#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea s SER 2 N 0.00 -0.49 0.14 1.61 0.01 -1.26 -5.18 113.70 108.54 2eea s SER 2 Ca 0.00 0.91 -0.07 0.00 1.31 0.00 0.00 55.95 58.10 2eea s SER 2 Cb 0.00 0.93 -0.02 0.00 0.21 0.00 0.00 66.02 67.14 2eea s SER 2 CO 0.00 -0.21 0.21 -0.44 0.41 0.00 0.00 173.24 173.21 2eea s SER 3 N 0.08 0.13 0.00 2.44 0.01 -1.26 -5.16 113.70 109.95 2eea s SER 3 Ca -0.01 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2eea s SER 3 Cb -0.03 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2eea s SER 3 CO 0.01 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2eea n GLY 4 N -0.15 3.13 3.32 3.44 0.00 -1.26 -5.17 105.19 108.49 2eea n GLY 4 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2eea n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eea s SER 5 N 0.00 2.95 0.18 1.61 0.15 -1.26 -5.04 113.70 112.29 2eea s SER 5 Ca 0.00 -0.58 -0.13 0.00 0.70 0.00 0.00 55.95 55.94 2eea s SER 5 Cb 0.00 -0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.14 2eea s SER 5 CO 0.00 0.22 1.81 0.77 1.20 0.00 0.00 173.24 177.24 2eea h SER 6 N 4.76 0.72 -5.00 5.45 4.64 -2.10 -3.49 113.55 118.54 2eea h SER 6 Ca -0.45 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2eea h SER 6 Cb 1.15 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2eea h SER 6 CO 0.43 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 2eea n GLY 7 N -1.11 2.81 3.74 -0.77 0.00 -1.26 -5.07 105.19 103.54 2eea n GLY 7 Ca 0.04 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2eea n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eea s PRO 8 N -3.08 1.77 -0.01 1.61 0.04 -1.26 -5.08 135.00 128.99 2eea s PRO 8 Ca 0.00 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 2eea s PRO 8 Cb 0.00 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.77 2eea s PRO 8 CO 0.00 -1.94 0.75 -2.00 0.04 0.00 0.00 177.00 173.85 2eea s GLU 9 N -4.92 1.00 0.03 4.56 2.12 -1.26 -5.18 118.70 115.04 2eea s GLU 9 Ca 0.62 -0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.86 2eea s GLU 9 Cb -0.18 0.47 -0.01 0.00 0.26 0.00 0.00 34.13 34.67 2eea s GLU 9 CO 0.56 -0.37 0.11 -1.12 -0.54 0.00 0.00 175.26 173.90 2eea s SER 10 N -1.78 0.13 1.10 -1.70 0.01 -1.26 -5.17 113.70 105.04 2eea s SER 10 Ca -0.04 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 2eea s SER 10 Cb -0.00 0.22 0.12 0.00 0.21 0.00 0.00 66.02 66.56 2eea s SER 10 CO -0.00 -0.47 0.42 -0.81 0.41 0.00 0.00 173.24 172.79 2eea n PRO 11 N 0.96 -1.85 -3.64 12.44 -0.04 -1.26 -3.95 135.00 137.67 2eea n PRO 11 Ca -0.20 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 2eea n PRO 11 Cb 0.58 -0.63 -0.06 0.00 -0.04 0.00 0.00 33.50 33.34 2eea n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2eea n LEU 12 N 0.00 -0.58 -3.57 1.53 4.32 -1.26 -4.53 117.00 112.91 2eea n LEU 12 Ca 0.06 -0.87 -0.47 0.00 -0.02 0.00 0.00 56.01 54.71 2eea n LEU 12 Cb 0.23 -1.12 -0.10 0.00 -1.62 0.00 0.00 43.42 40.81 2eea n LEU 12 CO 0.16 0.08 1.52 0.00 -1.22 0.00 0.00 177.39 177.93 2eea n GLN 13 N -3.01 0.00 -3.71 3.23 3.00 -1.25 -4.89 117.38 110.76 2eea n GLN 13 Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.90 2eea n GLN 13 Cb 0.32 -1.25 -0.15 0.00 0.00 0.00 0.00 30.24 29.16 2eea n GLN 13 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2eea s PHE 14 N 5.47 -0.14 -0.19 1.08 2.19 -1.26 -5.13 117.98 120.00 2eea s PHE 14 Ca 1.02 0.50 0.01 0.00 0.33 0.00 0.00 56.93 58.79 2eea s PHE 14 Cb -1.21 -0.21 0.02 0.00 -1.31 0.00 0.00 43.02 40.32 2eea s PHE 14 CO 0.52 -0.21 -0.17 -0.47 1.83 0.00 0.00 175.22 176.72 2eea s TYR 15 N 1.76 2.86 -0.08 10.12 5.04 -1.26 -5.11 117.35 130.67 2eea s TYR 15 Ca -0.02 -1.67 -0.02 0.00 -2.44 0.00 0.00 57.07 52.91 2eea s TYR 15 Cb -0.12 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.22 2eea s TYR 15 CO -0.05 -0.80 0.03 0.08 -1.34 