#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnr s SER 2 N 0.00 4.17 0.05 3.17 1.04 -1.26 -4.33 113.70 116.54 2nnr s SER 2 Ca 0.00 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.32 2nnr s SER 2 Cb 0.00 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 2nnr s SER 2 CO 0.00 -0.42 -0.10 -1.00 0.98 0.00 0.00 173.24 172.71 2nnr s HIS 3 N -2.61 0.82 -0.09 5.02 4.02 -0.73 -5.02 115.29 116.70 2nnr s HIS 3 Ca 0.37 -0.46 0.00 0.00 1.02 0.00 0.00 55.06 56.00 2nnr s HIS 3 Cb 0.05 -0.48 0.02 0.00 -1.02 0.00 0.00 32.58 31.14 2nnr s HIS 3 CO 0.20 -0.04 -0.08 0.21 1.02 0.00 0.00 174.74 176.05 2nnr s LYS 4 N -1.52 1.46 0.06 1.40 2.47 -1.26 0.49 119.74 122.84 2nnr s LYS 4 Ca -0.07 -0.27 0.04 0.00 -1.56 0.00 0.00 55.97 54.11 2nnr s LYS 4 Cb -0.09 -1.44 -0.03 0.00 -1.46 0.00 0.00 37.83 34.81 2nnr s LYS 4 CO 0.01 -0.17 -0.11 0.14 0.16 0.00 0.00 175.35 175.38 2nnr s VAL 5 N 1.36 0.83 0.32 4.02 -7.23 0.12 -4.98 120.40 114.84 2nnr s VAL 5 Ca -0.02 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2nnr s VAL 5 Cb -0.14 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 2nnr s VAL 5 CO -0.04 -0.33 0.11 0.35 -0.31 0.00 0.00 175.10 174.87 2nnr n THR 6 N 1.29 0.00 0.21 5.32 -2.24 -1.26 -0.47 114.28 117.14 2nnr n THR 6 Ca -0.21 -1.83 0.12 0.00 -2.27 0.00 0.00 64.05 59.85 2nnr n THR 6 Cb 0.55 0.64 0.69 0.00 -2.10 0.00 0.00 70.33 70.11 2nnr n THR 6 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nnr h LYS 7 N 0.00 0.00 -0.28 -0.78 3.64 -2.00 -1.20 116.57 115.96 2nnr h LYS 7 Ca -0.25 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2nnr h LYS 7 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2nnr h LYS 7 CO 0.40 0.00 0.29 0.00 -2.27 0.00 0.00 179.45 177.86 2nnr h ALA 8 N 1.94 1.97 -0.38 5.00 0.00 -1.96 -1.26 119.26 124.57 2nnr h ALA 8 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nnr h ALA 8 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nnr h ALA 8 CO -0.00 -0.43 0.00 0.72 0.00 0.00 0.00 179.25 179.54 2nnr n HIS 9 N -3.84 0.56 -1.67 0.00 8.25 -0.45 -4.97 115.22 113.10 2nnr n HIS 9 Ca 0.04 -0.27 -0.47 0.00 -0.26 0.00 0.00 57.72 56.76 2nnr n HIS 9 Cb 0.44 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2nnr n HIS 9 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2nnr n ASN 10 N 0.61 3.26 0.00 0.41 5.15 -0.48 -0.54 115.26 123.67 2nnr n ASN 10 Ca 0.13 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 2nnr n ASN 10 Cb 0.36 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 2nnr n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nnr n GLY 11 N 3.83 1.53 3.77 8.20 0.00 0.22 -4.96 105.19 117.78 2nnr n GLY 11 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2nnr n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnr s ALA 12 N -2.65 2.40 -0.15 4.61 0.00 0.30 -4.75 121.76 121.52 2nnr s ALA 12 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2nnr s ALA 12 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2nnr s ALA 12 CO 0.00 -1.42 -0.04 0.99 0.00 0.00 0.00 175.76 175.28 2nnr s THR 13 N -2.50 3.86 -0.12 0.00 2.01 -1.26 -1.30 115.64 116.33 2nnr s THR 13 Ca 0.65 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 2nnr s THR 13 Cb -0.20 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2nnr s THR 13 CO 0.46 0.50 0.01 -0.76 -0.69 0.00 0.00 174.62 174.14 2nnr s LEU 14 N 0.32 3.60 -0.24 4.42 1.02 0.08 -4.98 118.68 122.90 2nnr s LEU 14 Ca -0.04 0.09 -0.16 0.00 0.02 0.00 0.00 54.13 54.04 2nnr s LEU 14 Cb -0.14 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 2nnr s LEU 14 CO 0.03 0.30 0.42 -0.89 0.02 0.00 0.00 176.35 176.22 2nnr s THR 15 N -0.38 5.16 0.15 5.49 2.01 -1.26 -0.69 115.64 126.11 2nnr s THR 15 Ca 0.08 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 2nnr s THR 15 