19 43.78 1dba s LEU 143 CO 0.01 -0.44 0.79 -0.69 -0.29 0.00 0.00 176.35 175.74 1dba s VAL 144 N 1.41 4.63 0.05 1.68 1.01 -0.98 -1.23 120.40 126.97 1dba s VAL 144 Ca 0.01 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1dba s VAL 144 Cb -0.21 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1dba s VAL 144 CO 0.02 -1.12 -0.11 -1.59 0.00 0.00 0.00 175.10 172.31 1dba s LYS 145 N 3.26 0.70 0.00 2.72 -2.85 -0.30 -1.07 119.74 122.21 1dba s LYS 145 Ca 0.19 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1dba s LYS 145 Cb -0.19 -0.62 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 1dba s LYS 145 CO 0.11 0.14 0.00 0.41 0.10 0.00 0.00 175.35 176.11 1dba n GLY 146 N 1.66 1.24 3.48 0.59 0.00 -0.35 -0.59 105.19 111.22 1dba n GLY 146 Ca -0.20 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1dba n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dba s TYR 147 N -2.12 2.43 -0.19 1.61 1.13 -0.70 -4.58 117.35 114.94 1dba s TYR 147 Ca 0.00 -0.30 -0.17 0.00 -1.41 0.00 0.00 57.07 55.19 1dba s TYR 147 Cb 0.00 -1.19 0.05 0.00 -1.10 0.00 0.00 41.96 39.72 1dba s TYR 147 CO 0.00 0.52 0.49 0.12 -2.51 0.00 0.00 175.55 174.17 1dba s PHE 148 N -1.73 -0.54 0.58 -3.49 2.19 -1.10 -0.03 117.98 113.86 1dba s PHE 148 Ca 0.23 1.33 0.01 0.00 0.33 0.00 0.00 56.93 58.83 1dba s PHE 148 Cb -0.08 0.19 0.05 0.00 -1.31 0.00 0.00 43.02 41.86 1dba s PHE 148 CO 0.12 -0.26 0.81 -1.25 1.83 0.00 0.00 175.22 176.47 1dba s PRO 149 N 0.27 2.40 0.96 10.12 0.04 -1.26 -1.30 135.00 146.23 1dba s PRO 149 Ca -0.00 -0.85 -0.11 0.00 0.04 0.00 0.00 61.00 60.08 1dba s PRO 149 Cb -0.03 -2.47 0.13 0.00 0.04 0.00 0.00 34.50 32.17 1dba s PRO 149 CO 0.01 -0.83 0.93 0.39 0.04 0.00 0.00 177.00 177.53 1dba n GLU 150 N -2.42 -0.63 -2.35 4.56 1.02 -1.26 -4.78 120.64 114.78 1dba n GLU 150 Ca 0.09 -0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.85 1dba n GLU 150 Cb 0.60 -2.22 0.05 0.00 -0.02 0.00 0.00 31.44 29.85 1dba n GLU 150 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1dba s PRO 151 N -4.34 2.56 -0.05 3.49 0.04 -1.26 -4.94 135.00 130.50 1dba s PRO 151 Ca 0.64 -0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.48 1dba s PRO 151 Cb -0.22 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1dba s PRO 151 CO 0.61 -0.93 -0.02 0.08 0.04 0.00 0.00 177.00 176.78 1dba s VAL 152 N -3.07 0.44 0.04 -0.36 1.01 -1.26 -4.33 120.40 112.86 1dba s VAL 152 Ca 0.57 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 1dba s VAL 152 Cb -0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1dba s VAL 152 CO 0.44 0.23 0.48 -0.89 0.00 0.00 0.00 175.10 175.36 1dba s THR 153 N 1.37 4.90 -0.14 3.92 2.01 -0.62 -4.96 115.64 122.12 1dba s THR 153 Ca -0.04 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1dba s THR 153 Cb -0.13 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.62 1dba s THR 153 CO -0.02 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 1dba s VAL 154 N -1.10 0.97 0.42 3.82 1.01 -1.26 -1.98 120.40 122.28 1dba s VAL 154 Ca 0.26 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1dba s VAL 154 Cb -0.18 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1dba s VAL 154 CO 0.16 0.21 0.02 0.42 0.00 0.00 0.00 175.10 175.91 1dba s THR 156 N 1.71 1.60 -0.08 3.92 -4.23 -0.41 -4.95 115.64 113.19 1dba s THR 156 Ca 0.03 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1dba