0.00 0.00 175.55 173.47 2eea s VAL 16 N 1.28 4.52 0.21 3.14 1.01 -1.26 -5.12 120.40 124.18 2eea s VAL 16 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2eea s VAL 16 Cb -0.14 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2eea s VAL 16 CO -0.11 0.58 0.12 0.21 0.00 0.00 0.00 175.10 175.90 2eea s ASN 17 N -0.99 5.29 0.04 3.32 3.84 -1.26 -5.13 114.94 120.06 2eea s ASN 17 Ca 0.14 -0.27 0.03 0.00 0.21 0.00 0.00 52.86 52.97 2eea s ASN 17 Cb -0.11 -1.29 -0.04 0.00 -0.55 0.00 0.00 41.25 39.26 2eea s ASN 17 CO 0.04 0.03 0.01 -0.31 -2.79 0.00 0.00 177.10 174.07 2eea s TYR 18 N -1.94 3.05 0.23 0.43 2.02 -1.26 -5.02 117.35 114.87 2eea s TYR 18 Ca 0.31 0.04 0.23 0.00 -0.37 0.00 0.00 57.07 57.27 2eea s TYR 18 Cb -0.09 -1.61 0.97 0.00 -0.40 0.00 0.00 41.96 40.84 2eea s TYR 18 CO 0.23 0.47 1.86 -1.00 -1.57 0.00 0.00 175.55 175.54 2eea h PRO 19 N 3.86 0.00 -0.94 -1.71 0.13 -2.00 -3.26 132.00 128.07 2eea h PRO 19 Ca -0.48 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 2eea h PRO 19 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2eea h PRO 19 CO 0.59 0.25 -0.32 -0.91 -0.23 0.00 0.00 178.00 177.38 2eea h ASN 20 N 0.00 -1.19 -3.25 1.44 4.21 -2.01 -3.25 115.58 111.54 2eea h ASN 20 Ca -0.00 0.29 -0.74 0.00 1.21 0.00 0.00 56.30 57.06 2eea h ASN 20 Cb 0.68 0.67 -0.25 0.00 -1.12 0.00 0.00 38.32 38.31 2eea h ASN 20 CO 0.03 -0.30 -0.32 -0.44 -1.29 0.00 0.00 177.43 175.11 2eea s SER 21 N -5.30 6.02 -0.23 5.81 0.01 -1.23 -5.01 113.70 113.77 2eea s SER 21 Ca -0.14 -1.61 -0.03 0.00 1.31 0.00 0.00 55.95 55.48 2eea s SER 21 Cb 0.22 -2.14 0.11 0.00 0.21 0.00 0.00 66.02 64.42 2eea s SER 21 CO 0.74 -0.71 0.27 -0.83 0.41 0.00 0.00 173.24 173.12 2eea s GLY 22 N 2.90 -0.13 0.05 3.44 0.00 -1.23 -4.89 107.32 107.46 2eea s GLY 22 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.12 2eea s GLY 22 CO 0.04 2.36 -0.04 -1.35 0.00 0.00 0.00 173.10 174.10 2eea s SER 23 N 2.39 0.60 -0.11 1.64 1.04 -1.26 -5.12 113.70 112.89 2eea s SER 23 Ca 0.09 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2eea s SER 23 Cb -0.15 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2eea s SER 23 CO -0.16 -0.45 -0.18 -0.69 0.98 0.00 0.00 173.24 172.75 2eea s VAL 24 N -2.94 1.66 0.33 5.02 1.01 -1.26 -4.78 120.40 119.45 2eea s VAL 24 Ca 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2eea s VAL 24 Cb 0.01 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 2eea s VAL 24 CO -0.05 0.47 -0.11 -0.44 0.00 0.00 0.00 175.10 174.97 2eea s SER 25 N 0.82 3.72 -0.01 3.32 0.01 -1.22 -4.47 113.70 115.86 2eea s SER 25 Ca -0.09 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 56.01 2eea s SER 25 Cb -0.16 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.74 2eea s SER 25 CO 0.01 -0.16 -0.02 0.00 0.41 0.00 0.00 173.24 173.48 2eea s ALA 26 N -2.59 0.25 0.16 1.44 0.00 -1.26 -0.88 121.76 118.88 2eea s ALA 26 Ca 0.32 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 2eea s ALA 26 Cb 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2eea s ALA 26 CO 0.16 0.02 0.39 1.52 0.00 0.00 0.00 175.76 177.85 2eea s TYR 27 N 0.29 0.03 0.00 0.00 1.13 -0.89 -5.04 117.35 112.87 2eea s TYR 27 Ca -0.03 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 2eea s TYR 27 Cb -0.05 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 2eea s TYR 27 CO -0.01 -0.76 0.00 0.41 -2.51 0.00 0.00 175.55 172.68 2eea n GLY 28 N -0.24 3.66 0.00 5.49 0.00 -1.26 -1.66 105.19 111.17 2eea n GLY 28 Ca -0.11 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.48 2eea n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 29 N -1.83 0.48 0.01 1.61 -0.04 -1.26 -2.30 135.00 131.66 2eea n PRO 29 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2eea n PRO 29 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2eea n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eea