#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avg s ASP 2 N 0.00 3.56 -1.11 -2.24 1.01 -1.26 -4.96 116.67 111.67 2avg s ASP 2 Ca 0.00 -1.48 -0.24 0.00 0.71 0.00 0.00 52.55 51.54 2avg s ASP 2 Cb 0.00 0.02 -0.11 0.00 1.01 0.00 0.00 42.92 43.83 2avg s ASP 2 CO 0.00 -0.64 2.00 -2.84 0.21 0.00 0.00 175.17 173.89 2avg s PRO 3 N -3.79 2.18 -0.01 8.23 0.02 -1.26 -4.52 135.00 135.85 2avg s PRO 3 Ca 0.26 -0.83 -0.01 0.00 0.02 0.00 0.00 61.00 60.44 2avg s PRO 3 Cb 0.07 -5.15 -0.00 0.00 0.02 0.00 0.00 34.50 29.44 2avg s PRO 3 CO 0.13 -4.26 -0.02 -0.89 -0.33 0.00 0.00 177.00 171.63 2avg n ILE 4 N 8.12 0.12 -0.59 2.83 -0.00 -1.26 -5.01 119.36 123.57 2avg n ILE 4 Ca 0.44 0.29 0.00 0.00 -0.00 0.00 0.00 62.75 63.48 2avg n ILE 4 Cb 0.47 -1.36 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 2avg n ILE 4 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2avg n GLY 5 N 2.31 0.71 0.23 7.39 0.00 -1.26 -4.99 105.19 109.58 2avg n GLY 5 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2avg n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2avg h LEU 6 N 0.00 0.14 -7.83 0.99 5.85 -1.94 -3.27 115.31 109.25 2avg h LEU 6 Ca 0.00 0.09 -0.72 0.00 0.84 0.00 0.00 57.88 58.09 2avg h LEU 6 Cb 0.26 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.21 2avg h LEU 6 CO 0.00 0.08 1.15 0.12 -0.34 0.00 0.00 178.44 179.46 2avg s PHE 7 N -6.10 3.33 -0.03 1.25 5.36 -1.26 -0.92 117.98 119.61 2avg s PHE 7 Ca -0.13 -1.81 -0.25 0.00 -0.96 0.00 0.00 56.93 53.78 2avg s PHE 7 Cb 0.17 -4.31 -0.20 0.00 -0.34 0.00 0.00 43.02 38.34 2avg s PHE 7 CO 0.74 -1.44 1.17 0.28 -1.46 0.00 0.00 175.22 174.51 2avg h VAL 8 N 5.17 1.46 -3.73 3.12 2.07 -1.42 -3.45 116.25 119.49 2avg h VAL 8 Ca 0.25 -1.52 -0.42 0.00 0.82 0.00 0.00 66.70 65.83 2avg h VAL 8 Cb 0.94 2.39 -0.31 0.00 -1.52 0.00 0.00 31.29 32.78 2avg h VAL 8 CO 1.19 0.41 -0.78 -0.04 0.02 0.00 0.00 177.57 178.37 2avg s MET 9 N -3.76 0.92 -0.24 1.57 -1.94 -0.82 -4.96 119.30 110.06 2avg s MET 9 Ca -0.16 -0.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 2avg s MET 9 Cb 0.02 -0.86 -0.05 0.00 2.01 0.00 0.00 34.83 35.94 2avg s MET 9 CO 0.71 0.07 0.20 1.03 -0.01 0.00 0.00 175.02 177.01 2avg s ARG 10 N 0.34 4.06 0.53 2.03 0.52 -1.26 -2.75 118.95 122.42 2avg s ARG 10 Ca -0.05 -0.22 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 2avg s ARG 10 Cb -0.10 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 2avg s ARG 10 CO 0.01 0.01 1.37 -1.25 0.02 0.00 0.00 175.30 175.45 2avg s PRO 11 N 1.21 3.23 0.40 3.54 0.04 -1.21 -4.94 135.00 137.27 2avg s PRO 11 Ca 0.09 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.45 2avg s PRO 11 Cb -0.14 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 2avg s PRO 11 CO 0.06 -1.13 0.02 -0.65 0.04 0.00 0.00 177.00 175.34 2avg s GLN 12 N -2.84 1.93 0.00 4.56 -1.52 -1.26 -4.54 119.66 115.99 2avg s GLN 12 Ca 0.70 -2.10 0.00 0.00 -1.95 0.00 0.00 55.36 52.00 2avg s GLN 12 Cb -0.41 -1.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.89 2avg s GLN 12 CO 0.49 -0.10 0.00 -0.25 -0.25 0.00 0.00 175.29 175.18 2avg n ASP 13 N -0.95 0.00 0.00 5.90 8.00 -1.26 -4.66 116.55 123.58 2avg n ASP 13 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2avg n GLY 14 N 2.30 4.43 3.11 0.44 0.00 0.12 -4.83 105.19 110.76 2avg n GLY 14 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2avg n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2avg s GLU 15 N -2.91 2.31 0.25 1.61 2.02 -1.26 0.30 118.70 121.02 2avg s GLU 15 Ca 0.00 -1.32 0.07 0.00 0.02 0.00 0.00 54.97 53.74 2avg s GLU 15 Cb 0.00 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 2avg s GLU 15 CO 