#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 4.64 -0.97 -2.24 1.01 -1.26 -4.95 116.67 112.90 2avg s ASP 2 Ca 0.00 -0.88 -0.24 0.00 0.71 0.00 0.00 52.55 52.14 2avg s ASP 2 Cb 0.00 -0.61 -0.07 0.00 1.01 0.00 0.00 42.92 43.24 2avg s ASP 2 CO 0.00 -0.44 2.00 -2.16 0.21 0.00 0.00 175.17 174.78 2avg s PRO 3 N -3.91 2.39 0.15 8.23 0.04 -1.26 -4.39 135.00 136.24 2avg s PRO 3 Ca 0.40 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2avg s PRO 3 Cb -0.00 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2avg s PRO 3 CO 0.23 -3.73 0.00 -0.89 0.04 0.00 0.00 177.00 172.66 2avg n ILE 4 N 8.00 0.75 -1.22 0.56 -0.00 -1.26 -4.99 119.36 121.20 2avg n ILE 4 Ca 0.42 0.25 0.00 0.00 -0.00 0.00 0.00 62.75 63.42 2avg n ILE 4 Cb 0.46 -1.23 0.00 0.00 -0.00 0.00 0.00 39.64 38.87 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 2.82 1.03 0.28 7.39 0.00 -1.26 -4.94 105.19 110.51 2avg n GLY 5 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.32 -7.81 0.99 5.85 -1.91 -2.64 115.31 109.47 2avg h LEU 6 Ca 0.00 0.19 -0.72 0.00 0.84 0.00 0.00 57.88 58.19 2avg h LEU 6 Cb 0.52 0.34 -0.18 0.00 0.37 0.00 0.00 40.66 41.71 2avg h LEU 6 CO 0.00 -0.17 1.19 -0.36 -0.34 0.00 0.00 178.44 178.75 2avg s PHE 7 N -6.11 3.37 0.02 1.25 0.40 -1.26 -1.10 117.98 114.55 2avg s PHE 7 Ca -0.13 -1.89 -0.23 0.00 -0.60 0.00 0.00 56.93 54.08 2avg s PHE 7 Cb 0.22 -4.31 -0.16 0.00 0.51 0.00 0.00 43.02 39.29 2avg s PHE 7 CO 0.75 -1.43 1.37 0.28 0.70 0.00 0.00 175.22 176.90 2avg h VAL 8 N 5.05 1.32 -2.87 -0.44 2.07 -0.88 -3.44 116.25 117.07 2avg h VAL 8 Ca 0.26 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.58 2avg h VAL 8 Cb 0.92 1.84 -0.29 0.00 -1.52 0.00 0.00 31.29 32.25 2avg h VAL 8 CO 1.20 0.29 -0.42 -0.32 0.02 0.00 0.00 177.57 178.35 2avg s MET 9 N -4.57 0.27 0.11 1.57 -2.45 -1.03 -4.98 119.30 108.22 2avg s MET 9 Ca -0.15 0.64 -0.05 0.00 -1.25 0.00 0.00 55.69 54.88 2avg s MET 9 Cb 0.04 -0.08 -0.05 0.00 1.25 0.00 0.00 34.83 35.99 2avg s MET 9 CO 0.71 -0.17 0.36 -0.98 1.05 0.00 0.00 175.02 175.99 2avg s ARG 10 N 1.37 3.62 0.68 4.11 1.70 -1.26 -0.53 118.95 128.64 2avg s ARG 10 Ca -0.09 -0.07 -0.11 0.00 -0.47 0.00 0.00 55.73 54.99 2avg s ARG 10 Cb -0.10 -2.91 -0.00 0.00 -0.57 0.00 0.00 34.95 31.37 2avg s ARG 10 CO -0.10 0.51 1.07 -1.25 -1.08 0.00 0.00 175.30 174.45 2avg s PRO 11 N -2.43 3.08 0.34 3.89 0.05 -1.23 -4.91 135.00 133.80 2avg s PRO 11 Ca 0.38 0.61 0.05 0.00 0.05 0.00 0.00 61.00 62.09 2avg s PRO 11 Cb -0.13 -2.03 -0.07 0.00 0.05 0.00 0.00 34.50 32.32 2avg s PRO 11 CO 0.23 -0.91 0.04 -0.65 0.05 0.00 0.00 177.00 175.76 2avg s GLN 12 N -5.26 1.73 0.00 4.56 -1.52 -1.26 -4.62 119.66 113.29 2avg s GLN 12 Ca 0.57 -1.96 0.00 0.00 -1.95 0.00 0.00 55.36 52.02 2avg s GLN 12 Cb -0.11 -1.09 0.00 0.00 -0.22 0.00 0.00 33.01 31.59 2avg s GLN 12 CO 0.53 -0.14 0.00 -0.40 -0.25 0.00 0.00 175.29 175.03 2avg n ASP 13 N -0.75 0.00 0.00 5.90 5.75 -1.26 -4.66 116.55 121.53 2avg n ASP 13 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2avg n ASP 13 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2avg n GLY 14 N 3.70 3.78 3.18 6.12 0.00 -0.27 -4.86 105.19 116.84 2avg n GLY 14 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 2.70 0.16 1.61 2.02 -1.26 -0.37 118.70 122.79 2avg s GLU 15 Ca 0.00 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2avg s GLU 15 Cb 0.00 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 2avg s GLU 15 CO 0.00 -0.45 -0.02 0.14 0.02 0.00 0.00 175.26 174.95 2avg s VAL 16 N 1.29 0.74 0.32 2.63 -7.23 -0.34 -4.94 120.40 112.86 