s THR 156 Cb -0.14 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1dba s THR 156 CO -0.08 0.00 -0.20 0.26 -0.54 0.00 0.00 174.62 174.06 1dba s TRP 157 N -2.87 2.14 -1.62 3.99 0.52 -1.26 -0.31 118.94 119.52 1dba s TRP 157 Ca 0.28 -0.81 -0.15 0.00 0.02 0.00 0.00 56.10 55.44 1dba s TRP 157 Cb 0.07 -1.45 0.12 0.00 -1.15 0.00 0.00 33.47 31.06 1dba s TRP 157 CO 0.14 -0.33 0.83 0.09 0.02 0.00 0.00 176.95 177.70 1dba n ASN 162 N 3.50 -3.60 -3.54 2.95 3.02 -0.18 -2.49 115.26 114.92 1dba n ASN 162 Ca -0.20 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 1dba n ASN 162 Cb 0.53 -3.20 0.05 0.00 -0.61 0.00 0.00 39.78 36.55 1dba n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dba n SER 163 N -2.75 -4.27 0.00 6.41 7.64 -1.26 -2.14 113.62 117.25 1dba n SER 163 Ca 0.03 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1dba n SER 163 Cb 0.52 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1dba n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dba n GLY 164 N -1.48 2.83 0.24 0.23 0.00 -1.04 -4.90 105.19 101.07 1dba n GLY 164 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1dba n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dba n SER 165 N 0.00 0.72 -3.95 1.61 7.64 -0.91 -4.26 113.62 114.47 1dba n SER 165 Ca 0.00 -1.38 -0.29 0.00 1.01 0.00 0.00 58.87 58.21 1dba n SER 165 Cb 0.00 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 1dba n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dba s LEU 166 N -1.80 1.64 0.22 -3.43 1.43 -1.09 -4.99 118.68 110.67 1dba s LEU 166 Ca 0.37 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1dba s LEU 166 Cb 0.18 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1dba s LEU 166 CO 0.30 -0.12 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 1dba n SER 167 N 4.83 0.07 -4.75 2.29 7.64 -1.26 -4.20 113.62 118.23 1dba n SER 167 Ca -0.14 0.37 -0.41 0.00 1.01 0.00 0.00 58.87 59.70 1dba n SER 167 Cb 0.49 0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.93 1dba n SER 167 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dba n SER 168 N -3.37 3.29 0.00 6.43 3.41 -1.26 -1.51 113.62 120.60 1dba n SER 168 Ca 0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1dba n SER 168 Cb 0.01 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1dba n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dba n GLY 169 N 0.60 3.21 3.80 5.00 0.00 -1.26 -4.85 105.19 111.69 1dba n GLY 169 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1dba n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dba s VAL 171 N -2.83 4.84 -0.15 1.61 1.01 -0.57 -2.84 120.40 121.46 1dba s VAL 171 Ca 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1dba s VAL 171 Cb 0.00 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1dba s VAL 171 CO 0.00 0.52 -0.03 -1.00 0.00 0.00 0.00 175.10 174.59 1dba s HIS 172 N -0.82 1.33 -0.06 5.22 3.76 -0.69 -4.94 115.29 119.09 1dba s HIS 172 Ca 0.28 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1dba s HIS 172 Cb -0.19 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1dba s HIS 172 CO 0.17 -0.55 0.13 0.99 -0.85 0.00 0.00 174.74 174.64 1dba s THR 173 N 1.76 5.22 -0.07 1.30 2.01 -1.26 -1.64 115.64 122.94 1dba s THR 173 Ca 0.02 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1dba s THR 173 Cb -0.15 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1dba