0.00 -0.60 -0.08 0.14 0.02 0.00 0.00 175.26 174.74 2avg s VAL 16 N 1.16 1.62 0.25 2.63 -7.23 -0.38 -4.94 120.40 113.51 2avg s VAL 16 Ca -0.07 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 57.92 2avg s VAL 16 Cb -0.20 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2avg s VAL 16 CO -0.03 -0.41 0.48 -0.89 -0.31 0.00 0.00 175.10 173.94 2avg s THR 17 N -3.04 5.11 -0.34 5.32 2.01 -1.26 0.18 115.64 123.61 2avg s THR 17 Ca 0.27 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2avg s THR 17 Cb 0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2avg s THR 17 CO 0.10 -0.26 2.08 -0.69 -0.69 0.00 0.00 174.62 175.16 2avg s VAL 18 N -1.99 3.20 0.00 3.82 1.01 -0.37 -1.42 120.40 124.65 2avg s VAL 18 Ca 0.41 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2avg s VAL 18 Cb -0.11 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2avg s VAL 18 CO 0.30 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2avg n GLY 19 N 5.69 0.99 0.00 4.51 0.00 -1.25 -4.95 105.19 110.18 2avg n GLY 19 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2avg n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 20 N 0.00 3.99 3.56 -0.02 0.00 -0.50 -4.64 105.19 107.57 2avg n GLY 20 Ca 0.00 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 2avg n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2avg s SER 21 N -0.43 3.36 0.02 1.61 1.04 -1.26 0.59 113.70 118.63 2avg s SER 21 Ca 0.00 -1.37 -0.08 0.00 0.48 0.00 0.00 55.95 54.99 2avg s SER 21 Cb 0.00 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2avg s SER 21 CO 0.00 -0.50 0.15 -0.51 0.98 0.00 0.00 173.24 173.36 2avg s ILE 22 N -2.91 0.10 -0.03 -1.02 1.10 0.27 -4.85 121.20 113.87 2avg s ILE 22 Ca 0.35 -0.80 -0.00 0.00 -0.51 0.00 0.00 60.65 59.69 2avg s ILE 22 Cb 0.09 -0.62 0.03 0.00 0.15 0.00 0.00 42.46 42.11 2avg s ILE 22 CO 0.17 -0.44 0.03 -0.89 -2.11 0.00 0.00 174.94 171.70 2avg s THR 23 N -1.85 -0.04 0.02 4.00 2.01 -1.26 -1.69 115.64 116.83 2avg s THR 23 Ca -0.11 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.21 2avg s THR 23 Cb -0.05 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 2avg s THR 23 CO -0.00 0.12 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.47 2avg s PHE 24 N 1.34 1.93 -0.07 4.92 0.08 -1.14 -4.88 117.98 120.17 2avg s PHE 24 Ca -0.06 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2avg s PHE 24 Cb -0.13 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2avg s PHE 24 CO -0.03 0.04 0.01 -1.54 -0.10 0.00 0.00 175.22 173.60 2avg s SER 25 N -0.87 1.52 -0.24 1.36 1.04 -1.26 0.74 113.70 116.00 2avg s SER 25 Ca 0.08 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2avg s SER 25 Cb -0.09 -0.41 0.04 0.00 0.10 0.00 0.00 66.02 65.66 2avg s SER 25 CO 0.01 -0.20 -0.10 0.00 0.98 0.00 0.00 173.24 173.93 2avg s ALA 26 N 1.98 2.59 -0.23 5.32 0.00 0.10 -3.35 121.76 128.17 2avg s ALA 26 Ca 0.05 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 2avg s ALA 26 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2avg s ALA 26 CO -0.05 -0.85 0.05 1.03 0.00 0.00 0.00 175.76 175.94 2avg s ARG 27 N 1.25 3.66 -0.14 0.00 0.52 -1.11 -0.59 118.95 122.54 2avg s ARG 27 Ca -0.02 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 2avg s ARG 27 Cb -0.17 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.06 2avg s ARG 27 CO -0.06 -0.11 -0.21 0.08 0.02 0.00 0.00 175.30 175.02 2avg s VAL 28 N 1.38 2.19 -0.29 3.52 1.01 -0.44 -1.85 120.40 125.92 2avg s VAL 28 Ca 0.05 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2avg s VAL 28 Cb -0.15 -1.