2avg s VAL 16 Ca -0.02 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2avg s VAL 16 Cb -0.17 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2avg s VAL 16 CO -0.04 -0.55 0.56 -0.89 -0.31 0.00 0.00 175.10 173.87 2avg s THR 17 N -3.61 5.06 -0.34 5.32 2.01 -1.26 0.16 115.64 122.98 2avg s THR 17 Ca 0.22 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2avg s THR 17 Cb 0.06 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2avg s THR 17 CO 0.03 -0.45 2.15 -0.69 -0.69 0.00 0.00 174.62 174.97 2avg s VAL 18 N -2.21 3.13 0.00 3.82 1.01 -0.80 -1.83 120.40 123.52 2avg s VAL 18 Ca 0.42 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2avg s VAL 18 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2avg s VAL 18 CO 0.33 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2avg n GLY 19 N 5.75 1.32 0.00 4.51 0.00 -1.21 -4.98 105.19 110.58 2avg n GLY 19 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.87 0.51 3.41 -0.02 0.00 -0.76 -4.62 105.19 102.84 2avg n GLY 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.00 -0.11 -0.08 1.61 1.04 -1.26 0.75 113.70 114.64 2avg s SER 21 Ca 0.00 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.69 2avg s SER 21 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 2avg s SER 21 CO 0.00 -0.95 0.28 -0.51 0.98 0.00 0.00 173.24 173.04 2avg s ILE 22 N -3.91 0.02 -0.03 -1.02 1.10 0.48 -4.79 121.20 113.06 2avg s ILE 22 Ca 0.12 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 2avg s ILE 22 Cb 0.01 -0.45 0.03 0.00 0.15 0.00 0.00 42.46 42.20 2avg s ILE 22 CO -0.03 -0.09 0.01 -0.89 -2.11 0.00 0.00 174.94 171.84 2avg s THR 23 N -0.29 0.08 0.02 4.00 2.01 -1.26 -1.16 115.64 119.05 2avg s THR 23 Ca -0.04 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2avg s THR 23 Cb -0.03 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2avg s THR 23 CO 0.01 0.13 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.54 2avg s PHE 24 N 1.10 1.54 -0.09 4.92 0.08 -1.05 -4.92 117.98 119.55 2avg s PHE 24 Ca -0.09 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2avg s PHE 24 Cb -0.13 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2avg s PHE 24 CO -0.02 0.03 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.93 2avg s SER 25 N -0.84 1.92 -0.19 1.36 0.01 -1.26 0.31 113.70 115.01 2avg s SER 25 Ca 0.06 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2avg s SER 25 Cb -0.08 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.41 2avg s SER 25 CO 0.01 -0.08 -0.17 0.00 0.41 0.00 0.00 173.24 173.40 2avg s ALA 26 N 1.39 2.28 -0.23 1.44 0.00 0.19 -3.48 121.76 123.34 2avg s ALA 26 Ca -0.01 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2avg s ALA 26 Cb -0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2avg s ALA 26 CO -0.04 -0.51 0.07 1.03 0.00 0.00 0.00 175.76 176.31 2avg s ARG 27 N 1.30 3.74 -0.10 0.00 0.52 0.31 0.25 118.95 124.98 2avg s ARG 27 Ca 0.03 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2avg s ARG 27 Cb -0.14 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 32.03 2avg s ARG 27 CO -0.11 -0.08 -0.16 0.08 0.02 0.00 0.00 175.30 175.05 2avg s VAL 28 N 1.33 1.54 -0.18 3.52 1.01 0.04 -1.50 120.40 126.16 2avg s VAL 28 Ca 0.05 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2avg s VAL 28 Cb -0.15 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2avg s VAL 28 CO 0.04 0.45 2.13 0.00 0.00 0.00 0.00 175.10 177.71 2avg n ALA 29 N 3.97 1.49 -0.30 5.51 0.00 -0.26 0.39 120.51 131.32 2avg n ALA 29 Ca -0.20 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2avg