s THR 173 CO -0.07 0.48 0.10 -0.36 -0.69 0.00 0.00 174.62 174.07 1dba s PHE 174 N -1.14 3.42 0.20 4.92 0.40 0.20 -4.98 117.98 121.00 1dba s PHE 174 Ca 0.20 0.35 -0.33 0.00 -0.60 0.00 0.00 56.93 56.56 1dba s PHE 174 Cb -0.12 -1.84 -0.13 0.00 0.51 0.00 0.00 43.02 41.44 1dba s PHE 174 CO 0.10 0.62 1.64 -2.30 0.70 0.00 0.00 175.22 175.98 1dba n PRO 175 N 1.71 2.46 -1.52 0.24 -0.02 -1.26 -4.11 135.00 132.50 1dba n PRO 175 Ca -0.17 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1dba n PRO 175 Cb 0.54 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1dba n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dba n ALA 176 N 3.50 -0.67 -2.82 3.55 0.00 -1.26 -4.89 120.51 117.92 1dba n ALA 176 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 1dba n ALA 176 Cb 0.32 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.71 1dba n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dba s VAL 177 N -1.60 0.40 0.70 0.00 1.01 -0.76 -4.91 120.40 115.24 1dba s VAL 177 Ca 0.70 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1dba s VAL 177 Cb -0.46 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1dba s VAL 177 CO 0.53 -0.13 1.11 -0.76 0.00 0.00 0.00 175.10 175.85 1dba s LEU 178 N -0.75 3.27 -0.40 3.92 1.43 -1.26 -1.41 118.68 123.48 1dba s LEU 178 Ca -0.04 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 1dba s LEU 178 Cb -0.05 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.81 1dba s LEU 178 CO -0.00 -1.81 0.77 -1.58 0.23 0.00 0.00 176.35 173.96 1dba s GLN 179 N -4.34 0.67 -0.98 1.70 -0.44 -0.22 -4.87 119.66 111.18 1dba s GLN 179 Ca 0.66 -0.33 -0.12 0.00 -2.50 0.00 0.00 55.36 53.07 1dba s GLN 179 Cb -0.20 0.05 -0.00 0.00 -1.64 0.00 0.00 33.01 31.22 1dba s GLN 179 CO 0.46 -0.93 0.73 -1.13 0.50 0.00 0.00 175.29 174.92 1dba n SER 180 N 3.91 -5.74 0.00 6.67 3.41 -1.26 -3.26 113.62 117.35 1dba n SER 180 Ca 0.11 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1dba n SER 180 Cb 0.59 -3.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.16 1dba n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dba n ASP 183 N -2.47 0.00 -4.62 4.04 9.92 -1.26 -4.99 116.55 117.17 1dba n ASP 183 Ca -0.13 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.86 1dba n ASP 183 Cb 0.60 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.97 1dba n ASP 183 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1dba s LEU 184 N 0.00 2.88 0.13 0.64 1.43 -1.20 -4.71 118.68 117.85 1dba s LEU 184 Ca 0.00 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 1dba s LEU 184 Cb 0.00 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1dba s LEU 184 CO 0.00 -0.42 0.22 -0.31 0.23 0.00 0.00 176.35 176.07 1dba s TYR 185 N -2.68 3.39 -0.02 0.29 2.02 0.95 -1.05 117.35 120.24 1dba s TYR 185 Ca 0.35 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 1dba s TYR 185 Cb 0.08 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1dba s TYR 185 CO 0.18 0.53 -0.09 0.99 -1.57 0.00 0.00 175.55 175.59 1dba s THR 186 N -1.67 0.76 0.23 -0.71 2.01 -0.50 -1.21 115.64 114.55 1dba s THR 186 Ca 0.33 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1dba s THR 186 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1dba s THR 186 CO 0.27 0.24 0.21 -0.22 -0.69 0.00 0.00 174.62 174.42 1dba s LEU 187 N 0.16 1.17 -0.28 4.42 0.20 -0.23 -1.84 118.68 122.27 1dba s LEU 187 Ca -0.02 -1.41 -0.16 0.00 0.69 0.00 0.00 54.13 53.22 1dba s LEU 187 Cb -0.08 0.60 0.10 0.00 -0.43 0.00 0.00 46.19 46.38 1dba s LEU 187 CO 0.00 -0.93 0.77 -0.44 -0.29 0.00 0.00 176.35 175.47 1dba s SER 188 N -3.19 -0.82 0.35 3.68 0.01 -1.26 -2.31 113.70 110.16 1dba s SER 188 Ca 0.37 1.31 0.07 0.00 1.31 0.00 0.00 55.95 59.02 1dba s SER 188 Cb 0.05 1.34 -0.02 0.00 0.21 0.00 0.00 66.02 67.60 1dba s SER 188 CO 0.15 -0.21 0.33 -0.55 0.41 0.00 0.00 173.24 173.37 1dba s SER 189 N 1.56 5.31 -0.04 2.44 0.15 -1.17 -0.63 113.70 121.32 1dba s SER 189 Ca -0.10 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.01 1dba s SER 189 Cb -0.05 -0.92 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1dba s SER 189 CO -0.18 -0.42 0.11 -0.94 1.20 0.00 0.00 173.24 173.00 1dba s SER 190 N -4.04 -0.09 0.03 5.45 1.04 -0.65 -3.14 113.70 112.29 1dba s SER 190 Ca 0.43 0.22 0.09 0.00 0.48 0.00 0.00 55.95 57.16 1dba s SER 190 Cb -0.06 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1dba s SER 190 CO 0.27 -0.08 -0.26 0.54 0.98 0.00 0.00 173.24 174.70 1dba s VAL 191 N 0.46 2.10 -0.27 5.02 0.11 -0.96 -1.70 120.40 125.17 1dba s VAL 191 Ca -0.03 -1.31 0.02 0.00 -2.93 0.00 0.00 61.98 57.73 1dba s VAL 191 Cb -0.05 -1.78 0.07 0.00 -1.53 0.00 0.00 36.38 33.09 1dba s VAL 191 CO -0.02 0.42 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.24 1dba s THR 192 N -0.75 1.79 0.35 5.04 2.01 -1.13 -1.10 115.64 121.85 1dba s THR 192 Ca 0.11 -1.56 0.08 0.00 0.31 0.00 0.00 61.69 60.63 1dba s THR 192 Cb -0.10 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1dba s THR 192 CO 0.01 -0.22 0.28 0.68 -0.69 0.00 0.00 174.62 174.68 1dba s VAL 193 N 1.24 3.26 0.85 3.82 -7.23 -0.94 -4.69 120.40 116.70 1dba s VAL 193 Ca -0.02 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 1dba s VAL 193 Cb -0.19 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.71 1dba s VAL 193 CO -0.08 -0.14 0.93 -2.65 -0.31 0.00 0.00 175.10 172.85 1dba n PRO 194 N -1.36 -0.03 0.00 4.82 -0.01 -1.26 -1.45 135.00 135.70 1dba n PRO 194 Ca -0.01 0.06 0.13 0.00 -0.01 0.00 0.00 63.50 63.67 1dba n PRO 194 Cb 0.60 -2.22 0.50 0.00 -0.01 0.00 0.00 33.50 32.38 1dba n PRO 194 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1dba n SER 195 N -2.63 0.34 -0.04 2.55 2.88 0.17 -3.40 113.62 113.49 1dba n SER 195 Ca 0.11 -0.14 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 1dba n SER 195 Cb 0.51 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.75 1dba n SER 195 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1dba h SER 196 N 0.23 0.03 -0.01 -3.46 0.02 -1.93 -3.38 113.55 105.05 1dba h SER 196 Ca 0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1dba h SER 196 Cb 0.45 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1dba h SER 196 CO 0.00 0.77 -0.04 -0.65 -1.14 0.00 0.00 176.83 175.77 1dba h PRO 199 N -0.71 -0.04 -7.27 3.45 0.10 -1.93 -3.37 132.00 122.22 1dba h PRO 199 Ca -0.00 0.00 -0.48 0.00 0.10 0.00 0.00 66.00 65.62 1dba h PRO 199 Cb 0.77 0.01 0.07 0.00 0.10 0.00 0.00 31.00 31.95 1dba h PRO 199 CO 0.01 -0.03 0.28 0.50 0.10 0.00 0.00 178.00 178.86 1dba s ARG 200 N -3.22 2.90 0.00 1.05 3.00 -1.24 0.89 118.95 122.33 1dba s ARG 200 Ca -0.01 0.20 0.00 0.00 -1.00 0.00 0.00 55.73 54.92 1dba s ARG 200 Cb 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.79 1dba s ARG 200 CO 0.05 -0.84 0.29 -0.35 0.00 0.00 