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 2avg s VAL 28 CO 0.03 0.54 2.26 0.00 0.00 0.00 0.00 175.10 177.93 2avg n ALA 29 N 4.01 1.50 -0.25 5.51 0.00 -0.10 -0.24 120.51 130.95 2avg n ALA 29 Ca -0.20 -0.33 0.03 0.00 0.00 0.00 0.00 53.44 52.95 2avg n ALA 29 Cb 0.52 -2.89 0.16 0.00 0.00 0.00 0.00 19.45 17.23 2avg n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2avg h GLY 30 N 15.29 1.08 0.00 0.00 0.00 -0.58 -3.44 103.07 115.42 2avg h GLY 30 Ca -0.36 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2avg h GLY 30 CO 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 177.53 2avg n ALA 31 N -2.46 0.00 -0.16 3.60 0.00 -1.25 -4.54 120.51 115.70 2avg n ALA 31 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2avg n ALA 31 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2avg n ALA 31 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2avg n SER 32 N -3.30 0.00 -0.78 0.00 3.41 -1.26 -5.08 113.62 106.62 2avg n SER 32 Ca 0.00 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 2avg n SER 32 Cb 0.00 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 2avg n SER 32 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2avg n LEU 33 N -1.76 -0.57 0.00 1.04 -0.00 -1.26 -4.88 117.00 109.56 2avg n LEU 33 Ca 0.00 1.32 0.00 0.00 -0.00 0.00 0.00 56.01 57.33 2avg n LEU 33 Cb 0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 43.42 41.79 2avg n LEU 33 CO 0.00 -1.13 0.10 -0.11 -0.00 0.00 0.00 177.39 176.25 2avg n LEU 34 N -3.23 0.37 -4.14 -1.96 7.94 -1.26 -4.93 117.00 109.79 2avg n LEU 34 Ca -0.05 0.53 -0.29 0.00 -1.11 0.00 0.00 56.01 55.09 2avg n LEU 34 Cb 0.37 -0.42 -0.17 0.00 0.53 0.00 0.00 43.42 43.73 2avg n LEU 34 CO 0.02 -0.42 -0.52 -1.59 -1.11 0.00 0.00 177.39 173.76 2avg s LYS 35 N -1.25 2.54 -0.03 1.96 0.00 -1.26 -5.05 119.74 116.64 2avg s LYS 35 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 55.97 55.01 2avg s LYS 35 Cb 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 37.83 35.73 2avg s LYS 35 CO 0.00 0.11 0.72 -2.30 0.00 0.00 0.00 175.35 173.88 2avg n PRO 36 N 3.68 0.00 -1.56 1.78 -0.02 -1.26 -4.47 135.00 133.15 2avg n PRO 36 Ca -0.20 0.00 -0.51 0.00 -2.02 0.00 0.00 63.50 60.77 2avg n PRO 36 Cb 0.52 -0.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.98 2avg n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2avg n PRO 37 N 1.11 0.96 -3.33 0.52 -0.04 -1.26 -4.88 135.00 128.07 2avg n PRO 37 Ca 0.14 0.34 -0.44 0.00 -0.04 0.00 0.00 63.50 63.49 2avg n PRO 37 Cb 0.04 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2avg s VAL 38 N 0.02 5.15 -0.29 0.52 1.01 -0.07 -4.93 120.40 121.82 2avg s VAL 38 Ca 0.79 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2avg s VAL 38 Cb -0.94 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.26 2avg s VAL 38 CO 0.51 -0.67 0.06 -0.69 0.00 0.00 0.00 175.10 174.31 2avg s VAL 39 N 1.87 3.82 -0.18 2.92 1.01 -1.26 0.55 120.40 129.13 2avg s VAL 39 Ca 0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2avg s VAL 39 Cb -0.24 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2avg s VAL 39 CO 0.07 0.10 0.04 -1.59 0.00 0.00 0.00 175.10 173.73 2avg s LYS 40 N 1.48 3.87 0.42 2.72 0.00 -0.76 -4.97 119.74 122.51 2avg s LYS 40 Ca 0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 55.97 55.44 2avg s LYS 40 Cb -0.17 -3.16 -0.08 0.00 0.00 0.00 0.00 37.83 34.42 2avg s LYS 40 CO 0.01 0.21 0.86 -1.58 0.00 0.00 0.00 175.35 174.86 2avg s TRP 41 N 0.51 3.40 -0.02 1.78 0.52 -1.26 -1.08 118.94 122.79 2avg s TRP 41 Ca 0.02 1.34 0.05 0.00 0.02 0.00 0.00 56.10 57.52 2avg s TRP 41 Cb -0.13 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.52 2avg s TRP 41 CO 0.01 -0.13 -0.15 0.12 0.02 0.00 0.00 176.95 176.82 2avg s PHE 42 