n GLY 30 N -0.03 -1.13 0.03 0.55 0.00 -1.20 -3.56 105.19 99.85 2eea n GLY 30 Ca 0.12 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.82 2eea n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eea n LEU 31 N -2.45 0.06 0.04 0.99 4.77 -0.97 -4.44 117.00 115.00 2eea n LEU 31 Ca -0.06 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2eea n LEU 31 Cb 0.64 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.64 2eea n LEU 31 CO 0.44 0.05 -0.33 0.58 -1.33 0.00 0.00 177.39 176.80 2eea h VAL 32 N 0.00 1.14 -2.59 4.08 2.07 -1.70 -3.35 116.25 115.90 2eea h VAL 32 Ca -0.06 -2.47 0.13 0.00 0.82 0.00 0.00 66.70 65.12 2eea h VAL 32 Cb 1.14 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 2eea h VAL 32 CO 0.00 0.74 0.52 -0.72 0.02 0.00 0.00 177.57 178.13 2eea s TYR 33 N -2.49 0.05 0.09 1.57 -0.85 -1.23 -2.00 117.35 112.48 2eea s TYR 33 Ca -0.17 -0.48 -0.12 0.00 -0.52 0.00 0.00 57.07 55.78 2eea s TYR 33 Cb 0.04 0.72 0.04 0.00 0.38 0.00 0.00 41.96 43.13 2eea s TYR 33 CO 0.81 -1.02 0.56 0.41 -1.52 0.00 0.00 175.55 174.79 2eea n GLY 34 N -0.64 0.90 3.00 5.49 0.00 -1.22 -4.05 105.19 108.66 2eea n GLY 34 Ca -0.04 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2eea n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eea s VAL 35 N -2.29 0.91 0.12 1.61 1.01 -1.26 -2.23 120.40 118.27 2eea s VAL 35 Ca 0.12 -0.38 -0.35 0.00 0.00 0.00 0.00 61.98 61.38 2eea s VAL 35 Cb -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 36.38 35.36 2eea s VAL 35 CO 0.03 0.29 1.13 0.00 0.00 0.00 0.00 175.10 176.55 2eea n ALA 36 N 3.64 -1.64 -3.85 5.51 0.00 0.41 -0.84 120.51 123.73 2eea n ALA 36 Ca -0.22 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 2eea n ALA 36 Cb 0.52 -1.94 0.02 0.00 0.00 0.00 0.00 19.45 18.05 2eea n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eea n ASN 37 N 2.02 -2.80 -4.04 0.00 5.03 -1.13 -4.82 115.26 109.52 2eea n ASN 37 Ca 0.17 -0.83 -0.16 0.00 0.87 0.00 0.00 54.58 54.63 2eea n ASN 37 Cb 0.20 -3.80 -0.13 0.00 -1.02 0.00 0.00 39.78 35.02 2eea n ASN 37 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2eea s LYS 38 N -6.38 0.59 0.09 3.52 2.47 -0.02 -5.01 119.74 115.00 2eea s LYS 38 Ca 0.33 -0.55 -0.31 0.00 -1.56 0.00 0.00 55.97 53.88 2eea s LYS 38 Cb -0.17 -0.50 -0.08 0.00 -1.46 0.00 0.00 37.83 35.62 2eea s LYS 38 CO 0.83 0.12 1.55 0.95 0.16 0.00 0.00 175.35 178.96 2eea s THR 39 N -0.80 3.10 -0.06 3.43 -4.23 -1.26 -4.23 115.64 111.60 2eea s THR 39 Ca -0.03 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2eea s THR 39 Cb -0.07 -3.42 0.04 0.00 1.34 0.00 0.00 72.50 70.39 2eea s THR 39 CO 0.00 0.02 0.11 0.00 -0.54 0.00 0.00 174.62 174.22 2eea s ALA 40 N 1.99 -0.10 0.06 3.99 0.00 -1.02 -4.94 121.76 121.75 2eea s ALA 40 Ca 0.70 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2eea s ALA 40 Cb -0.39 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2eea s ALA 40 CO 0.31 -0.29 -0.05 -0.08 0.00 0.00 0.00 175.76 175.65 2eea s THR 41 N 1.56 0.38 0.14 0.00 -1.32 -1.26 -2.00 115.64 113.14 2eea s THR 41 Ca -0.04 -1.64 -0.01 0.00 -1.21 0.00 0.00 61.69 58.78 2eea s THR 41 Cb -0.12 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2eea s THR 41 CO -0.05 -0.83 0.07 0.72 -2.21 0.00 0.00 174.62 172.32 2eea s PHE 42 N -3.22 0.92 0.20 9.09 -0.12 -1.12 -3.23 117.98 120.51 2eea s PHE 42 Ca 0.03 -1.26 0.08 0.00 -0.05 0.00 0.00 56.93 55.73 2eea s PHE 42 Cb 0.03 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 2eea s PHE 42 CO -0.06 -0.54 0.02 0.99 -0.05 0.00 0.00 175.22 175.58 2eea s THR 43 N -4.07 3.76 -0.04 -4.49 2.01 -0.66 -3.15 115.64 108.98 2eea s THR 43 Ca 0.27 -1.52 0.02 0.00 0.31 0.00 0.00 61.69 60.77 2eea s THR 43 Cb 0.07 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.66 2eea s THR 43 CO 0.04 -0.19 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.05 