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2nnr s THR 15 CO 0.02 0.17 0.04 0.68 -0.69 0.00 0.00 174.62 174.84 2nnr s VAL 16 N 1.86 0.29 0.07 3.82 -7.23 -0.41 -4.96 120.40 113.83 2nnr s VAL 16 Ca 0.18 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 2nnr s VAL 16 Cb -0.15 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2nnr s VAL 16 CO 0.09 -0.47 0.30 0.00 -0.31 0.00 0.00 175.10 174.71 2nnr s ALA 17 N -3.92 3.86 0.28 1.32 0.00 -1.26 -2.45 121.76 119.58 2nnr s ALA 17 Ca 0.24 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 2nnr s ALA 17 Cb 0.07 -2.05 -0.13 0.00 0.00 0.00 0.00 23.12 21.02 2nnr s ALA 17 CO 0.03 0.69 1.45 0.28 0.00 0.00 0.00 175.76 178.21 2nnr n VAL 18 N 0.59 1.16 0.00 0.00 0.31 -1.26 -1.33 118.33 117.80 2nnr n VAL 18 Ca -0.07 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2nnr n VAL 18 Cb 0.52 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2nnr n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nnr n GLY 19 N 1.90 1.22 3.81 2.92 0.00 0.12 -5.00 105.19 110.14 2nnr n GLY 19 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2nnr n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nnr s GLU 20 N -0.69 4.35 -0.13 1.61 2.12 -0.44 -4.78 118.70 120.73 2nnr s GLU 20 Ca 0.00 1.14 -0.14 0.00 0.36 0.00 0.00 54.97 56.32 2nnr s GLU 20 Cb 0.00 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 2nnr s GLU 20 CO 0.00 0.15 0.33 -1.17 -0.54 0.00 0.00 175.26 174.03 2nnr s LEU 21 N -2.61 4.28 -0.19 2.70 0.20 -1.26 -3.05 118.68 118.75 2nnr s LEU 21 Ca 0.55 0.61 -0.02 0.00 0.69 0.00 0.00 54.13 55.96 2nnr s LEU 21 Cb -0.14 -2.45 -0.01 0.00 -0.43 0.00 0.00 46.19 43.17 2nnr s LEU 21 CO 0.18 0.12 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.58 2nnr s VAL 22 N 0.27 3.09 -0.26 1.68 1.01 0.09 -1.77 120.40 124.51 2nnr s VAL 22 Ca 0.19 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2nnr s VAL 22 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2nnr s VAL 22 CO 0.06 0.47 0.37 -0.70 0.00 0.00 0.00 175.10 175.31 2nnr s GLU 23 N 1.08 4.04 -0.20 2.72 2.12 0.18 -0.76 118.70 127.88 2nnr s GLU 23 Ca 0.00 0.06 -0.05 0.00 0.36 0.00 0.00 54.97 55.34 2nnr s GLU 23 Cb -0.15 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2nnr s GLU 23 CO -0.02 -0.24 0.01 0.42 -0.54 0.00 0.00 175.26 174.90 2nnr s ILE 24 N 1.95 4.04 -0.19 -3.70 1.01 0.39 0.10 121.20 124.81 2nnr s ILE 24 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2nnr s ILE 24 Cb -0.16 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 2nnr s ILE 24 CO 0.09 0.42 -0.11 -1.10 0.00 0.00 0.00 174.94 174.24 2nnr s GLN 25 N 1.03 3.26 -0.01 2.79 -0.21 0.39 -0.53 119.66 126.38 2nnr s GLN 25 Ca 0.02 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 54.75 2nnr s GLN 25 Cb -0.14 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 2nnr s GLN 25 CO 0.02 -0.10 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.42 2nnr s LEU 26 N 1.14 2.03 0.45 2.90 1.43 -0.09 -3.75 118.68 122.79 2nnr s LEU 26 Ca 0.01 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 2nnr s LEU 26 Cb -0.14 -0.82 -0.08 0.00 0.03 0.00 0.00 46.19 45.18 2nnr s LEU 26 CO -0.04 0.19 1.27 -2.84 0.23 0.00 0.00 176.35 175.17 2nnr s PRO 27 N -0.36 3.76 -0.28 1.29 0.02 -1.26 -0.09 135.00 138.07 2nnr s PRO 27 Ca 0.06 2.05 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 2nnr s PRO 27 Cb -0.06 -2.56 0.08 0.00 0.02 0.00 0.00 34.50 31.97 2nnr s PRO 27 CO -0.01 -0.63 0.70 0.45 -0.33 0.00 0.00 177.00 177.19 2nnr s SER 28 N -0.97 -0.86 -0.38 2.53 0.15 -0.57 -4.76 113.70 108.84 2nnr s SER 28 Ca 0.61 1.49 0.02 0.00 0.70 0.00 0.00 55.95 58.78 2nnr s SER 28 Cb -0.35 1.42 0.11 0.00 -1.71 0.00 0.00 66.02 65.49 2nnr s SER 28 CO 0.44 -0.24 0.12 0.21 1.20 0.00 0.00 173.24 174.97 2nnr s