0.00 175.30 174.44 1dba n PRO 202 N -2.77 0.37 0.29 5.12 -0.04 -1.26 -4.69 135.00 132.01 1dba n PRO 202 Ca 0.06 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.69 1dba n PRO 202 Cb 0.57 -1.08 0.75 0.00 -0.04 0.00 0.00 33.50 33.70 1dba n PRO 202 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1dba h SER 203 N 0.28 0.00 -3.59 3.54 0.87 -0.18 -3.43 113.55 111.03 1dba h SER 203 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 1dba h SER 203 Cb 0.08 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 61.72 1dba h SER 203 CO 0.00 0.00 -0.74 -0.70 -0.53 0.00 0.00 176.83 174.86 1dba s GLU 204 N -3.72 0.16 0.17 2.24 2.56 0.26 -5.03 118.70 115.32 1dba s GLU 204 Ca 0.00 0.07 -0.32 0.00 0.00 0.00 0.00 54.97 54.73 1dba s GLU 204 Cb 0.09 -0.31 -0.10 0.00 2.00 0.00 0.00 34.13 35.81 1dba s GLU 204 CO 0.53 -0.09 1.60 0.99 -0.56 0.00 0.00 175.26 177.72 1dba s THR 205 N 0.73 2.55 -0.21 -1.70 2.01 -1.26 -4.31 115.64 113.44 1dba s THR 205 Ca -0.07 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1dba s THR 205 Cb -0.10 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1dba s THR 205 CO -0.02 0.03 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.09 1dba s VAL 206 N 1.25 2.14 0.16 3.82 1.01 -1.26 -5.03 120.40 122.48 1dba s VAL 206 Ca 0.71 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1dba s VAL 206 Cb -0.44 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1dba s VAL 206 CO 0.31 0.35 -0.17 0.28 0.00 0.00 0.00 175.10 175.88 1dba s THR 207 N 1.23 1.69 -0.06 3.92 -1.32 -1.26 -1.51 115.64 118.34 1dba s THR 207 Ca 0.00 -1.90 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 1dba s THR 207 Cb -0.15 -1.79 -0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1dba s THR 207 CO -0.10 -0.37 -0.19 0.00 -2.21 0.00 0.00 174.62 171.75 1dba s ASN 209 N 0.13 4.73 -0.18 0.00 -0.87 0.57 -1.76 114.94 117.57 1dba s ASN 209 Ca -0.08 -1.92 -0.04 0.00 -1.57 0.00 0.00 52.86 49.25 1dba s ASN 209 Cb -0.14 -1.63 -0.02 0.00 -0.02 0.00 0.00 41.25 39.44 1dba s ASN 209 CO 0.04 -0.34 -0.03 0.68 -2.57 0.00 0.00 177.10 174.88 1dba s VAL 210 N 0.98 3.86 -0.14 1.60 -7.23 -0.92 -1.29 120.40 117.26 1dba s VAL 210 Ca 0.05 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.85 1dba s VAL 210 Cb -0.20 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1dba s VAL 210 CO -0.07 0.47 -0.09 0.00 -0.31 0.00 0.00 175.10 175.10 1dba s ALA 211 N 0.67 2.77 -0.51 1.32 0.00 -0.84 -0.88 121.76 124.29 1dba s ALA 211 Ca -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1dba s ALA 211 Cb -0.14 -1.36 0.13 0.00 0.00 0.00 0.00 23.12 21.75 1dba s ALA 211 CO 0.02 0.22 0.26 -1.58 0.00 0.00 0.00 175.76 174.67 1dba s HIS 212 N 0.39 3.32 0.32 0.00 2.46 -0.23 -1.58 115.29 119.96 1dba s HIS 212 Ca -0.08 -3.06 0.09 0.00 0.47 0.00 0.00 55.06 52.48 1dba s HIS 212 Cb -0.15 -2.91 0.84 0.00 -0.13 0.00 0.00 32.58 30.23 1dba s HIS 212 CO 0.04 -0.79 1.76 -1.35 -2.47 0.00 0.00 174.74 171.93 1dba h PRO 213 N 6.79 0.63 0.00 2.88 0.11 -1.79 -1.66 132.00 138.95 1dba h PRO 213 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1dba h PRO 213 Cb 0.92 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1dba h PRO 213 CO 0.67 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.88 1dba n ALA 214 N -2.34 1.26 -0.34 -0.75 0.00 -1.26 -2.42 120.51 114.66 1dba n ALA 214 