n ALA 29 Cb 0.52 -2.75 0.19 0.00 0.00 0.00 0.00 19.45 17.41 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 12.96 1.35 0.00 0.00 0.00 0.13 -3.45 103.07 114.07 2avg h GLY 30 Ca -0.41 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2avg h GLY 30 CO 0.97 0.08 0.00 0.00 0.00 0.00 0.00 176.54 177.59 2avg n ALA 31 N -2.39 0.00 -3.40 3.60 0.00 -1.25 -4.73 120.51 112.35 2avg n ALA 31 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 2avg n ALA 31 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 2avg n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2avg s SER 32 N -4.00 1.83 0.38 0.00 0.15 -1.26 -5.13 113.70 105.67 2avg s SER 32 Ca 0.00 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2avg s SER 32 Cb 0.00 -0.82 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2avg s SER 32 CO 0.00 0.05 0.71 -1.48 1.20 0.00 0.00 173.24 173.72 2avg s LEU 33 N 0.59 0.29 0.06 3.45 -0.00 -1.26 -4.99 118.68 116.82 2avg s LEU 33 Ca -0.14 -1.26 -0.16 0.00 -0.00 0.00 0.00 54.13 52.58 2avg s LEU 33 Cb -0.15 2.49 -0.20 0.00 -0.00 0.00 0.00 46.19 48.33 2avg s LEU 33 CO 0.04 -1.60 1.21 0.25 -0.00 0.00 0.00 176.35 176.25 2avg h LEU 34 N 2.02 0.75 -7.51 1.48 5.85 -1.98 -3.47 115.31 112.45 2avg h LEU 34 Ca -0.31 -0.68 -0.12 0.00 0.84 0.00 0.00 57.88 57.61 2avg h LEU 34 Cb 1.25 -0.22 -0.20 0.00 0.37 0.00 0.00 40.66 41.85 2avg h LEU 34 CO 0.40 1.32 -0.28 -1.59 -0.34 0.00 0.00 178.44 177.95 2avg s LYS 35 N -3.53 0.66 0.27 1.25 0.00 -1.26 -5.10 119.74 112.02 2avg s LYS 35 Ca -0.12 -0.19 -0.28 0.00 0.00 0.00 0.00 55.97 55.39 2avg s LYS 35 Cb 0.06 0.29 -0.15 0.00 0.00 0.00 0.00 37.83 38.04 2avg s LYS 35 CO 0.87 -0.18 0.83 -2.30 0.00 0.00 0.00 175.35 174.56 2avg n PRO 36 N 1.29 0.87 -1.66 1.78 -0.02 -1.26 -4.57 135.00 131.44 2avg n PRO 36 Ca -0.22 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.13 2avg n PRO 36 Cb 0.56 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2avg n PRO 37 N 0.80 1.86 -3.37 0.52 -0.02 -1.26 -4.92 135.00 128.61 2avg n PRO 37 Ca 0.12 0.66 -0.45 0.00 -2.02 0.00 0.00 63.50 61.81 2avg n PRO 37 Cb 0.30 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 2avg n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2avg s VAL 38 N -0.61 5.22 -0.26 -1.45 1.01 -0.86 -4.93 120.40 118.51 2avg s VAL 38 Ca 0.62 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2avg s VAL 38 Cb -0.65 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.59 2avg s VAL 38 CO 0.56 -0.63 -0.02 -0.69 0.00 0.00 0.00 175.10 174.32 2avg s VAL 39 N 1.66 3.21 -0.15 2.92 1.01 -1.26 0.26 120.40 128.05 2avg s VAL 39 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2avg s VAL 39 Cb -0.25 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2avg s VAL 39 CO 0.06 0.17 0.01 -1.59 0.00 0.00 0.00 175.10 173.75 2avg s LYS 40 N 1.38 3.68 0.37 2.72 0.00 -0.63 -4.93 119.74 122.32 2avg s LYS 40 Ca 0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 55.97 55.51 2avg s LYS 40 Cb -0.17 -3.01 -0.05 0.00 0.00 0.00 0.00 37.83 34.60 2avg s LYS 40 CO -0.02 0.34 0.64 -1.58 0.00 0.00 0.00 175.35 174.72 2avg s TRP 41 N 0.15 3.50 -0.03 1.78 0.52 -1.26 -1.00 118.94 122.59 2avg s TRP 41 Ca 0.02 0.67 -0.01 0.00 0.02 0.00 0.00 56.10 56.79 2avg s TRP 41 Cb -0.13 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.07 2avg s TRP 41 CO 0.02 0.01 0.04 0.12 0.02 0.00 0.00 176.95 177.16 2avg s PHE 42 N -2.34 0.10 -0.35 -1.98 5.36 0.71 -2.42 117.98 117.06 2avg s PHE 42 Ca 0.45 0.17 -0.10 0.00 -0.96 0.00 0.00 56.93 56.48 2avg s PHE 42 Cb -0.10 