ASN 29 N 1.12 4.34 0.41 5.45 3.84 -1.26 -0.54 114.94 128.30 2nnr s ASN 29 Ca -0.06 -2.24 0.28 0.00 0.21 0.00 0.00 52.86 51.06 2nnr s ASN 29 Cb -0.05 -1.35 1.43 0.00 -0.55 0.00 0.00 41.25 40.73 2nnr s ASN 29 CO -0.11 -0.35 1.86 1.55 -2.79 0.00 0.00 177.10 177.26 2nnr h PRO 30 N 7.42 0.00 0.00 0.43 0.13 -1.90 -1.69 132.00 136.39 2nnr h PRO 30 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2nnr h PRO 30 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2nnr h PRO 30 CO 0.53 0.00 0.00 1.15 -0.23 0.00 0.00 178.00 179.45 2nnr h THR 31 N 0.00 0.00 0.00 1.56 2.02 -1.91 -1.60 112.91 112.98 2nnr h THR 31 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2nnr h THR 31 Cb 0.13 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2nnr h THR 31 CO 0.00 0.00 -0.23 0.35 0.37 0.00 0.00 175.52 176.01 2nnr n THR 32 N -2.40 0.43 0.00 3.16 -2.24 -0.64 -4.94 114.28 107.65 2nnr n THR 32 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2nnr n THR 32 Cb 0.23 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2nnr n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnr n GLY 33 N 1.35 2.90 3.82 3.38 0.00 -0.60 -5.00 105.19 111.03 2nnr n GLY 33 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2nnr n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnr s PHE 34 N -2.51 3.37 0.37 1.61 0.08 -1.26 -4.31 117.98 115.33 2nnr s PHE 34 Ca 0.00 1.60 -0.07 0.00 0.12 0.00 0.00 56.93 58.58 2nnr s PHE 34 Cb 0.00 -2.83 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2nnr s PHE 34 CO 0.00 -0.05 0.60 0.00 -0.10 0.00 0.00 175.22 175.67 2nnr s ALA 35 N -2.08 0.27 -0.11 5.36 0.00 -0.55 -4.32 121.76 120.33 2nnr s ALA 35 Ca 0.60 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2nnr s ALA 35 Cb -0.10 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 2nnr s ALA 35 CO 0.15 -0.86 0.41 -1.58 0.00 0.00 0.00 175.76 173.87 2nnr s TRP 36 N -2.69 3.53 0.03 0.00 0.52 -1.26 -0.90 118.94 118.17 2nnr s TRP 36 Ca 0.25 0.81 -0.02 0.00 0.02 0.00 0.00 56.10 57.16 2nnr s TRP 36 Cb -0.02 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 2nnr s TRP 36 CO 0.18 0.27 0.02 0.71 0.02 0.00 0.00 176.95 178.15 2nnr s TYR 37 N 0.30 0.28 0.79 -1.98 2.02 -0.38 -4.84 117.35 113.55 2nnr s TYR 37 Ca 0.22 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 2nnr s TYR 37 Cb -0.15 -0.21 0.06 0.00 -0.40 0.00 0.00 41.96 41.27 2nnr s TYR 37 CO 0.09 -0.29 1.10 -0.06 -1.57 0.00 0.00 175.55 174.81 2nnr s PHE 38 N -2.32 2.87 0.62 2.71 0.40 0.08 -1.27 117.98 121.07 2nnr s PHE 38 Ca -0.08 1.14 -0.18 0.00 -0.60 0.00 0.00 56.93 57.22 2nnr s PHE 38 Cb -0.03 -3.12 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 2nnr s PHE 38 CO -0.04 -1.72 1.19 -1.21 0.70 0.00 0.00 175.22 174.15 2nnr s GLU 39 N -5.17 2.83 0.00 0.44 0.41 -1.26 -1.27 118.70 114.68 2nnr s GLU 39 Ca 0.61 1.76 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 2nnr s GLU 39 Cb -0.14 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 2nnr s GLU 39 CO 0.54 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 174.42 2nnr n GLY 40 N 0.37 1.23 1.69 -1.39 0.00 -1.26 -4.45 105.19 101.39 2nnr n GLY 40 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2nnr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnr n GLY 41 N -2.00 0.69 3.32 -0.02 0.00 -0.39 -5.06 105.19 101.72 2nnr n GLY 41 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 2nnr n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nnr s THR 42 N -3.04 1.61 -2.10 2.61 -1.32 -1.17 -4.94 115.64 107.29 2nnr s THR 42 Ca 0.06 -2.11 0.25 0.00 -1.21 0.00 0.00 61.69 58.69 2nnr s THR 42 Cb -0.03 -1.94 0.24 0.00 -1.51 0.00 0.00 72.50 69.26 2nnr s THR 42 CO 0.09 -0.58 1.44 0.29 -2.21 0.00 0.00 174.62 173.66 2nnr n LYS 43 N -0.19 1.24 -3.02 7.08 4.76 -1.26 -0.75 118.16 126.03 2nnr n LYS 43 Ca -0.10 -0.87 -0.33 0.00 -2.87 0.00 0.00 58.31 54.15 2nnr n LYS 43 Cb 0.60 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 2nnr n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nnr s GLU 44 N -2.35 4.08 0.31 1.97 0.41 -1.26 -4.83 118.70 117.04 2nnr s GLU 44 Ca 0.26 0.83 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 2nnr s GLU 44 Cb 0.19 -2.34 -0.12 0.00 -1.78 0.00 0.00 34.13 30.08 2nnr s GLU 44 CO 0.48 0.09 1.42 0.45 -0.49 0.00 0.00 175.26 177.20 2nnr n SER 45 N -0.48 3.19 0.24 -0.19 2.88 -1.26 -4.78 113.62 113.22 2nnr n SER 45 Ca 0.05 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 2nnr n SER 45 Cb 0.53 -1.52 0.62 0.00 -0.75 0.00 0.00 64.21 63.10 2nnr n SER 45 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2nnr h PRO 46 N 3.49 0.00 -2.41 -1.46 0.11 -1.95 -3.39 132.00 126.39 2nnr h PRO 46 Ca -0.47 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.22 2nnr h PRO 46 Cb 1.26 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.01 2nnr h PRO 46 CO 0.69 0.16 -0.70 1.21 -0.21 0.00 0.00 178.00 179.15 2nnr s ASN 47 N -6.50 2.45 0.59 -2.05 3.84 -1.26 -5.01 114.94 106.99 2nnr s ASN 47 Ca -0.03 -1.05 0.36 0.00 0.21 0.00 0.00 52.86 52.34 2nnr s ASN 47 Cb 0.14 0.14 1.80 0.00 -0.55 0.00 0.00 41.25 42.78 2nnr s ASN 47 CO 0.63 -0.40 2.16 -0.33 -2.79 0.00 0.00 177.10 176.38 2nnr h GLU 48 N 8.24 0.00 0.00 0.43 4.39 -1.77 -1.21 114.58 124.66 2nnr h GLU 48 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2nnr h GLU 48 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2nnr h GLU 48 CO 0.37 0.04 0.00 0.66 -1.16 0.00 0.00 179.01 178.92 2nnr h SER 49 N 0.00 0.00 0.01 1.42 4.64 -1.97 -3.33 113.55 114.32 2nnr h SER 49 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2nnr h SER 49 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 2nnr h SER 49 CO 0.01 0.00 -2.07 0.23 -0.87 0.00 0.00 176.83 174.12 2nnr n MET 50 N -2.45 0.60 -3.56 4.77 2.81 -0.53 -3.90 117.12 114.85 2nnr n MET 50 Ca 0.05 0.36 -0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2nnr n MET 50 Cb 0.41 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 2nnr n MET 50 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2nnr s PHE 51 N -2.47 -0.45 0.24 2.03 -0.12 -0.75 -0.16 117.98 116.30 2nnr s PHE 51 Ca -0.34 0.53 0.10 0.00 -0.05 0.00 0.00 56.93 57.17 2nnr s PHE 51 Cb 0.11 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2nnr s PHE 51 CO 0.56 -0.65 -0.10 -0.08 -0.05 0.00 0.00 175.22 174.90 2nnr s THR 52 N -2.35 3.02 -0.03 -4.49 -1.32 -0.27 -3.94 115.64 106.25 2nnr s THR 52 Ca -0.06 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.44 2nnr s THR 52 Cb -0.01 -2.56 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 2nnr s THR 52 CO -0.01 -0.29 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.38 2nnr s VAL 53 N -2.16 0.47 0.18 5.08 1.01 -1.26 -0.74 120.40 122.97 2nnr s VAL 53 Ca 0.28 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2nnr s VAL 53 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2nnr s VAL 53 CO 0.16 0.19 -0.13 -1.61 0.00 0.00 0.00 175.10 173.71 2nnr s GLU 54 N 0.65 1.92 0.04 2.72 2.02 -0.17 -4.78 118.70 121.10 2nnr s GLU 54 Ca -0.08 -1.31 -0.07 0.00 0.02 0.00 0.00 54.97 53.53 2nnr s GLU 54 Cb -0.11 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 2nnr s GLU 54 CO -0.00 0.43 0.12 0.54 0.02 0.00 0.00 175.26 176.37 2nnr s ASN 55 N -2.72 0.14 -0.13 -0.19 4.22 -1.26 -0.18 114.94 114.82 2nnr s ASN 55 Ca 0.23 -0.50 -0.17 0.00 -2.14 0.00 0.00 52.86 50.29 2nnr s ASN 55 Cb -0.09 0.25 0.04 0.00 1.28 0.00 0.00 41.25 42.73 2nnr s ASN 55 CO 0.14 -0.53 0.44 -0.75 -2.04 0.00 0.00 177.10 174.35 2nnr s LYS 56 N -2.66 0.59 -0.10 3.55 2.20 -0.40 -5.01 119.74 117.91 2nnr s LYS 56 Ca -0.04 0.43 -0.12 0.00 -0.36 0.00 0.00 55.97 55.87 2nnr s LYS 56 Cb -0.01 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.55 2nnr s LYS 56 CO -0.05 -0.11 0.27 -0.47 -0.36 0.00 0.00 175.35 174.64 2nnr s TYR 57 N -0.19 3.58 -0.24 4.03 5.04 -1.26 -0.54 117.35 127.77 2nnr s TYR 57 Ca -0.04 0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 55.27 2nnr s TYR 57 Cb -0.03 -2.19 0.03 0.00 0.35 0.00 0.00 41.96 40.12 2nnr s TYR 57 CO 0.02 0.52 -0.08 -0.06 -1.34 0.00 0.00 175.55 174.61 2nnr s PHE 58 N -0.48 3.07 0.78 4.97 0.40 0.33 -5.00 117.98 122.06 2nnr s PHE 58 Ca 0.18 -1.72 -0.11 0.00 -0.60 0.00 0.00 56.93 54.68 2nnr s PHE 58 Cb -0.14 -2.02 0.06 0.00 0.51 0.00 0.00 43.02 41.43 2nnr s PHE 58 CO 0.06 -0.77 1.09 -1.25 0.70 0.00 0.00 175.22 175.05 2nnr s PRO 59 N 1.28 2.24 0.40 0.24 0.04 -1.26 -1.46 135.00 136.47 2nnr s PRO 59 Ca -0.01 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 2nnr s PRO 59 Cb -0.17 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2nnr s PRO 59 CO -0.06 -1.65 1.24 -1.25 0.04 0.00 0.00 177.00 175.33 2nnr s PRO 60 N -4.92 4.04 0.55 0.56 0.04 -1.26 -4.85 135.00 129.16 2nnr s PRO 60 Ca 0.61 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.89 2nnr s PRO 60 Cb -0.17 -2.75 1.49 0.00 0.04 0.00 0.00 34.50 33.11 2nnr s PRO 60 CO 0.56 -0.39 2.16 -0.44 0.04 0.00 0.00 177.00 178.93 2nnr h ASP 61 N 2.72 0.00 0.36 6.66 3.32 -1.93 -2.35 116.42 125.21 2nnr h ASP 61 Ca -0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2nnr h ASP 61 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2nnr h ASP 61 CO 0.63 0.00 -0.08 0.77 -1.72 0.00 0.00 179.24 178.84 2nnr h SER 62 N 0.00 0.00 -0.66 6.45 4.64 -1.98 -3.46 113.55 118.54 2nnr h SER 62 Ca 0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.07 2nnr h SER 62 Cb 0.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.15 2nnr h SER 62 CO -0.00 0.08 -0.26 0.29 -0.87 0.00 0.00 176.83 176.07 2nnr n LYS 63 N -3.51 -1.43 -2.45 4.77 5.02 -0.89 -4.95 118.16 114.73 2nnr n LYS 63 Ca -0.02 0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 2nnr n LYS 63 Cb 0.21 -5.29 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 2nnr n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nnr s LEU 64 N -3.18 4.48 0.24 -0.35 1.43 -1.26 -4.95 118.68 115.09 2nnr s LEU 64 Ca 0.00 2.18 -0.31 0.00 -1.03 0.00 0.00 54.13 54.97 2nnr s LEU 64 Cb 0.00 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.49 2nnr s LEU 64 CO 0.00 -0.28 1.65 0.18 0.23 0.00 0.00 176.35 178.13 2nnr n LEU 65 N 2.25 3.99 0.00 1.79 4.77 -1.26 -2.29 117.00 126.25 2nnr n LEU 65 Ca 0.03 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2nnr n LEU 65 Cb 0.45 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2nnr n LEU 65 CO 0.55 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2nnr n GLY 66 N 3.18 1.12 3.81 -0.72 0.00 -1.26 -5.02 105.19 106.29 2nnr n GLY 66 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2nnr n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnr s ALA 67 N -3.37 3.51 0.63 4.61 0.00 -0.97 -4.93 121.76 121.25 2nnr s ALA 67 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2nnr s ALA 67 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2nnr s ALA 67 CO 0.00 0.36 1.04 0.20 0.00 0.00 0.00 175.76 177.36 2nnr s GLY 68 N -1.30 1.78 0.00 0.00 0.00 -1.26 -4.76 107.32 101.78 2nnr s GLY 68 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2nnr s GLY 68 CO 0.21 0.37 0.00 0.61 0.00 0.00 0.00 173.10 174.29 2nnr n GLY 69 N -2.07 5.22 2.84 0.20 0.00 0.30 -4.22 105.19 107.46 2nnr n GLY 69 Ca 0.07 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 2nnr n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nnr s THR 70 N 3.14 -0.04 -0.03 2.61 -4.23 -0.53 -1.51 115.64 115.05 2nnr s THR 70 