N -2.31 1.41 0.45 -1.98 2.19 0.25 -4.03 117.98 113.97 2avg s PHE 42 Ca 0.57 -0.30 0.08 0.00 0.33 0.00 0.00 56.93 57.61 2avg s PHE 42 Cb -0.10 -0.92 0.02 0.00 -1.31 0.00 0.00 43.02 40.71 2avg s PHE 42 CO 0.24 -0.05 0.60 0.21 1.83 0.00 0.00 175.22 178.04 2avg s LYS 43 N -0.25 2.72 0.00 10.12 2.20 0.22 -0.42 119.74 134.33 2avg s LYS 43 Ca 0.04 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2avg s LYS 43 Cb -0.07 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2avg s LYS 43 CO -0.00 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2avg n GLY 44 N -1.90 0.00 0.00 5.54 0.00 -1.24 -3.70 105.19 103.88 2avg n GLY 44 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2avg n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avg n LYS 45 N 0.00 0.00 0.00 1.61 5.02 0.12 -3.23 118.16 121.68 2avg n LYS 45 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2avg n LYS 45 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2avg n TRP 46 N -0.68 0.00 -2.72 2.13 4.27 -1.26 -4.95 117.44 114.22 2avg n TRP 46 Ca 0.00 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.38 2avg n TRP 46 Cb 0.11 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.09 2avg n TRP 46 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2avg s VAL 47 N 0.00 3.29 0.18 -1.67 1.01 -1.20 -4.91 120.40 117.10 2avg s VAL 47 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2avg s VAL 47 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2avg s VAL 47 CO 0.00 -0.19 -0.08 -0.62 0.00 0.00 0.00 175.10 174.21 2avg s ASP 48 N -4.33 4.32 -0.09 3.32 -1.08 -1.26 0.71 116.67 118.26 2avg s ASP 48 Ca 0.53 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 2avg s ASP 48 Cb -0.10 -0.76 -0.25 0.00 -1.46 0.00 0.00 42.92 40.35 2avg s ASP 48 CO 0.39 0.10 0.47 0.18 0.52 0.00 0.00 175.17 176.83 2avg n LEU 49 N 0.05 1.99 0.33 -1.34 4.32 -1.26 -4.10 117.00 116.99 2avg n LEU 49 Ca -0.11 0.28 0.21 0.00 -0.02 0.00 0.00 56.01 56.37 2avg n LEU 49 Cb 0.55 -0.65 1.13 0.00 -1.62 0.00 0.00 43.42 42.84 2avg n LEU 49 CO 0.35 0.69 1.17 -1.28 -1.22 0.00 0.00 177.39 177.11 2avg h SER 50 N 0.05 0.00 0.06 -1.43 0.87 -1.97 0.45 113.55 111.58 2avg h SER 50 Ca -0.38 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.88 2avg h SER 50 Cb 2.03 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.93 2avg h SER 50 CO 0.08 0.00 -2.25 -1.20 -0.53 0.00 0.00 176.83 172.94 2avg n SER 51 N -3.16 0.10 -0.13 6.23 7.64 -1.26 -4.69 113.62 118.35 2avg n SER 51 Ca -0.03 0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.72 2avg n SER 51 Cb 0.12 1.03 -0.12 0.00 -1.01 0.00 0.00 64.21 64.23 2avg n SER 51 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2avg n LYS 52 N -2.71 0.64 0.00 1.43 4.76 0.13 -4.95 118.16 117.46 2avg n LYS 52 Ca -0.27 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2avg n LYS 52 Cb 1.06 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2avg n VAL 53 N -3.28 0.00 -1.07 -0.18 0.31 0.58 -4.75 118.33 109.93 2avg n VAL 53 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2avg n VAL 53 Cb 0.98 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 2avg n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2avg n GLY 54 N 0.00 4.19 0.20 2.92 0.00 0.40 -4.86 105.19 108.05 2avg n GLY 54 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2avg n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2avg h GLN 55 N 0.00 0.00 0.00 1.61 5.75 -1.95 -2.16 115.11 118.36 2avg h GLN 55 Ca 0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 2avg h GLN 55 Cb 0.00 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 2avg h GLN 55 CO 0.00 0.00 -2.27 -2.39 -2.65 0.00 0.00 178.83 171.52 2avg n HIS 56 N -2.50 0.00 -3.82 3.99 1.44 -1.26 -4.75 115.22 108.31 2avg n HIS 56 Ca -0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 2avg n HIS 56 Cb 0.13 -0.88 -0.15 0.00 0.12 0.00 0.00 29.99 29.21 2avg n HIS 56 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2avg s LEU 57 N -5.96 2.54 -0.33 2.39 2.96 -0.93 -0.00 118.68 119.35 2avg s LEU 57 Ca -0.23 -1.51 -0.16 0.00 -0.22 0.00 0.00 54.13 52.02 2avg s LEU 57 Cb 0.07 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 2avg s LEU 57 CO 0.60 -0.36 0.39 -1.10 -1.32 0.00 0.00 176.35 174.56 2avg s GLN 58 N 1.50 3.65 -0.74 1.98 1.11 0.10 0.15 119.66 127.42 2avg s GLN 58 Ca 0.05 -0.29 -0.16 0.00 0.01 0.00 0.00 55.36 54.98 2avg s GLN 58 Cb -0.18 -3.78 0.17 0.00 -1.01 0.00 0.00 33.01 28.22 2avg s GLN 58 CO -0.16 -0.50 0.72 -1.17 0.01 0.00 0.00 175.29 174.19 2avg s LEU 59 N 2.10 6.29 0.52 2.90 0.20 -1.26 0.78 118.68 130.21 2avg s LEU 59 Ca 0.14 -2.25 -0.08 0.00 0.69 0.00 0.00 54.13 52.63 2avg s LEU 59 Cb -0.16 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 2avg s LEU 59 CO 0.12 -0.76 0.86 -1.00 -0.29 0.00 0.00 176.35 175.28 2avg s HIS 60 N 1.07 3.57 -0.12 5.38 3.76 0.91 -4.89 115.29 124.98 2avg s HIS 60 Ca 0.15 0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 56.04 2avg s HIS 60 Cb -0.16 -2.45 0.03 0.00 1.11 0.00 0.00 32.58 31.11 2avg s HIS 60 CO -0.04 -0.39 -0.03 0.16 -0.85 0.00 0.00 174.74 173.59 2avg s ASP 61 N -4.02 2.15 -0.01 1.40 1.47 -1.26 -0.72 116.67 115.68 2avg s ASP 61 Ca 0.50 -0.34 -0.01 0.00 1.18 0.00 0.00 52.55 53.88 2avg s ASP 61 Cb -0.10 -0.67 -0.04 0.00 -0.34 0.00 0.00 42.92 41.77 2avg s ASP 61 CO 0.46 -0.18 0.10 -0.44 0.68 0.00 0.00 175.17 175.79 2avg s SER 62 N 1.82 5.82 -0.31 2.11 0.01 0.26 -4.95 113.70 118.46 2avg s SER 62 Ca 0.04 0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 2avg s SER 62 Cb -0.13 -1.71 0.11 0.00 0.21 0.00 0.00 66.02 64.50 2avg s SER 62 CO -0.07 0.27 0.15 -0.47 0.41 0.00 0.00 173.24 173.54 2avg s TYR 63 N -1.21 0.54 -0.35 2.43 5.04 -1.26 -1.35 117.35 121.18 2avg s TYR 63 Ca 0.23 -1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 53.68 2avg s TYR 63 Cb -0.12 -0.97 0.08 0.00 0.35 0.00 0.00 41.96 41.30 2avg s TYR 63 CO 0.15 -0.83 0.09 -0.51 -1.34 0.00 0.00 175.55 173.11 2avg s ASP 64 N 1.75 5.06 0.10 4.32 1.01 -0.72 -4.95 116.67 123.24 2avg s ASP 64 Ca 0.12 -1.63 -0.07 0.00 0.71 0.00 0.00 52.55 51.67 2avg s ASP 64 Cb -0.18 -1.77 -0.18 0.00 1.01 0.00 0.00 42.92 41.80 2avg s ASP 64 CO -0.25 -0.39 1.22 -0.09 0.21 0.00 0.00 175.17 175.87 2avg h ARG 65 N 8.01 0.44 0.00 8.23 1.12 -1.95 0.55 114.38 130.78 2avg h ARG 65 Ca -0.17 -0.54 0.00 0.00 -1.11 0.00 0.00 59.98 58.16 2avg h ARG 65 Cb 1.05 0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 2avg h ARG 65 CO 0.60 1.20 0.00 0.00 -3.11 0.00 0.00 179.97 178.66 2avg n ALA 66 N -2.57 1.84 0.01 2.80 0.00 -1.26 -1.00 120.51 120.32 2avg n ALA 66 Ca -0.09 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.46 2avg n ALA 66 Cb 0.91 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 2avg n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2avg n SER 67 N -1.96 0.74 -2.52 0.00 2.88 -1.15 -4.99 113.62 106.62 2avg n SER 67 Ca 0.04 -0.02 -0.18 0.00 -1.33 0.00 0.00 58.87 57.38 2avg n SER 67 Cb 0.26 1.84 0.03 0.00 -0.75 0.00 0.00 64.21 65.59 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2avg n LYS 68 N -2.13 -4.15 -4.25 -1.46 3.00 0.17 -4.95 118.16 104.39 2avg n LYS 68 Ca -0.03 0.74 -0.19 0.00 -0.00 0.00 0.00 58.31 58.83 2avg n LYS 68 Cb 0.48 -5.25 -0.15 0.00 0.00 0.00 0.00 35.03 30.11 2avg n LYS 