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.19 2avg s PHE 42 CO 0.35 -0.15 0.19 0.21 -1.46 0.00 0.00 175.22 174.35 2avg s LYS 43 N 1.66 3.05 -0.91 10.12 2.20 0.28 -0.07 119.74 136.06 2avg s LYS 43 Ca -0.01 -0.93 -0.22 0.00 -0.36 0.00 0.00 55.97 54.45 2avg s LYS 43 Cb -0.13 -3.67 0.08 0.00 -1.51 0.00 0.00 37.83 32.61 2avg s LYS 43 CO -0.03 -0.58 1.24 0.20 -0.36 0.00 0.00 175.35 175.82 2avg s GLY 44 N 1.58 1.50 -0.18 5.54 0.00 -0.47 -1.15 107.32 114.14 2avg s GLY 44 Ca 0.03 -2.32 0.13 0.00 0.00 0.00 0.00 44.72 42.57 2avg s GLY 44 CO 0.07 2.34 0.02 1.17 0.00 0.00 0.00 173.10 176.69 2avg n LYS 45 N 7.86 1.07 0.00 2.90 4.81 -1.26 -2.18 118.16 131.36 2avg n LYS 45 Ca 0.22 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2avg n LYS 45 Cb 0.49 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.10 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 2avg n TRP 46 N -2.72 0.00 -2.39 5.64 2.14 -1.16 -5.00 117.44 113.96 2avg n TRP 46 Ca -0.30 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.03 2avg n TRP 46 Cb 1.04 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.59 2avg n TRP 46 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 2avg s VAL 47 N 0.00 2.71 -0.11 -1.67 -7.23 -0.30 -4.89 120.40 108.91 2avg s VAL 47 Ca 0.00 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2avg s VAL 47 Cb 0.00 -3.11 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 2avg s VAL 47 CO 0.00 -0.10 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.96 2avg s ASP 48 N -4.44 4.18 0.18 4.85 -1.08 -1.26 0.10 116.67 119.20 2avg s ASP 48 Ca 0.58 -0.25 0.07 0.00 -0.52 0.00 0.00 52.55 52.42 2avg s ASP 48 Cb -0.11 -1.46 0.03 0.00 -1.46 0.00 0.00 42.92 39.93 2avg s ASP 48 CO 0.43 0.21 1.42 -0.07 0.52 0.00 0.00 175.17 177.68 2avg h LEU 49 N 6.34 0.08 -2.60 -1.34 4.07 -1.79 -3.33 115.31 116.74 2avg h LEU 49 Ca -0.32 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.57 2avg h LEU 49 Cb 1.20 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 2avg h LEU 49 CO 0.55 0.88 -0.01 -1.28 -1.08 0.00 0.00 178.44 177.50 2avg h SER 50 N 0.03 0.00 0.00 -0.43 0.87 -1.97 0.42 113.55 112.48 2avg h SER 50 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2avg h SER 50 Cb 1.47 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2avg h SER 50 CO 0.12 0.01 -1.95 -0.24 -0.53 0.00 0.00 176.83 174.24 2avg n SER 51 N -3.35 0.27 0.00 6.23 2.88 -1.25 -4.85 113.62 113.56 2avg n SER 51 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2avg n SER 51 Cb 0.11 1.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 2avg n SER 51 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2avg n LYS 52 N -2.22 0.00 -0.54 -1.46 5.02 0.15 -5.01 118.16 114.09 2avg n LYS 52 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2avg n LYS 52 Cb 0.55 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2avg n VAL 53 N -1.53 -0.18 -1.83 -0.18 0.31 -0.97 -4.93 118.33 109.02 2avg n VAL 53 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2avg n VAL 53 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 1.12 4.89 0.26 2.92 0.00 0.36 -4.81 105.19 109.93 2avg n GLY 54 Ca 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 0.09 1.61 -0.00 -1.95 -1.88 115.11 112.98 2avg h GLN 55 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.28 2avg h GLN 55 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 2avg h GLN 55 CO 0.00 0.09 -2.09 -2.39 0.00 0.00 0.00 178.83 174.44 2avg n HIS 56 N -4.01 0.96 -3.80 3.99 1.44 -1.26 -4.72 115.22 107.81 2avg n HIS 56 Ca -0.02 0.21 -0.29 0.00 -2.01 0.00 0.00 57.72 55.61 2avg n HIS 56 Cb 0.18 -1.13 -0.16 0.00 0.12 0.00 0.00 29.99 29.00 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 -6.83 2.05 -0.32 2.39 2.96 -0.98 0.12 118.68 118.06 2avg s LEU 57 Ca -0.23 -1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 52.25 2avg s LEU 57 Cb 0.07 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 2avg s LEU 57 CO 0.74 -0.33 0.47 -1.10 -1.32 0.00 0.00 176.35 174.81 2avg s GLN 58 N 1.62 3.75 -0.80 1.98 1.11 0.01 0.14 119.66 127.47 2avg s GLN 58 Ca 0.02 -0.09 -0.19 0.00 0.01 0.00 0.00 55.36 55.12 2avg s GLN 58 Cb -0.18 -3.76 0.13 0.00 -1.01 0.00 0.00 33.01 28.20 2avg s GLN 58 CO -0.14 -0.52 0.96 -1.17 0.01 0.00 0.00 175.29 174.44 2avg s LEU 59 N 2.27 5.26 0.39 2.90 0.20 -1.26 -0.15 118.68 128.29 2avg s LEU 59 Ca 0.17 -1.84 0.01 0.00 0.69 0.00 0.00 54.13 53.16 2avg s LEU 59 Cb -0.16 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 2avg s LEU 59 CO 0.12 -1.06 0.60 -1.00 -0.29 0.00 0.00 176.35 174.71 2avg s HIS 60 N 2.54 3.37 -0.18 5.38 3.76 0.03 -4.90 115.29 125.30 2avg s HIS 60 Ca 0.24 0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 2avg s HIS 60 Cb -0.11 -2.08 0.05 0.00 1.11 0.00 0.00 32.58 31.55 2avg s HIS 60 CO -0.03 -0.09 0.01 0.16 -0.85 0.00 0.00 174.74 173.94 2avg s ASP 61 N -4.12 2.88 0.26 1.40 -4.77 -1.25 0.25 116.67 111.33 2avg s ASP 61 Ca 0.44 -0.76 -0.14 0.00 -3.30 0.00 0.00 52.55 48.78 2avg s ASP 61 Cb -0.10 -0.71 -0.08 0.00 -1.09 0.00 0.00 42.92 40.94 2avg s ASP 61 CO 0.37 -0.27 0.66 -0.44 0.70 0.00 0.00 175.17 176.19 2avg s SER 62 N 1.77 6.77 -0.36 2.11 0.01 0.35 -4.87 113.70 119.48 2avg s SER 62 Ca -0.01 1.18 0.02 0.00 1.31 0.00 0.00 55.95 58.45 2avg s SER 62 Cb -0.16 -2.33 0.11 0.00 0.21 0.00 0.00 66.02 63.85 2avg s SER 62 CO -0.07 -0.11 0.12 -0.47 0.41 0.00 0.00 173.24 173.13 2avg s TYR 63 N -1.82 2.55 -0.50 2.43 5.04 -1.26 -0.91 117.35 122.87 2avg s TYR 63 Ca 0.49 -2.40 -0.01 0.00 -2.44 0.00 0.00 57.07 52.70 2avg s TYR 63 Cb -0.12 -2.23 0.13 0.00 0.35 0.00 0.00 41.96 40.09 2avg s TYR 63 CO 0.19 -0.87 0.29 -0.51 -1.34 0.00 0.00 175.55 173.31 2avg s ASP 64 N 0.97 5.09 0.14 4.32 1.11 -0.38 -4.90 116.67 123.02 2avg s ASP 64 Ca 0.12 -2.49 0.13 0.00 0.18 0.00 0.00 52.55 50.50 2avg s ASP 64 Cb -0.20 -1.80 -0.10 0.00 1.07 0.00 0.00 42.92 41.89 2avg s ASP 64 CO -0.13 -0.42 1.13 0.03 1.18 0.00 0.00 175.17 176.97 2avg h ARG 65 N 7.42 0.00 0.00 8.23 2.47 -1.94 0.87 114.38 131.43 2avg h ARG 65 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2avg h ARG 65 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2avg h ARG 65 CO 0.69 0.58 0.00 0.00 0.56 0.00 0.00 179.97 181.79 2avg h ALA 66 N 1.28 1.00 0.00 0.04 0.00 -1.94 -1.95 119.26 117.68 2avg h ALA 66 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2avg h ALA 66 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2avg h ALA 66 CO 0.08 0.00 -1.09 0.43 0.00 0.00 0.00 179.25 178.67 2avg n SER 67 N -2.71 1.42 -2.37 0.00 7.64 -1.09 -5.00 113.62 111.51 2avg n SER 67 Ca 0.01 -0.37 -0.17 0.00 1.01 0.00 0.00 58.87 59.35 2avg n SER 67 Cb 0.26 1.29 0.03 0.00 -1.01 0.00 0.00 64.21 64.78 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2avg n LYS 68 N -1.62 -3.87 -4.41 1.43 3.00 0.26 -4.93 118.16 108.01 2avg n LYS 68 Ca -0.00 0.69 -0.20 0.00 -0.00 0.00 0.00 58.31 58.80 2avg n LYS 68 Cb 0.26 -5.10 -0.15 0.00 0.00 0.00 0.00 35.03 30.04 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 -3.04 0.80 -0.31 3.15 1.01 0.11 0.84 120.40 122.96 2avg s VAL 69 Ca 0.24 