Ca 0.00 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 2nnr s THR 70 Cb 0.00 -0.11 -0.05 0.00 1.34 0.00 0.00 72.50 73.68 2nnr s THR 70 CO 0.00 0.06 0.40 -1.61 -0.54 0.00 0.00 174.62 172.93 2nnr s GLU 71 N 0.83 3.97 -0.15 3.99 2.02 0.87 -0.51 118.70 129.71 2nnr s GLU 71 Ca -0.07 0.38 -0.02 0.00 0.02 0.00 0.00 54.97 55.28 2nnr s GLU 71 Cb -0.09 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 2nnr s GLU 71 CO -0.03 0.61 -0.09 -1.01 0.02 0.00 0.00 175.26 174.76 2nnr s HIS 72 N -0.80 2.89 -0.17 1.61 3.76 0.30 -0.91 115.29 121.97 2nnr s HIS 72 Ca 0.23 -0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 2nnr s HIS 72 Cb -0.16 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 2nnr s HIS 72 CO 0.12 -0.25 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.66 2nnr s PHE 73 N 0.60 3.00 -0.34 1.40 0.08 0.31 -1.28 117.98 121.76 2nnr s PHE 73 Ca -0.06 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.49 2nnr s PHE 73 Cb -0.15 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2nnr s PHE 73 CO 0.03 -0.12 0.16 -1.01 -0.10 0.00 0.00 175.22 174.17 2nnr s HIS 74 N 0.56 3.21 -0.21 0.36 3.76 0.75 -0.46 115.29 123.25 2nnr s HIS 74 Ca -0.03 -0.85 -0.07 0.00 -0.15 0.00 0.00 55.06 53.95 2nnr s HIS 74 Cb -0.14 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 2nnr s HIS 74 CO 0.03 -0.57 0.06 0.08 -0.85 0.00 0.00 174.74 173.48 2nnr s VAL 75 N 1.56 4.51 -0.20 -0.90 1.01 0.07 -1.00 120.40 125.44 2nnr s VAL 75 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2nnr s VAL 75 Cb -0.18 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 2nnr s VAL 75 CO 0.06 0.41 -0.09 -0.89 0.00 0.00 0.00 175.10 174.58 2nnr s THR 76 N 0.88 2.98 0.11 3.92 2.01 0.08 -0.74 115.64 124.89 2nnr s THR 76 Ca 0.03 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2nnr s THR 76 Cb -0.14 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 2nnr s THR 76 CO 0.02 0.47 1.08 -0.69 -0.69 0.00 0.00 174.62 174.81 2nnr s VAL 77 N 1.30 4.16 -0.08 3.82 1.01 -1.17 -1.11 120.40 128.33 2nnr s VAL 77 Ca 0.04 1.72 0.13 0.00 0.00 0.00 0.00 61.98 63.87 2nnr s VAL 77 Cb -0.14 -4.10 -0.20 0.00 0.00 0.00 0.00 36.38 31.94 2nnr s VAL 77 CO -0.05 0.23 0.32 0.29 0.00 0.00 0.00 175.10 175.89 2nnr n LYS 78 N 3.04 0.65 -4.00 2.72 4.76 0.78 0.11 118.16 126.21 2nnr n LYS 78 Ca 0.05 -0.11 -0.09 0.00 -2.87 0.00 0.00 58.31 55.29 2nnr n LYS 78 Cb 0.47 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 2nnr n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2nnr s ALA 79 N -2.86 0.19 0.58 7.82 0.00 -1.10 -4.87 121.76 121.51 2nnr s ALA 79 Ca -0.04 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 2nnr s ALA 79 Cb 0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2nnr s ALA 79 CO 0.56 -0.26 1.21 0.00 0.00 0.00 0.00 175.76 177.27 2nnr s ALA 80 N -2.48 2.60 0.00 0.00 0.00 -1.26 -4.82 121.76 115.81 2nnr s ALA 80 Ca -0.06 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2nnr s ALA 80 Cb -0.02 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2nnr s ALA 80 CO -0.05 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2nnr n GLY 81 N 0.50 2.69 3.36 0.00 0.00 -0.62 -4.96 105.19 106.15 2nnr n GLY 81 Ca 0.13 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2nnr n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnr s THR 82 N -1.80 4.61 -0.18 2.61 2.01 -1.26 -0.00 115.64 121.63 2nnr s THR 82 Ca 0.00 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2nnr s THR 82 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2nnr s THR 82 CO 0.00 -0.35 0.01 -1.00 -0.69 0.00 0.00 174.62 172.59 2nnr s HIS 83 N 1.54 3.11 -0.12 4.92 4.02 0.49 -4.87 115.29 124.38 2nnr s HIS 83 Ca 0.03 -0.20 -0.24 0.00 1.02 0.00 0.00 55.06 55.67 2nnr s HIS 83 Cb -0.21 