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2avg s VAL 69 N -3.07 0.58 -0.38 3.15 1.01 -0.17 0.18 120.40 121.70 2avg s VAL 69 Ca 0.26 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2avg s VAL 69 Cb -0.11 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2avg s VAL 69 CO 0.32 0.19 0.23 -0.31 0.00 0.00 0.00 175.10 175.54 2avg s TYR 70 N 0.27 3.24 -0.48 5.22 2.02 0.67 -1.75 117.35 126.54 2avg s TYR 70 Ca -0.03 -0.74 -0.18 0.00 -0.37 0.00 0.00 57.07 55.74 2avg s TYR 70 Cb -0.08 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.05 2avg s TYR 70 CO 0.00 -0.59 0.55 -1.17 -1.57 0.00 0.00 175.55 172.77 2avg s LEU 71 N 1.61 5.02 -0.41 -1.29 2.96 -0.46 -1.33 118.68 124.80 2avg s LEU 71 Ca 0.04 -0.90 -0.22 0.00 -0.22 0.00 0.00 54.13 52.83 2avg s LEU 71 Cb -0.19 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2avg s LEU 71 CO 0.08 -0.78 0.73 -0.36 -1.32 0.00 0.00 176.35 174.70 2avg s PHE 72 N 2.38 3.07 -0.13 5.38 0.08 0.24 0.93 117.98 129.92 2avg s PHE 72 Ca 0.13 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.48 2avg s PHE 72 Cb -0.19 -3.43 0.01 0.00 -0.57 0.00 0.00 43.02 38.84 2avg s PHE 72 CO 0.12 -0.82 -0.22 -1.83 -0.10 0.00 0.00 175.22 172.37 2avg s GLU 73 N 3.04 2.96 -0.01 0.44 4.04 0.10 0.01 118.70 129.28 2avg s GLU 73 Ca 0.28 -0.83 -0.18 0.00 0.04 0.00 0.00 54.97 54.28 2avg s GLU 73 Cb -0.13 -2.38 -0.05 0.00 0.02 0.00 0.00 34.13 31.59 2avg s GLU 73 CO 0.19 0.00 0.51 -0.51 -1.84 0.00 0.00 175.26 173.61 2avg s LEU 74 N 0.78 4.43 -0.40 1.83 1.43 0.23 -0.06 118.68 126.91 2avg s LEU 74 Ca -0.08 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2avg s LEU 74 Cb -0.16 -2.76 0.11 0.00 0.03 0.00 0.00 46.19 43.41 2avg s LEU 74 CO -0.01 0.18 0.15 -1.00 0.23 0.00 0.00 176.35 175.90 2avg s HIS 75 N -0.47 3.62 -0.33 0.29 3.76 0.23 -2.86 115.29 119.53 2avg s HIS 75 Ca 0.27 -2.86 0.04 0.00 -0.15 0.00 0.00 55.06 52.36 2avg s HIS 75 Cb -0.17 -3.01 0.09 0.00 1.11 0.00 0.00 32.58 30.60 2avg s HIS 75 CO 0.15 -0.92 0.03 0.42 -0.85 0.00 0.00 174.74 173.56 2avg s ILE 76 N 0.73 2.23 0.06 0.60 1.01 -0.68 0.01 121.20 125.16 2avg s ILE 76 Ca 0.11 -2.21 0.09 0.00 0.00 0.00 0.00 60.65 58.64 2avg s ILE 76 Cb -0.21 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2avg s ILE 76 CO -0.06 -0.51 -0.23 0.42 0.00 0.00 0.00 174.94 174.56 2avg s THR 77 N 0.95 2.43 -0.24 2.92 -4.23 0.99 0.97 115.64 119.44 2avg s THR 77 Ca 0.08 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2avg s THR 77 Cb -0.19 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2avg s THR 77 CO -0.08 0.31 0.23 0.47 -0.54 0.00 0.00 174.62 175.01 2avg n ASP 78 N 1.56 -3.90 -4.60 3.99 9.92 0.20 -4.59 116.55 119.13 2avg n ASP 78 Ca -0.17 -0.01 -0.43 0.00 -0.53 0.00 0.00 54.79 53.65 2avg n ASP 78 Cb 0.52 -2.41 -0.03 0.00 -0.64 0.00 0.00 41.12 38.56 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2avg s ALA 79 N -2.92 2.82 0.45 2.24 0.00 -0.65 -4.86 121.76 118.83 2avg s ALA 79 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 2avg s ALA 79 Cb -0.00 -4.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.00 2avg s ALA 79 CO 0.25 -2.71 1.44 -1.14 0.00 0.00 0.00 175.76 173.60 2avg s GLN 80 N 5.78 3.71 0.59 0.00 2.00 -1.26 -3.89 119.66 126.59 2avg s GLN 80 Ca 0.81 2.45 0.39 0.00 -2.00 0.00 0.00 55.36 57.01 2avg s GLN 80 Cb -0.23 -2.68 2.13 0.00 0.80 0.00 0.00 33.01 33.03 2avg s GLN 80 CO 0.33 -0.80 2.21 -1.35 -0.50 0.00 0.00 175.29 175.17 2avg h PRO 81 N 2.38 0.00 -0.64 1.67 0.11 -1.93 0.26 132.00 133.84 2avg h PRO 81 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2avg h PRO 81 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2avg h