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1dba n ALA 214 Cb 0.67 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1dba n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dba n SER 215 N -1.58 1.03 -3.32 0.00 3.41 -0.63 -4.92 113.62 107.61 1dba n SER 215 Ca 0.01 -1.37 -0.16 0.00 -0.26 0.00 0.00 58.87 57.10 1dba n SER 215 Cb 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1dba n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dba n SER 216 N -0.18 -4.08 -4.10 4.04 7.64 -1.01 -4.98 113.62 110.94 1dba n SER 216 Ca 0.00 -0.65 -0.17 0.00 1.01 0.00 0.00 58.87 59.06 1dba n SER 216 Cb 0.22 -5.10 -0.12 0.00 -1.01 0.00 0.00 64.21 58.20 1dba n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1dba s THR 217 N -3.37 0.83 -0.13 0.44 2.01 -1.22 -5.04 115.64 109.16 1dba s THR 217 Ca 0.20 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1dba s THR 217 Cb -0.03 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.73 1dba s THR 217 CO 0.72 -0.19 0.29 -0.54 -0.69 0.00 0.00 174.62 174.22 1dba s LYS 218 N -1.35 0.23 0.19 4.92 1.02 -1.26 -1.07 119.74 122.43 1dba s LYS 218 Ca -0.04 0.66 0.10 0.00 0.02 0.00 0.00 55.97 56.72 1dba s LYS 218 Cb -0.09 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 1dba s LYS 218 CO 0.01 -0.20 -0.21 0.14 -0.92 0.00 0.00 175.35 174.18 1dba s VAL 219 N 1.64 2.11 -0.15 3.17 -7.23 -0.06 -4.97 120.40 114.91 1dba s VAL 219 Ca -0.06 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1dba s VAL 219 Cb -0.10 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1dba s VAL 219 CO -0.10 -0.25 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.49 1dba s ASP 220 N -2.78 3.74 -0.02 4.85 1.11 -1.26 -2.17 116.67 120.14 1dba s ASP 220 Ca 0.20 -0.44 0.08 0.00 0.18 0.00 0.00 52.55 52.57 1dba s ASP 220 Cb -0.06 -1.57 -0.02 0.00 1.07 0.00 0.00 42.92 42.34 1dba s ASP 220 CO 0.09 0.11 -0.26 -0.54 1.18 0.00 0.00 175.17 175.75 1dba s LYS 221 N 0.69 2.17 -0.18 8.23 -0.14 -0.72 -4.94 119.74 124.84 1dba s LYS 221 Ca -0.07 -0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 53.50 1dba s LYS 221 Cb -0.16 -2.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 1dba s LYS 221 CO 0.02 0.54 0.20 0.21 -0.76 0.00 0.00 175.35 175.56 1dba s LYS 222 N -0.56 4.22 -0.18 1.68 2.36 -1.26 -0.30 119.74 125.70 1dba s LYS 222 Ca 0.08 -0.09 -0.24 0.00 -2.55 0.00 0.00 55.97 53.17 1dba s LYS 222 Cb -0.10 -3.42 -0.02 0.00 -1.05 0.00 0.00 37.83 33.23 1dba s LYS 222 CO -0.00 0.27 0.79 0.42 1.55 0.00 0.00 175.35 178.37 1dba s ILE 223 N 0.42 4.91 0.01 5.43 -1.09 -0.57 -4.99 121.20 125.32 1dba s ILE 223 Ca 0.12 1.54 0.04 0.00 -2.23 0.00 0.00 60.65 60.12 1dba s ILE 223 Cb -0.12 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1dba s ILE 223 CO 0.00 0.04 -0.14 0.68 -1.23 0.00 0.00 174.94 174.30 1dba s VAL 226 N 2.12 1.09 0.09 2.92 -7.23 -1.26 -4.65 120.40 113.48 1dba s VAL 226 Ca 0.36 -0.75 -0.32 0.00 -1.81 0.00 0.00 61.98 59.46 1dba s VAL 226 Cb -0.16 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 35.73 1dba s VAL 226 CO 0.12 0.18 1.82 -2.65 -0.31 0.00 0.00 175.10 174.25 1dba n PRO 227 N 2.39 2.62 0.00 4.82 -0.02 -1.26 -4.87 135.00 138.68 1dba n PRO 227 Ca -0.16 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1dba n PRO 227 Cb 0.55 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1dba n PRO 227 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35