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2avg s VAL 69 Cb -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2avg s VAL 69 CO 0.30 0.24 0.19 -0.31 0.00 0.00 0.00 175.10 175.53 2avg s TYR 70 N 0.08 3.20 -0.51 5.22 2.02 0.16 -1.24 117.35 126.28 2avg s TYR 70 Ca -0.01 -0.26 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 2avg s TYR 70 Cb -0.07 -2.40 0.07 0.00 -0.40 0.00 0.00 41.96 39.15 2avg s TYR 70 CO 0.00 -0.34 0.59 -1.17 -1.57 0.00 0.00 175.55 173.06 2avg s LEU 71 N 1.69 5.18 -0.42 -1.29 2.96 -0.08 -0.78 118.68 125.94 2avg s LEU 71 Ca 0.06 -1.09 -0.28 0.00 -0.22 0.00 0.00 54.13 52.61 2avg s LEU 71 Cb -0.17 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.18 2avg s LEU 71 CO 0.09 -0.88 1.04 -0.36 -1.32 0.00 0.00 176.35 174.92 2avg s PHE 72 N 2.42 2.95 -0.17 5.38 0.40 0.14 0.13 117.98 129.22 2avg s PHE 72 Ca 0.12 0.74 0.01 0.00 -0.60 0.00 0.00 56.93 57.20 2avg s PHE 72 Cb -0.21 -4.05 0.02 0.00 0.51 0.00 0.00 43.02 39.28 2avg s PHE 72 CO 0.10 -1.06 -0.20 -1.83 0.70 0.00 0.00 175.22 172.93 2avg s GLU 73 N 3.97 3.01 -0.16 0.44 -1.05 0.14 0.53 118.70 125.58 2avg s GLU 73 Ca 0.43 -0.83 -0.22 0.00 -0.15 0.00 0.00 54.97 54.21 2avg s GLU 73 Cb -0.10 -2.56 -0.03 0.00 -0.44 0.00 0.00 34.13 31.00 2avg s GLU 73 CO 0.25 -0.17 0.66 -0.51 0.95 0.00 0.00 175.26 176.44 2avg s LEU 74 N 1.21 4.19 -0.52 1.83 1.43 0.15 -0.78 118.68 126.18 2avg s LEU 74 Ca 0.03 0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 2avg s LEU 74 Cb -0.13 -2.96 0.14 0.00 0.03 0.00 0.00 46.19 43.26 2avg s LEU 74 CO -0.11 -0.24 0.35 -1.00 0.23 0.00 0.00 176.35 175.58 2avg s HIS 75 N 1.65 3.50 -0.34 0.29 3.76 0.79 -2.52 115.29 122.41 2avg s HIS 75 Ca 0.31 -2.38 0.04 0.00 -0.15 0.00 0.00 55.06 52.88 2avg s HIS 75 Cb -0.16 -3.31 0.10 0.00 1.11 0.00 0.00 32.58 30.32 2avg s HIS 75 CO 0.12 -0.93 0.06 0.42 -0.85 0.00 0.00 174.74 173.56 2avg s ILE 76 N 0.70 2.34 -0.04 0.60 1.01 -0.31 -0.81 121.20 124.70 2avg s ILE 76 Ca 0.11 -2.33 0.05 0.00 0.00 0.00 0.00 60.65 58.48 2avg s ILE 76 Cb -0.22 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2avg s ILE 76 CO -0.03 -0.61 -0.18 0.42 0.00 0.00 0.00 174.94 174.54 2avg s THR 77 N 0.91 2.73 -0.23 2.92 -4.23 0.32 0.18 115.64 118.25 2avg s THR 77 Ca 0.11 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2avg s THR 77 Cb -0.19 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2avg s THR 77 CO -0.08 0.59 0.21 -0.67 -0.54 0.00 0.00 174.62 174.13 2avg n ASP 78 N 2.35 -3.35 -4.62 3.99 2.03 0.23 -4.50 116.55 112.68 2avg n ASP 78 Ca -0.17 -0.10 -0.43 0.00 0.52 0.00 0.00 54.79 54.61 2avg n ASP 78 Cb 0.52 -1.91 -0.02 0.00 -0.72 0.00 0.00 41.12 38.98 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2avg s ALA 79 N -3.05 3.19 0.67 -1.67 0.00 -1.26 -4.81 121.76 114.82 2avg s ALA 79 Ca 0.06 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 2avg s ALA 79 Cb -0.01 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2avg s ALA 79 CO 0.19 -2.09 1.23 1.14 0.00 0.00 0.00 175.76 176.24 2avg s GLN 80 N 4.72 2.51 0.00 0.00 -2.07 -1.26 -3.31 119.66 120.24 2avg s GLN 80 Ca 0.66 1.87 0.00 0.00 -1.82 0.00 0.00 55.36 56.07 2avg s GLN 80 Cb -0.20 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 29.86 2avg s GLN 80 CO 0.29 -1.58 0.61 -0.35 -1.32 0.00 0.00 175.29 172.94 2avg n PRO 81 N -2.15 0.65 0.00 9.60 -0.04 -1.26 -1.41 135.00 140.39 2avg n PRO 81 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2avg n PRO 81 Cb 0.49 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2avg n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2avg