PRO 81 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2avg n ALA 82 N -2.01 3.33 0.08 -0.75 0.00 -1.26 -4.30 120.51 115.60 2avg n ALA 82 Ca -0.03 -1.70 -0.18 0.00 0.00 0.00 0.00 53.44 51.53 2avg n ALA 82 Cb 0.07 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2avg n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2avg h PHE 83 N 4.14 0.55 -0.12 0.00 3.04 -0.83 -3.41 116.94 120.31 2avg h PHE 83 Ca 0.00 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2avg h PHE 83 Cb 1.62 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.11 2avg h PHE 83 CO 0.88 1.44 0.00 2.41 -2.02 0.00 0.00 178.31 181.02 2avg n THR 84 N -3.51 0.00 -1.65 4.41 -1.04 -1.24 0.15 114.28 111.41 2avg n THR 84 Ca -0.17 0.00 -0.58 0.00 -2.04 0.00 0.00 64.05 61.26 2avg n THR 84 Cb 1.05 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.49 2avg n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avg n GLY 85 N 0.01 0.68 2.59 3.41 0.00 0.24 -1.96 105.19 110.16 2avg n GLY 85 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 46.02 46.68 2avg n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 86 N 4.77 5.07 3.65 -0.02 0.00 -1.22 -1.03 105.19 116.41 2avg n GLY 86 Ca 0.31 -2.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.14 2avg n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2avg s TYR 87 N -2.79 3.09 -0.16 1.61 1.51 -0.68 -3.72 117.35 116.22 2avg s TYR 87 Ca 0.41 1.23 -0.01 0.00 -1.01 0.00 0.00 57.07 57.69 2avg s TYR 87 Cb 0.17 -3.47 -0.01 0.00 -0.11 0.00 0.00 41.96 38.54 2avg s TYR 87 CO -0.03 -1.02 -0.12 0.50 -1.11 0.00 0.00 175.55 173.77 2avg s ARG 88 N 3.45 3.33 -0.44 -0.62 3.52 0.44 -2.07 118.95 126.55 2avg s ARG 88 Ca 0.49 -0.69 -0.17 0.00 -0.13 0.00 0.00 55.73 55.23 2avg s ARG 88 Cb -0.17 -2.71 0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2avg s ARG 88 CO 0.12 0.07 0.44 0.00 -0.81 0.00 0.00 175.30 175.12 2avg s GLU 90 N 2.06 2.05 -0.06 0.00 2.12 -0.25 0.23 118.70 124.86 2avg s GLU 90 Ca 0.10 -1.65 -0.02 0.00 0.36 0.00 0.00 54.97 53.76 2avg s GLU 90 Cb -0.19 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 2avg s GLU 90 CO 0.12 -0.90 0.05 0.54 -0.54 0.00 0.00 175.26 174.52 2avg s VAL 91 N 1.14 4.64 -0.20 3.70 0.11 -0.76 -1.82 120.40 127.20 2avg s VAL 91 Ca 0.04 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2avg s VAL 91 Cb -0.21 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.68 2avg s VAL 91 CO -0.04 0.52 0.05 -0.44 -3.33 0.00 0.00 175.10 171.86 2avg s SER 92 N -1.20 2.97 0.38 3.54 0.01 0.19 -3.18 113.70 116.40 2avg s SER 92 Ca 0.17 -0.88 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2avg s SER 92 Cb -0.12 -0.58 -0.07 0.00 0.21 0.00 0.00 66.02 65.46 2avg s SER 92 CO 0.07 -0.32 -0.02 -0.89 0.41 0.00 0.00 173.24 172.48 2avg s THR 93 N 1.87 2.00 0.00 1.44 2.01 -0.75 -0.89 115.64 121.33 2avg s THR 93 Ca 0.00 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.94 2avg s THR 93 Cb -0.17 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2avg s THR 93 CO -0.10 -0.07 0.00 2.29 -0.69 0.00 0.00 174.62 176.04 2avg n LYS 94 N -0.88 0.00 0.00 4.92 -0.00 -1.26 -2.14 118.16 118.80 2avg n LYS 94 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2avg n LYS 94 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2avg n ASP 95 N -2.01 0.00 -4.59 -5.58 2.03 -1.26 -5.02 116.55 100.12 2avg n ASP 95 Ca 0.00 -0.69 -0.41 0.00 0.52 0.00 0.00 54.79 54.21 2avg n ASP 95 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2avg n ASP 95 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2avg s LYS 96 N 0.00 3.86 -0.01 -0.67 -0.14 -0.91 -3.50 119.74 118.38 2avg s LYS 96 Ca 0.00 