2eea s ILE 44 N -1.90 0.88 0.01 1.82 1.01 -1.19 -2.09 121.20 119.72 2eea s ILE 44 Ca 0.29 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 2eea s ILE 44 Cb -0.09 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2eea s ILE 44 CO 0.20 0.29 0.73 -0.69 0.00 0.00 0.00 174.94 175.46 2eea s VAL 45 N 0.52 4.85 -0.30 2.92 1.01 -0.06 -2.87 120.40 126.47 2eea s VAL 45 Ca -0.09 1.53 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 2eea s VAL 45 Cb -0.13 -4.07 0.18 0.00 0.00 0.00 0.00 36.38 32.36 2eea s VAL 45 CO 0.02 0.34 1.03 0.28 0.00 0.00 0.00 175.10 176.77 2eea s THR 46 N 0.18 -0.39 -0.05 3.92 -1.32 -1.26 -3.37 115.64 113.35 2eea s THR 46 Ca 0.37 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.84 2eea s THR 46 Cb -0.19 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.82 2eea s THR 46 CO 0.21 0.00 0.02 -1.61 -2.21 0.00 0.00 174.62 171.03 2eea s GLU 47 N 2.69 0.33 -1.51 7.08 0.41 -1.26 -4.67 118.70 121.78 2eea s GLU 47 Ca -0.00 0.18 -0.13 0.00 -0.41 0.00 0.00 54.97 54.61 2eea s GLU 47 Cb -0.08 -0.72 0.07 0.00 -1.78 0.00 0.00 34.13 31.62 2eea s GLU 47 CO -0.14 -0.27 1.00 -0.25 -0.49 0.00 0.00 175.26 175.11 2eea n ASP 48 N 4.97 -4.91 -0.00 -0.19 9.92 -1.26 -4.89 116.55 120.18 2eea n ASP 48 Ca -0.10 -0.75 -0.18 0.00 -0.53 0.00 0.00 54.79 53.23 2eea n ASP 48 Cb 0.50 -4.03 -0.14 0.00 -0.64 0.00 0.00 41.12 36.81 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2eea h ALA 49 N 0.97 -0.03 0.00 2.24 0.00 -1.97 -3.48 119.26 116.98 2eea h ALA 49 Ca -0.58 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2eea h ALA 49 Cb 1.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2eea h ALA 49 CO 0.66 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2eea n GLY 50 N 1.64 3.52 3.57 0.00 0.00 -1.26 -5.01 105.19 107.65 2eea n GLY 50 Ca -0.13 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 2eea n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eea s GLU 51 N -3.52 1.80 0.00 1.61 -6.30 -1.26 -4.66 118.70 106.37 2eea s GLU 51 Ca 0.00 -0.01 0.00 0.00 -2.50 0.00 0.00 54.97 52.46 2eea s GLU 51 Cb 0.00 -4.93 0.00 0.00 0.00 0.00 0.00 34.13 29.20 2eea s GLU 51 CO 0.00 -4.40 0.00 0.41 0.02 0.00 0.00 175.26 171.29 2eea n GLY 52 N 6.61 0.39 3.15 -1.50 0.00 -1.26 -5.13 105.19 107.45 2eea n GLY 52 Ca 0.44 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.51 2eea n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eea s GLY 53 N -0.55 -0.56 -0.10 -0.02 0.00 -1.26 -5.03 107.32 99.80 2eea s GLY 53 Ca 0.00 2.50 -0.21 0.00 0.00 0.00 0.00 44.72 47.01 2eea s GLY 53 CO 0.00 3.87 0.60 -2.27 0.00 0.00 0.00 173.10 175.30 2eea s LEU 54 N 2.95 4.28 -0.07 0.66 2.96 -1.26 -3.17 118.68 125.03 2eea s LEU 54 Ca 0.08 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.02 2eea s LEU 54 Cb -0.08 -2.90 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 2eea s LEU 54 CO -0.15 -0.08 -0.20 -1.81 -1.32 0.00 0.00 176.35 172.79 2eea s ASP 55 N 0.76 2.60 -0.03 3.68 1.01 -1.10 -5.05 116.67 118.54 2eea s ASP 55 Ca 0.32 -0.45 0.05 0.00 0.71 0.00 0.00 52.55 53.17 2eea s ASP 55 Cb -0.16 -0.99 -0.01 0.00 1.01 0.00 0.00 42.92 42.77 2eea s ASP 55 CO 0.14 0.15 -0.17 -0.76 0.21 0.00 0.00 175.17 174.74 2eea s LEU 56 N 0.23 1.96 -0.24 1.23 1.02 -1.26 -2.05 118.68 119.57 2eea s LEU 56 Ca -0.11 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 2eea s LEU 56 Cb -0.15 -0.94 0.09 0.00 0.02 0.00 0.00 46.19 45.20 2eea s LEU 56 CO 0.05 0.18 0.55 0.00 0.02 0.00 0.00 176.35 177.15 2eea s ALA 57 N -0.14 -1.55 -0.00 4.21 0.00 -0.33 -5.04 121.76 118.91 2eea s ALA 57 Ca 0.00 1.97 0.04 0.00 0.00 0.00 0.00 51.96 53.97 2eea s ALA 57 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2eea s ALA 57 CO 0.01 -0.59 -0.12 0.42 0.00 0.00 0.00 175.76 175.48 2eea s ILE 58 N 2.16 3.26 0.33 0.00 1.01 -1.26 -0.20 121.20 126.50 2eea s ILE 58 Ca -0.07 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2eea s ILE 58 Cb -0.09 -2.