n ALA 82 N -0.43 2.40 1.97 0.55 0.00 -1.26 -4.58 120.51 119.15 2avg n ALA 82 Ca 0.00 -0.33 0.15 0.00 0.00 0.00 0.00 53.44 53.26 2avg n ALA 82 Cb 0.02 -0.07 0.88 0.00 0.00 0.00 0.00 19.45 20.27 2avg n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2avg n PHE 83 N -0.34 0.00 -1.53 0.00 3.72 -0.50 -4.66 117.46 114.15 2avg n PHE 83 Ca 0.01 -0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 2avg n PHE 83 Cb 0.05 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2avg n THR 84 N -0.90 -0.05 0.00 4.37 -1.04 -1.25 -4.29 114.28 111.13 2avg n THR 84 Ca 0.23 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2avg n THR 84 Cb 0.12 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 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 6.21 1.55 3.55 3.41 0.00 -0.00 -4.76 105.19 115.15 2avg n GLY 85 Ca 0.49 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.85 2avg n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2avg s GLY 86 N 0.00 -0.43 -0.15 -0.02 0.00 -1.07 -1.27 107.32 104.39 2avg s GLY 86 Ca 0.00 2.72 -0.23 0.00 0.00 0.00 0.00 44.72 47.21 2avg s GLY 86 CO 0.00 3.03 0.71 -0.19 0.00 0.00 0.00 173.10 176.65 2avg s TYR 87 N 2.44 3.45 -0.15 1.90 1.51 0.95 -1.37 117.35 126.08 2avg s TYR 87 Ca -0.05 1.12 -0.06 0.00 -1.01 0.00 0.00 57.07 57.07 2avg s TYR 87 Cb -0.08 -2.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.87 2avg s TYR 87 CO -0.18 -0.11 0.04 1.03 -1.11 0.00 0.00 175.55 175.21 2avg s ARG 88 N 1.65 3.69 -0.21 -0.62 0.52 0.90 -2.95 118.95 121.92 2avg s ARG 88 Ca 0.34 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 55.14 2avg s ARG 88 Cb -0.17 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 2avg s ARG 88 CO 0.13 0.39 -0.05 0.00 0.02 0.00 0.00 175.30 175.80 2avg s GLU 90 N 1.29 1.87 -0.16 0.00 2.02 -0.17 -0.07 118.70 123.47 2avg s GLU 90 Ca 0.03 -1.60 -0.09 0.00 0.02 0.00 0.00 54.97 53.33 2avg s GLU 90 Cb -0.14 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 2avg s GLU 90 CO -0.02 -0.75 0.15 0.54 0.02 0.00 0.00 175.26 175.20 2avg s VAL 91 N 1.00 5.44 -0.21 2.63 0.11 -0.94 -1.61 120.40 126.82 2avg s VAL 91 Ca 0.01 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2avg s VAL 91 Cb -0.20 -3.45 0.07 0.00 -1.53 0.00 0.00 36.38 31.27 2avg s VAL 91 CO -0.06 0.51 0.06 -0.55 -3.33 0.00 0.00 175.10 171.72 2avg s SER 92 N -0.20 3.00 0.17 3.54 0.15 0.14 -3.19 113.70 117.32 2avg s SER 92 Ca 0.11 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 55.87 2avg s SER 92 Cb -0.12 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 2avg s SER 92 CO 0.01 -0.34 -0.03 -0.89 1.20 0.00 0.00 173.24 173.19 2avg s THR 93 N 1.90 0.89 0.00 6.45 2.01 -1.03 -2.03 115.64 123.82 2avg s THR 93 Ca 0.02 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.01 2avg s THR 93 Cb -0.17 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.27 2avg s THR 93 CO -0.13 -0.54 0.00 2.29 -0.69 0.00 0.00 174.62 175.56 2avg n LYS 94 N -0.26 0.00 0.00 4.92 2.85 -1.26 -1.55 118.16 122.86 2avg n LYS 94 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2avg n LYS 94 Cb 0.62 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 2avg n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2avg n ASP 95 N 0.00 0.00 -4.74 -5.58 2.03 -1.26 -5.01 116.55 101.98 2avg n ASP 95 Ca 0.00 -1.00 -0.38 0.00 0.52 0.00 0.00 54.79 53.93 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 -0.75 -1.92 0.00 0.00 177.20 174.53 2avg s LYS 96 N 0.00 4.27 0.04 -0.67 2.47 -0.59 -1.67 119.74 123.58 2avg s LYS 96 Ca 0.00 0.45 0.04 0.00 -1.56 