0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.93 2avg s LYS 96 Cb 0.00 -3.75 -0.01 0.00 -1.68 0.00 0.00 37.83 32.40 2avg s LYS 96 CO 0.00 -0.63 -0.08 0.12 -0.76 0.00 0.00 175.35 174.00 2avg s PHE 97 N 2.70 0.69 0.15 3.18 5.36 -1.26 -1.80 117.98 127.00 2avg s PHE 97 Ca 0.26 -0.13 -0.25 0.00 -0.96 0.00 0.00 56.93 55.85 2avg s PHE 97 Cb -0.15 -0.45 0.07 0.00 -0.34 0.00 0.00 43.02 42.15 2avg s PHE 97 CO 0.13 -0.02 0.99 0.34 -1.46 0.00 0.00 175.22 175.20 2avg s ASP 98 N -0.15 -0.16 0.00 6.13 -1.08 -1.19 -5.06 116.67 115.16 2avg s ASP 98 Ca 0.03 -0.41 -0.13 0.00 -0.52 0.00 0.00 52.55 51.52 2avg s ASP 98 Cb -0.03 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 41.91 2avg s ASP 98 CO -0.00 -0.87 0.28 0.00 0.52 0.00 0.00 175.17 175.10 2avg s SER 100 N -1.50 2.71 -0.19 0.00 1.04 0.14 -4.93 113.70 110.96 2avg s SER 100 Ca -0.12 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 2avg s SER 100 Cb -0.05 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 2avg s SER 100 CO 0.02 0.24 -0.04 0.21 0.98 0.00 0.00 173.24 174.65 2avg s ASN 101 N -0.27 4.49 -0.08 7.02 2.47 -1.26 -0.91 114.94 126.39 2avg s ASN 101 Ca 0.01 -0.29 -0.04 0.00 0.42 0.00 0.00 52.86 52.96 2avg s ASN 101 Cb -0.11 -1.75 0.04 0.00 -1.45 0.00 0.00 41.25 37.97 2avg s ASN 101 CO 0.01 0.05 0.19 0.72 -3.72 0.00 0.00 177.10 174.36 2avg s PHE 102 N 1.05 -0.24 -0.09 0.43 -0.71 -0.88 -4.77 117.98 112.77 2avg s PHE 102 Ca 0.01 0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 56.50 2avg s PHE 102 Cb -0.15 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2avg s PHE 102 CO 0.00 -0.19 0.02 0.54 -1.34 0.00 0.00 175.22 174.25 2avg s ASN 103 N 1.10 5.35 -0.40 1.98 2.20 -1.24 -1.69 114.94 122.24 2avg s ASN 103 Ca -0.08 0.17 -0.08 0.00 -0.94 0.00 0.00 52.86 51.93 2avg s ASN 103 Cb -0.10 -1.55 0.07 0.00 -2.00 0.00 0.00 41.25 37.68 2avg s ASN 103 CO -0.06 0.37 0.22 -0.22 -2.94 0.00 0.00 177.10 174.47 2avg s LEU 104 N -0.85 4.99 -0.77 3.54 2.96 -0.20 -0.70 118.68 127.65 2avg s LEU 104 Ca 0.13 -1.47 -0.22 0.00 -0.22 0.00 0.00 54.13 52.35 2avg s LEU 104 Cb -0.11 -1.95 0.08 0.00 0.50 0.00 0.00 46.19 44.71 2avg s LEU 104 CO 0.02 -0.49 1.07 -0.89 -1.32 0.00 0.00 176.35 174.74 2avg s THR 105 N 1.40 4.35 -0.36 3.68 2.01 0.15 0.80 115.64 127.66 2avg s THR 105 Ca 0.02 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2avg s THR 105 Cb -0.22 -4.76 0.01 0.00 0.01 0.00 0.00 72.50 67.54 2avg s THR 105 CO 0.02 -1.54 1.36 0.54 -0.69 0.00 0.00 174.62 174.31 2avg s VAL 106 N 3.89 4.00 -0.79 3.82 0.11 -1.25 -1.25 120.40 128.95 2avg s VAL 106 Ca 0.28 1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 60.15 2avg s VAL 106 Cb -0.12 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 2avg s VAL 106 CO 0.04 -0.64 1.65 -1.00 -3.33 0.00 0.00 175.10 171.81 2avg s HIS 107 N 4.96 2.02 -0.89 1.54 3.76 0.48 -4.80 115.29 122.36 2avg s HIS 107 Ca 0.59 0.23 -0.24 0.00 -0.15 0.00 0.00 55.06 55.48 2avg s HIS 107 Cb -0.15 -4.34 0.01 0.00 1.11 0.00 0.00 32.58 29.22 2avg s HIS 107 CO 0.29 -2.06 1.60 -2.00 -0.85 0.00 0.00 174.74 171.72 2avg s GLU 108 N 6.30 3.14 0.13 1.40 -6.30 -1.26 -1.24 118.70 120.87 2avg s GLU 108 Ca 0.55 -0.55 0.09 0.00 -2.50 0.00 0.00 54.97 52.55 2avg s GLU 108 Cb -0.08 -4.97 -0.04 0.00 0.00 0.00 0.00 34.13 29.05 2avg s GLU 108 CO 0.09 -2.57 -0.15 0.00 0.02 0.00 0.00 175.26 172.65 2avg s ALA 109 N 6.93 2.78 0.00 6.30 0.00 -1.26 -5.04 121.76 131.47 2avg s ALA 109 Ca 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2avg s ALA 109 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2avg s ALA 109 CO 0.00 0.57 0.00 -0.12 0.00 0.00 0.00 175.76 176.21