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 2eea s ILE 58 CO -0.16 0.44 0.04 -1.61 0.00 0.00 0.00 174.94 173.65 2eea s GLU 59 N -1.21 1.68 0.00 2.79 0.41 -0.04 -4.66 118.70 117.67 2eea s GLU 59 Ca 0.15 -1.93 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 2eea s GLU 59 Cb -0.11 -0.99 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 2eea s GLU 59 CO 0.05 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 2eea n GLY 60 N -0.71 -0.50 0.10 -1.39 0.00 -1.26 0.28 105.19 101.70 2eea n GLY 60 Ca -0.03 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.08 2eea n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 61 N 0.00 0.15 -3.73 1.61 -0.04 -1.26 -4.72 135.00 127.01 2eea n PRO 61 Ca 0.00 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2eea n PRO 61 Cb 0.00 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 2eea n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eea s SER 62 N -3.94 -0.41 0.04 3.54 0.15 -1.26 -5.03 113.70 106.79 2eea s SER 62 Ca 0.05 0.78 -0.31 0.00 0.70 0.00 0.00 55.95 57.17 2eea s SER 62 Cb 0.09 0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 65.13 2eea s SER 62 CO 0.36 -0.16 1.46 -0.75 1.20 0.00 0.00 173.24 175.35 2eea s LYS 63 N 0.13 4.27 0.00 5.44 2.36 -1.26 -4.87 119.74 125.81 2eea s LYS 63 Ca -0.01 2.08 0.05 0.00 -2.55 0.00 0.00 55.97 55.54 2eea s LYS 63 Cb -0.03 -3.50 -0.03 0.00 -1.05 0.00 0.00 37.83 33.22 2eea s LYS 63 CO 0.01 -0.58 -0.13 0.00 1.55 0.00 0.00 175.35 176.20 2eea s ALA 64 N 2.14 2.76 0.47 3.13 0.00 -1.26 -4.80 121.76 124.20 2eea s ALA 64 Ca 0.66 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 2eea s ALA 64 Cb -0.35 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.76 2eea s ALA 64 CO 0.29 0.58 0.88 -1.21 0.00 0.00 0.00 175.76 176.30 2eea s GLU 65 N -1.22 3.83 -0.03 0.00 8.01 -1.26 -4.87 118.70 123.15 2eea s GLU 65 Ca 0.15 0.68 0.02 0.00 0.01 0.00 0.00 54.97 55.82 2eea s GLU 65 Cb -0.11 -2.26 0.01 0.00 -4.31 0.00 0.00 34.13 27.46 2eea s GLU 65 CO 0.05 -0.18 -0.05 0.42 0.01 0.00 0.00 175.26 175.50 2eea s ILE 66 N -2.55 0.54 -0.32 -1.63 1.01 -1.26 -4.15 121.20 112.84 2eea s ILE 66 Ca 0.55 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 61.10 2eea s ILE 66 Cb -0.10 -0.52 0.46 0.00 0.01 0.00 0.00 42.46 42.31 2eea s ILE 66 CO 0.33 0.20 1.15 -0.24 0.00 0.00 0.00 174.94 176.38 2eea n SER 67 N 3.59 4.13 -4.04 3.58 2.88 -1.04 -5.07 113.62 117.66 2eea n SER 67 Ca -0.21 -3.40 -0.42 0.00 -1.33 0.00 0.00 58.87 53.51 2eea n SER 67 Cb 0.53 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.58 2eea n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eea s ILE 69 N -1.14 1.48 -0.30 0.00 1.01 0.50 -4.96 121.20 117.79 2eea s ILE 69 Ca 0.58 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2eea s ILE 69 Cb -0.77 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2eea s ILE 69 CO 0.54 0.42 0.19 -0.62 0.00 0.00 0.00 174.94 175.47 2eea s ASP 70 N -0.23 5.91 0.38 3.58 2.15 -1.26 -2.55 116.67 124.65 2eea s ASP 70 Ca 0.02 -0.21 0.08 0.00 0.43 0.00 0.00 52.55 52.87 2eea s ASP 70 Cb -0.09 -2.10 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 2eea s ASP 70 CO 0.01 -0.12 0.27 0.20 -0.17 0.00 0.00 175.17 175.35 2eea s ASN 71 N 1.72 4.91 -0.23 -0.34 0.01 -1.26 -5.02 114.94 114.74 2eea s ASN 71 Ca 0.06 -0.75 0.13 0.00 -0.71 0.00 0.00 52.86 51.60 2eea s ASN 71 Cb -0.16 -0.68 0.46 0.00 0.41 0.00 0.00 41.25 41.27 2eea s ASN 71 CO 0.10 -0.48 1.18 2.29 -1.51 0.00 0.00 177.10 178.68 2eea n LYS 72 N -1.36 2.29 -0.09 -0.60 0.00 -1.26 -4.76 118.16 112.37 2eea n LYS 72 Ca -0.00 -3.56 -0.18 0.00 -0.00 0.00 0.00 58.31 54.58 2eea n LYS 72 Cb 0.62 -1.70 -0.08 0.00 -0.00 0.00 0.00 35.03 33.87 2eea n LYS 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2eea