0.00 0.00 55.97 54.90 2avg s LYS 96 Cb 0.00 -3.39 -0.02 0.00 -1.46 0.00 0.00 37.83 32.96 2avg s LYS 96 CO 0.00 0.27 -0.12 0.12 0.16 0.00 0.00 175.35 175.78 2avg s PHE 97 N 0.26 1.06 -0.16 4.03 2.19 -1.26 -2.46 117.98 121.64 2avg s PHE 97 Ca 0.26 -0.36 -0.35 0.00 0.33 0.00 0.00 56.93 56.81 2avg s PHE 97 Cb -0.16 -0.63 0.14 0.00 -1.31 0.00 0.00 43.02 41.07 2avg s PHE 97 CO 0.11 0.01 1.28 0.34 1.83 0.00 0.00 175.22 178.80 2avg s ASP 98 N -1.15 -0.08 -0.17 6.13 -1.08 -1.19 -4.96 116.67 114.17 2avg s ASP 98 Ca -0.01 -0.03 -0.14 0.00 -0.52 0.00 0.00 52.55 51.85 2avg s ASP 98 Cb -0.08 0.11 0.05 0.00 -1.46 0.00 0.00 42.92 41.54 2avg s ASP 98 CO 0.01 -0.19 0.44 0.00 0.52 0.00 0.00 175.17 175.95 2avg s SER 100 N 0.42 5.21 -0.15 0.00 1.04 0.89 -4.95 113.70 116.16 2avg s SER 100 Ca -0.01 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.35 2avg s SER 100 Cb -0.04 -1.34 0.04 0.00 0.10 0.00 0.00 66.02 64.78 2avg s SER 100 CO -0.02 0.23 -0.01 0.54 0.98 0.00 0.00 173.24 174.97 2avg s ASN 101 N -1.94 2.47 -0.04 7.02 6.03 -1.26 -2.50 114.94 124.72 2avg s ASN 101 Ca 0.23 -0.54 -0.04 0.00 -1.03 0.00 0.00 52.86 51.48 2avg s ASN 101 Cb -0.12 -0.66 0.01 0.00 -3.03 0.00 0.00 41.25 37.46 2avg s ASN 101 CO 0.15 -0.23 0.12 0.72 -2.03 0.00 0.00 177.10 175.83 2avg s PHE 102 N 1.82 -0.12 0.22 1.54 -0.71 -1.15 -4.85 117.98 114.73 2avg s PHE 102 Ca 0.02 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.21 2avg s PHE 102 Cb -0.15 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2avg s PHE 102 CO -0.07 -0.07 0.40 -0.80 -1.34 0.00 0.00 175.22 173.35 2avg s ASN 103 N 0.03 6.36 -0.19 1.98 0.01 -1.26 -0.04 114.94 121.83 2avg s ASN 103 Ca -0.00 0.36 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2avg s ASN 103 Cb -0.01 -1.99 0.04 0.00 0.41 0.00 0.00 41.25 39.70 2avg s ASN 103 CO 0.00 -0.08 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.21 2avg s LEU 104 N -3.54 2.12 -0.67 0.60 2.96 -0.39 -1.11 118.68 118.65 2avg s LEU 104 Ca 0.38 -0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 2avg s LEU 104 Cb -0.11 -1.14 0.16 0.00 0.50 0.00 0.00 46.19 45.60 2avg s LEU 104 CO 0.30 -0.16 0.66 -0.89 -1.32 0.00 0.00 176.35 174.93 2avg s THR 105 N 1.46 5.29 -0.42 3.68 2.01 0.50 -0.82 115.64 127.34 2avg s THR 105 Ca -0.01 -1.80 -0.29 0.00 0.31 0.00 0.00 61.69 59.90 2avg s THR 105 Cb -0.16 -4.43 0.02 0.00 0.01 0.00 0.00 72.50 67.94 2avg s THR 105 CO -0.08 -0.99 1.21 0.54 -0.69 0.00 0.00 174.62 174.61 2avg s VAL 106 N 1.26 4.18 -0.78 3.82 0.11 -1.24 -1.20 120.40 126.55 2avg s VAL 106 Ca 0.11 1.25 -0.26 0.00 -2.93 0.00 0.00 61.98 60.15 2avg s VAL 106 Cb -0.21 -4.43 0.03 0.00 -1.53 0.00 0.00 36.38 30.24 2avg s VAL 106 CO -0.02 -0.80 1.39 -1.00 -3.33 0.00 0.00 175.10 171.34 2avg s HIS 107 N 4.53 2.24 0.13 1.54 3.76 0.42 -4.75 115.29 123.16 2avg s HIS 107 Ca 0.51 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 55.34 2avg s HIS 107 Cb -0.11 -4.56 -0.10 0.00 1.11 0.00 0.00 32.58 28.92 2avg s HIS 107 CO 0.28 -2.07 1.30 1.49 -0.85 0.00 0.00 174.74 174.88 2avg h GLU 108 N 10.59 0.32 -3.03 1.40 4.81 -1.86 -2.13 114.58 124.68 2avg h GLU 108 Ca -0.19 -0.38 -0.36 0.00 -0.13 0.00 0.00 59.36 58.30 2avg h GLU 108 Cb 1.06 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.56 2avg h GLU 108 CO 1.30 1.08 -0.49 0.00 -0.73 0.00 0.00 179.01 180.17 2avg n ALA 109 N -2.52 -0.64 0.02 2.92 0.00 -1.26 -4.94 120.51 114.10 2avg n ALA 109 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2avg n ALA 109 Cb 0.86 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17