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.58 29.29 2nnr s HIS 83 CO 0.06 -0.02 0.75 0.00 1.02 0.00 0.00 174.74 176.55 2nnr s ALA 84 N 0.52 3.43 -0.38 -1.40 0.00 -1.26 -0.47 121.76 122.19 2nnr s ALA 84 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 2nnr s ALA 84 Cb -0.14 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.97 2nnr s ALA 84 CO 0.02 -0.38 0.19 0.08 0.00 0.00 0.00 175.76 175.67 2nnr s VAL 85 N 1.48 4.09 -0.23 0.00 1.01 -0.41 -5.01 120.40 121.33 2nnr s VAL 85 Ca 0.37 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2nnr s VAL 85 Cb -0.17 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2nnr s VAL 85 CO 0.15 -0.35 -0.10 0.20 0.00 0.00 0.00 175.10 175.00 2nnr s ASN 86 N 1.75 4.07 0.18 3.32 0.02 -1.26 -1.93 114.94 121.09 2nnr s ASN 86 Ca 0.01 -0.86 0.11 0.00 -1.02 0.00 0.00 52.86 51.10 2nnr s ASN 86 Cb -0.21 -1.61 -0.04 0.00 0.02 0.00 0.00 41.25 39.40 2nnr s ASN 86 CO 0.03 -0.10 -0.23 -0.76 0.02 0.00 0.00 177.10 176.06 2nnr s LEU 87 N 1.30 2.42 -0.01 0.60 1.43 0.11 -4.47 118.68 120.06 2nnr s LEU 87 Ca 0.00 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2nnr s LEU 87 Cb -0.16 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 2nnr s LEU 87 CO -0.06 0.09 -0.05 -0.89 0.23 0.00 0.00 176.35 175.66 2nnr s THR 88 N -1.67 0.43 -0.41 5.49 2.01 -0.39 -0.90 115.64 120.19 2nnr s THR 88 Ca 0.18 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 2nnr s THR 88 Cb -0.08 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.08 2nnr s THR 88 CO 0.09 0.12 0.63 -0.47 -0.69 0.00 0.00 174.62 174.30 2nnr s TYR 89 N -0.10 3.10 0.07 4.92 5.04 0.09 -1.25 117.35 129.23 2nnr s TYR 89 Ca 0.02 0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 54.53 2nnr s TYR 89 Cb -0.02 -3.25 0.04 0.00 0.35 0.00 0.00 41.96 39.07 2nnr s TYR 89 CO -0.00 -0.78 0.42 0.00 -1.34 0.00 0.00 175.55 173.85 2nnr s MET 90 N 2.75 0.99 -0.05 4.97 0.23 -0.08 -4.29 119.30 123.81 2nnr s MET 90 Ca 0.23 -0.48 -0.29 0.00 -1.03 0.00 0.00 55.69 54.12 2nnr s MET 90 Cb -0.14 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 2nnr s MET 90 CO 0.17 -0.36 0.96 1.03 -2.03 0.00 0.00 175.02 174.79 2nnr s ARG 91 N -2.96 4.49 0.52 3.16 0.52 -1.26 -1.48 118.95 121.93 2nnr s ARG 91 Ca -0.02 1.34 0.25 0.00 -0.52 0.00 0.00 55.73 56.78 2nnr s ARG 91 Cb 0.00 -3.49 1.42 0.00 0.52 0.00 0.00 34.95 33.40 2nnr s ARG 91 CO -0.06 -0.14 2.09 -1.00 0.02 0.00 0.00 175.30 176.20 2nnr h PRO 92 N 6.93 0.00 0.00 3.54 0.13 -1.93 -0.70 132.00 139.96 2nnr h PRO 92 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2nnr h PRO 92 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2nnr h PRO 92 CO 0.79 0.11 0.00 -2.67 -0.23 0.00 0.00 178.00 176.00 2nnr n TRP 93 N -3.81 0.21 -0.07 1.56 2.14 -1.26 -3.98 117.44 112.22 2nnr n TRP 93 Ca -0.02 0.07 -0.10 0.00 2.07 0.00 0.00 57.50 59.52 2nnr n TRP 93 Cb 0.21 -0.61 -0.08 0.00 -0.81 0.00 0.00 31.31 30.02 2nnr n TRP 93 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2nnr n THR 94 N -1.68 0.88 -1.09 -1.67 -2.24 -0.37 -5.13 114.28 102.99 2nnr n THR 94 Ca 0.05 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2nnr n THR 94 Cb 0.30 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 2nnr n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnr n GLY 95 N 2.63 -2.42 3.81 3.38 0.00 -0.62 -4.96 105.19 107.01 2nnr n GLY 95 Ca -0.26 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2nnr n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnr s PRO 96 N -0.68 3.72 0.23 1.61 0.04 -1.26 -4.65 135.00 134.00 2nnr s PRO 96 Ca 0.00 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2nnr s PRO 96 Cb 0.00 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 2nnr s PRO 96 CO 0.00 -0.48 0.28 -1.13 0.04 0.00 0.00 177.00 175.71 2nnr n SER 97 N -1.37 -0.76 0.27 6.66 3.41 -1.26 -5.02 113.62 115.54 2nnr n SER 97 Ca 0.08 -2.30 0.17 0.00 -0.26 0.00 0.00 58.87 56.56 2nnr n SER 97 Cb 0.53 1.50 0.73 0.00 -0.26 0.00 0.00 64.21 66.70 2nnr n SER 97 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2nnr h HIS 98 N 1.68 0.00 -0.60 7.33 2.07 -2.05 -2.12 115.15 121.47 2nnr h HIS 98 Ca -0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.35 2nnr h HIS 98 Cb 0.