n ASP 73 N -0.65 1.86 0.00 -5.58 2.03 -1.26 -5.03 116.55 107.92 2eea n ASP 73 Ca 0.26 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2eea n ASP 73 Cb 0.89 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2eea n GLY 74 N 2.12 0.13 3.18 0.27 0.00 -1.26 -5.16 105.19 104.47 2eea n GLY 74 Ca -0.36 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2eea n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eea s THR 75 N 0.00 0.34 0.29 2.61 -4.23 -1.26 -4.04 115.64 109.35 2eea s THR 75 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2eea s THR 75 Cb 0.00 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 2eea s THR 75 CO 0.00 -0.54 0.44 0.00 -0.54 0.00 0.00 174.62 173.99 2eea s THR 77 N -2.13 1.26 -0.22 0.00 2.01 -1.06 -3.19 115.64 112.31 2eea s THR 77 Ca 0.37 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2eea s THR 77 Cb -0.09 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2eea s THR 77 CO 0.32 0.10 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 2eea s VAL 78 N 1.56 2.83 -0.05 3.82 1.01 -1.19 -0.37 120.40 128.01 2eea s VAL 78 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2eea s VAL 78 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2eea s VAL 78 CO -0.08 0.36 -0.05 -0.89 0.00 0.00 0.00 175.10 174.45 2eea s THR 79 N 1.37 3.87 0.20 3.92 2.01 -1.26 -2.79 115.64 122.96 2eea s THR 79 Ca 0.03 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 2eea s THR 79 Cb -0.15 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.75 2eea s THR 79 CO -0.06 0.55 0.44 -0.72 -0.69 0.00 0.00 174.62 174.13 2eea s TYR 80 N -0.88 0.16 -0.06 4.92 1.13 -0.85 -2.50 117.35 119.27 2eea s TYR 80 Ca 0.14 -0.52 -0.02 0.00 -1.41 0.00 0.00 57.07 55.26 2eea s TYR 80 Cb -0.11 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2eea s TYR 80 CO 0.03 -0.87 0.04 -1.17 -2.51 0.00 0.00 175.55 171.07 2eea s LEU 81 N -2.94 0.33 0.80 -3.49 2.96 -1.26 -2.43 118.68 112.65 2eea s LEU 81 Ca 0.15 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 2eea s LEU 81 Cb 0.00 -0.26 0.07 0.00 0.50 0.00 0.00 46.19 46.51 2eea s LEU 81 CO 0.01 -0.24 1.09 -2.16 -1.32 0.00 0.00 176.35 173.73 2eea s PRO 82 N 2.09 2.06 -0.06 0.98 0.04 -1.26 -4.41 135.00 134.44 2eea s PRO 82 Ca 0.05 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.23 2eea s PRO 82 Cb -0.12 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2eea s PRO 82 CO -0.04 -1.76 0.01 2.41 0.04 0.00 0.00 177.00 177.65 2eea n THR 83 N -3.59 0.42 -3.84 1.26 -1.04 -1.26 -2.83 114.28 103.40 2eea n THR 83 Ca 0.09 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 2eea n THR 83 Cb 0.53 -0.83 -0.11 0.00 -1.82 0.00 0.00 70.33 68.10 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2eea s LEU 84 N -4.59 1.42 0.19 -4.42 1.43 -1.26 -4.60 118.68 106.85 2eea s LEU 84 Ca -0.04 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 2eea s LEU 84 Cb 0.02 0.64 -0.09 0.00 0.03 0.00 0.00 46.19 46.80 2eea s LEU 84 CO 0.24 -0.20 1.31 -2.16 0.23 0.00 0.00 176.35 175.77 2eea s PRO 85 N -0.55 4.39 0.00 1.29 0.04 -1.26 -4.86 135.00 134.05 2eea s PRO 85 Ca -0.06 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2eea s PRO 85 Cb -0.04 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2eea s PRO 85 CO 0.01 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2eea n GLY 86 N 2.42 2.52 3.62 0.56 0.00 -1.21 -4.98 105.19 108.13 2eea n GLY 86 Ca 0.06 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2eea n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2eea s ASP 87 N 0.00 6.05 -0.22 1.61 2.15 -1.26 -4.14 116.67 120.85 2eea s ASP 87 Ca 0.00 1.91 -0.12 0.00 0.43 0.00 0.00 52.55 54.77 2eea s ASP 87 Cb 0.00 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2eea s ASP 87 CO 0.00 -1.48 0.23 -0.31 -0.17 0.00 0.00 175.17 173.43 2eea s TYR 88 N 6.21 3.35 -0.86 -5.34 2.02 -1.23 -4.54 117.35 116.95 2eea s TYR 88 Ca 0.85 0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 57.71 2eea s TYR 88 Cb -0.31 -2.33 0.10 0.00 -0.40 0.00 0.00 41.96 39.02 2eea s TYR 88 CO 0.34 0.08 1.15 -1.12 -1.57 0.00 0.00 175.55 174.43 2eea s SER 89 N 0.94 6.46 0.04 2.29 0.01 0.14 -3.80 113.70 119.79 2eea s SER 89 Ca 0.11 -1.59 -0.30 0.00 1.31 0.00 0.00 55.95 55.48 2eea s SER 89 Cb -0.14 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2eea s SER 89 CO 0.05 -1.28 1.02 -0.63 0.41 0.00 0.00 173.24 172.81 2eea s ILE 90 N 3.59 4.62 -0.09 1.44 1.01 -1.15 -0.87 121.20 129.76 2eea s ILE 90 Ca 0.32 1.94 0.02 0.00 0.00 0.00 0.00 60.65 62.93 2eea s ILE 90 Cb -0.07 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2eea s ILE 90 CO -0.03 0.18 -0.15 -0.76 0.00 0.00 0.00 174.94 174.18 2eea s LEU 91 N 0.80 1.72 -0.04 2.97 1.43 0.73 -2.67 118.68 123.62 2eea s LEU 91 Ca 0.52 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2eea s LEU 91 Cb -0.23 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.00 2eea s LEU 91 CO 0.29 0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 176.19 2eea s VAL 92 N 0.78 0.42 0.15 -1.59 1.01 -1.26 -1.19 120.40 118.72 2eea s VAL 92 Ca -0.11 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 61.92 2eea s VAL 92 Cb -0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2eea s VAL 92 CO 0.02 0.20 -0.24 -0.54 0.00 0.00 0.00 175.10 174.54 2eea s LYS 93 N 0.96 1.39 -0.14 2.72 1.02 -0.87 -2.87 119.74 121.95 2eea s LYS 93 Ca -0.11 -1.39 -0.02 0.00 0.02 0.00 0.00 55.97 54.47 2eea s LYS 93 Cb -0.14 -1.75 0.05 0.00 -0.52 0.00 0.00 37.83 35.47 2eea s LYS 93 CO -0.00 0.39 0.02 -0.47 -0.92 0.00 0.00 175.35 174.37 2eea s TYR 94 N -1.39 0.90 -1.41 3.18 5.04 0.68 -2.71 117.35 121.63 2eea s TYR 94 Ca 0.15 -0.58 -0.07 0.00 -2.44 0.00 0.00 57.07 54.13 2eea s TYR 94 Cb -0.09 -0.95 0.04 0.00 0.35 0.00 0.00 41.96 41.32 2eea s TYR 94 CO 0.07 -0.50 0.88 0.09 -1.34 0.00 0.00 175.55 174.75 2eea n ASN 95 N 5.09 -3.28 -1.87 4.32 5.03 -1.19 -1.10 115.26 122.25 2eea n ASN 95 Ca -0.08 -0.77 -0.14 0.00 0.87 0.00 0.00 54.58 54.45 2eea n ASN 95 Cb 0.48 -4.09 0.01 0.00 -1.02 0.00 0.00 39.78 35.17 2eea n ASN 95 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2eea n ASP 96 N -2.95 -4.46 -3.50 6.41 -0.08 -1.26 -5.00 116.55 105.71 2eea n ASP 96 Ca -0.12 -0.12 -0.11 0.00 -1.51 0.00 0.00 54.79 52.93 2eea n ASP 96 Cb 0.60 -3.45 -0.10 0.00 2.34 0.00 0.00 41.12 40.51 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2eea s LYS 97 N -5.05 0.28 0.74 -0.67 1.02 -0.26 -5.15 119.74 110.65 2eea s LYS 97 Ca 0.12 0.62 -0.16 0.00 0.02 0.00 0.00 55.97 56.58 2eea s LYS 97 Cb -0.05 -0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 2eea s LYS 97 CO 0.15 -0.49 0.73 0.72 -0.92 0.00 0.00 175.35 175.53 2eea n HIS 98 N 5.36 -0.15 -2.92 3.18 8.25 -1.26 -0.23 115.22 127.45 2eea n HIS 98 Ca -0.05 0.36 -0.32 0.00 -0.26 0.00 0.00 57.72 57.45 2eea n HIS 98 Cb 0.50 -1.98 -0.06 0.00 1.12 0.00 0.00 29.99 29.57 2eea n HIS 98 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2eea s ILE 99 N -1.92 4.60 -0.56 1.59 -4.36 -1.14 -4.75 121.20 114.66 2eea s ILE 99 Ca 0.68 1.08 -0.27 0.00 -0.26 0.00 0.00 60.65 61.89 2eea s ILE 99 Cb -0.34 -3.64 -0.02 0.00 1.25 0.00 0.00 42.46 39.72 2eea s ILE 99 CO 0.55 -0.33 1.83 -2.16 0.24 0.00 0.00 174.94 175.07 2eea s PRO 100 N -3.30 2.77 0.00 0.37 0.04 -1.26 -2.58 135.00 131.04 2eea s PRO 100 Ca 0.56 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2eea s PRO 100 Cb -0.10 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2eea s PRO 100 CO 0.20 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 175.09 2eea n GLY 101 N 5.63 1.25 3.92 0.56 0.00 -1.26 -4.98 105.19 110.32 2eea n GLY 101 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2eea