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.76 2nnr h HIS 98 CO 0.00 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.46 2nnr n ASP 99 N -2.97 3.94 -4.74 3.10 5.75 -1.26 -4.98 116.55 115.38 2nnr n ASP 99 Ca 0.00 -2.17 -0.41 0.00 -0.01 0.00 0.00 54.79 52.20 2nnr n ASP 99 Cb 0.26 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 2nnr n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2nnr s SER 100 N -1.03 6.92 0.17 -1.12 0.01 -0.80 -5.01 113.70 112.85 2nnr s SER 100 Ca 0.43 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.81 2nnr s SER 100 Cb 0.25 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 2nnr s SER 100 CO 0.26 -0.49 1.23 -0.70 0.41 0.00 0.00 173.24 173.94 2nnr s GLU 101 N -0.46 4.46 0.19 12.44 2.12 -1.26 -4.93 118.70 131.25 2nnr s GLU 101 Ca 0.54 1.91 0.10 0.00 0.36 0.00 0.00 54.97 57.88 2nnr s GLU 101 Cb -0.36 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 2nnr s GLU 101 CO 0.40 -0.15 -0.21 1.03 -0.54 0.00 0.00 175.26 175.80 2nnr s ARG 102 N -0.04 1.40 -0.03 4.30 0.52 -1.26 -0.73 118.95 123.11 2nnr s ARG 102 Ca 0.55 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2nnr s ARG 102 Cb -0.33 -1.56 0.03 0.00 0.52 0.00 0.00 34.95 33.60 2nnr s ARG 102 CO 0.36 0.32 0.00 0.12 0.02 0.00 0.00 175.30 176.12 2nnr s PHE 103 N -1.96 0.30 -0.01 -0.53 5.36 -0.08 -4.99 117.98 116.06 2nnr s PHE 103 Ca 0.19 0.00 0.04 0.00 -0.96 0.00 0.00 56.93 56.20 2nnr s PHE 103 Cb -0.06 -0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.22 2nnr s PHE 103 CO 0.09 -0.12 -0.12 0.99 -1.46 0.00 0.00 175.22 174.60 2nnr s THR 104 N 0.95 0.97 0.07 0.12 2.01 -1.26 -0.71 115.64 117.79 2nnr s THR 104 Ca -0.10 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.47 2nnr s THR 104 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2nnr s THR 104 CO -0.02 0.28 -0.19 0.54 -0.69 0.00 0.00 174.62 174.54 2nnr s VAL 105 N -0.18 1.53 -0.15 3.82 0.11 -0.81 0.69 120.40 125.41 2nnr s VAL 105 Ca 0.03 -1.31 -0.06 0.00 -2.93 0.00 0.00 61.98 57.71 2nnr s VAL 105 Cb -0.06 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 2nnr s VAL 105 CO -0.00 0.02 0.04 -0.31 -3.33 0.00 0.00 175.10 171.52 2nnr s TYR 106 N -1.01 3.24 -0.35 1.54 2.02 -0.42 -1.29 117.35 121.08 2nnr s TYR 106 Ca 0.05 0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2nnr s TYR 106 Cb -0.09 -1.99 0.06 0.00 -0.40 0.00 0.00 41.96 39.54 2nnr s TYR 106 CO 0.03 0.26 0.13 -0.51 -1.57 0.00 0.00 175.55 173.88 2nnr s LEU 107 N -0.04 4.51 -0.54 -1.29 1.43 0.38 -0.74 118.68 122.38 2nnr s LEU 107 Ca 0.05 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.62 2nnr s LEU 107 Cb -0.12 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2nnr s LEU 107 CO 0.01 -0.38 0.77 -0.75 0.23 0.00 0.00 176.35 176.24 2nnr s LYS 108 N 1.36 3.18 0.01 1.70 2.20 0.13 -0.38 119.74 127.94 2nnr s LYS 108 Ca -0.00 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 54.95 2nnr s LYS 108 Cb -0.20 -4.11 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 2nnr s LYS 108 CO 0.01 -1.39 -0.12 0.00 -0.36 0.00 0.00 175.35 173.48 2nnr s ALA 109 N 3.22 2.79 0.00 3.13 0.00 0.99 -1.29 121.76 130.60 2nnr s ALA 109 Ca 0.21 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2nnr s ALA 109 Cb -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2nnr s ALA 109 CO 0.14 0.59 0.00 0.09 0.00 0.00 0.00 175.76 176.58