n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea s SER 102 N -0.54 6.15 0.76 1.61 0.01 -1.07 -4.36 113.70 116.27 2eea s SER 102 Ca 0.00 0.74 -0.11 0.00 1.31 0.00 0.00 55.95 57.89 2eea s SER 102 Cb 0.00 -2.07 0.05 0.00 0.21 0.00 0.00 66.02 64.21 2eea s SER 102 CO 0.00 -0.58 1.09 -2.16 0.41 0.00 0.00 173.24 172.00 2eea s PRO 103 N -4.66 2.30 0.10 12.44 0.04 -1.26 -4.95 135.00 139.01 2eea s PRO 103 Ca 0.47 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2eea s PRO 103 Cb -0.10 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2eea s PRO 103 CO 0.42 -1.61 0.13 -0.06 0.04 0.00 0.00 177.00 175.93 2eea s PHE 104 N -2.85 3.27 -0.17 0.56 0.08 -1.09 -4.99 117.98 112.80 2eea s PHE 104 Ca 0.62 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2eea s PHE 104 Cb -0.17 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2eea s PHE 104 CO 0.55 0.53 -0.19 0.99 -0.10 0.00 0.00 175.22 177.00 2eea s THR 105 N -1.51 2.21 -0.02 0.64 2.01 -1.26 -2.93 115.64 114.77 2eea s THR 105 Ca 0.31 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.45 2eea s THR 105 Cb -0.12 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2eea s THR 105 CO 0.24 0.53 -0.15 0.00 -0.69 0.00 0.00 174.62 174.55 2eea s ALA 106 N 1.10 2.65 -0.54 7.40 0.00 -1.25 -4.79 121.76 126.33 2eea s ALA 106 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 2eea s ALA 106 Cb -0.14 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.20 2eea s ALA 106 CO -0.07 0.56 0.46 0.15 0.00 0.00 0.00 175.76 176.86 2eea s LYS 107 N -0.93 2.83 -0.03 0.00 -0.14 -0.85 -3.56 119.74 117.06 2eea s LYS 107 Ca 0.13 -1.80 -0.03 0.00 -1.36 0.00 0.00 55.97 52.90 2eea s LYS 107 Cb -0.11 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.84 2eea s LYS 107 CO 0.02 -1.28 0.16 0.42 -0.76 0.00 0.00 175.35 173.92 2eea s ILE 108 N 1.38 5.37 0.29 2.17 1.01 -1.26 -3.40 121.20 126.77 2eea s ILE 108 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2eea s ILE 108 Cb -0.27 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2eea s ILE 108 CO 0.01 0.39 0.05 1.07 0.00 0.00 0.00 174.94 176.46 2eea n THR 109 N 1.20 0.00 -4.38 2.92 5.66 -0.95 -3.29 114.28 115.45 2eea n THR 109 Ca -0.13 -1.54 -0.24 0.00 -3.05 0.00 0.00 64.05 59.08 2eea n THR 109 Cb 0.53 0.44 -0.17 0.00 -1.55 0.00 0.00 70.33 69.59 2eea n THR 109 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eea s ASP 110 N -2.70 1.74 -0.45 1.09 -1.08 -1.26 -0.45 116.67 113.56 2eea s ASP 110 Ca 0.07 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 51.86 2eea s ASP 110 Cb 0.00 -0.77 0.13 0.00 -1.46 0.00 0.00 42.92 40.82 2eea s ASP 110 CO 0.05 -0.01 0.22 -0.62 0.52 0.00 0.00 175.17 175.33 2eea s ASP 111 N 0.93 3.98 -0.11 -0.34 -1.08 -1.26 -4.93 116.67 113.85 2eea s ASP 111 Ca -0.10 -2.65 -0.11 0.00 -0.52 0.00 0.00 52.55 49.17 2eea s ASP 111 Cb -0.15 -1.27 -0.05 0.00 -1.46 0.00 0.00 42.92 39.99 2eea s ASP 111 CO 0.01 -0.27 -0.23 -0.24 0.52 0.00 0.00 175.17 174.95 2eea n SER 112 N 3.54 1.54 -4.70 -0.34 2.88 -1.26 -4.99 113.62 110.29 2eea n SER 112 Ca 0.06 0.25 -0.44 0.00 -1.33 0.00 0.00 58.87 57.42 2eea n SER 112 Cb 0.35 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 2eea n SER 112 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2eea n ARG 113 N -4.03 2.41 -2.66 -1.46 0.63 -1.26 -4.90 116.66 105.39 2eea n ARG 113 Ca -0.17 0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 57.21 2eea n ARG 113 Cb 0.46 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.72 2eea n ARG 113 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2eea s ARG 114 N 0.18 3.41 0.00 -0.14 3.52 -1.26 -5.25 118.95 119.41 2eea s ARG 114 Ca 0.71 -0.94 0.18 0.00 -0.13 0.00 0.00 55.73 55.55 2eea s ARG 114 Cb -0.58 -4.81 1.09 0.00 -1.56 0.00 0.00 34.95 29.10 2eea s ARG 114 CO 0.43 -2.07 1.49 0.00 -0.81 0.00 0.00 175.30 174.34