#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 3.61 -0.99 -2.24 -1.08 -1.26 -4.95 116.67 109.76 2avg s ASP 2 Ca 0.00 -0.58 -0.22 0.00 -0.52 0.00 0.00 52.55 51.23 2avg s ASP 2 Cb 0.00 -0.44 -0.26 0.00 -1.46 0.00 0.00 42.92 40.76 2avg s ASP 2 CO 0.00 0.21 2.48 -0.81 0.52 0.00 0.00 175.17 177.57 2avg n PRO 3 N 1.17 0.03 0.09 4.34 -0.04 -1.26 -4.61 135.00 134.72 2avg n PRO 3 Ca -0.17 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2avg n PRO 3 Cb 0.52 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2avg n PRO 3 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2avg n ILE 4 N 6.76 0.67 -1.13 0.52 -0.00 -1.26 -5.02 119.36 119.89 2avg n ILE 4 Ca 0.66 0.22 0.00 0.00 -0.00 0.00 0.00 62.75 63.63 2avg n ILE 4 Cb 0.09 -1.09 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 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 2.61 0.69 0.26 7.39 0.00 -1.26 -4.96 105.19 109.92 2avg n GLY 5 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 0.28 -7.72 0.99 5.85 -1.94 -3.25 115.31 109.52 2avg h LEU 6 Ca 0.00 -0.04 -0.78 0.00 0.84 0.00 0.00 57.88 57.90 2avg h LEU 6 Cb 0.64 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 41.35 2avg h LEU 6 CO 0.00 0.35 0.43 0.12 -0.34 0.00 0.00 178.44 179.00 2avg s PHE 7 N -4.94 3.90 -0.02 1.25 5.36 -1.26 -2.30 117.98 119.97 2avg s PHE 7 Ca -0.06 -2.25 -0.22 0.00 -0.96 0.00 0.00 56.93 53.43 2avg s PHE 7 Cb 0.16 -3.91 -0.23 0.00 -0.34 0.00 0.00 43.02 38.69 2avg s PHE 7 CO 0.73 -1.06 1.07 0.28 -1.46 0.00 0.00 175.22 174.78 2avg h VAL 8 N 4.39 1.49 -3.50 3.12 2.07 -1.33 -3.45 116.25 119.04 2avg h VAL 8 Ca 0.16 -1.99 -0.29 0.00 0.82 0.00 0.00 66.70 65.41 2avg h VAL 8 Cb 0.95 2.67 -0.33 0.00 -1.52 0.00 0.00 31.29 33.06 2avg h VAL 8 CO 0.94 0.56 -0.71 -0.32 0.02 0.00 0.00 177.57 178.05 2avg s MET 9 N -3.19 -0.02 -0.20 1.57 -2.45 -0.79 -4.94 119.30 109.28 2avg s MET 9 Ca -0.15 0.20 -0.08 0.00 -1.25 0.00 0.00 55.69 54.41 2avg s MET 9 Cb 0.02 -0.23 -0.04 0.00 1.25 0.00 0.00 34.83 35.83 2avg s MET 9 CO 0.78 -0.16 0.09 -0.98 1.05 0.00 0.00 175.02 175.79 2avg s ARG 10 N 1.04 4.01 0.65 4.11 1.70 -1.26 -1.00 118.95 128.19 2avg s ARG 10 Ca -0.09 -0.32 -0.18 0.00 -0.47 0.00 0.00 55.73 54.68 2avg s ARG 10 Cb -0.12 -3.30 -0.01 0.00 -0.57 0.00 0.00 34.95 30.95 2avg s ARG 10 CO -0.03 0.22 1.25 -1.25 -1.08 0.00 0.00 175.30 174.41 2avg s PRO 11 N 0.54 2.57 0.44 3.89 0.04 -1.10 -4.90 135.00 136.48 2avg s PRO 11 Ca 0.05 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2avg s PRO 11 Cb -0.12 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2avg s PRO 11 CO 0.01 -1.55 0.02 -0.65 0.04 0.00 0.00 177.00 174.87 2avg s GLN 12 N -3.49 2.01 0.00 4.56 -1.52 -1.26 -4.74 119.66 115.21 2avg s GLN 12 Ca 0.79 -2.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.00 2avg s GLN 12 Cb -0.34 -1.40 0.00 0.00 -0.22 0.00 0.00 33.01 31.05 2avg s GLN 12 CO 0.39 -0.22 0.00 -0.40 -0.25 0.00 0.00 175.29 174.81 2avg n ASP 13 N -1.08 0.00 0.00 5.90 5.75 -1.26 -4.73 116.55 121.13 2avg n ASP 13 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 2.67 3.34 3.19 6.12 0.00 0.11 -4.85 105.19 115.77 2avg n GLY 14 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.33 2.39 0.21 1.61 2.02 -1.26 -0.47 118.70 122.87 2avg s GLU 15 Ca 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 54.97 53.67 2avg s GLU 15 Cb 0.00 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2avg s GLU 15 CO 0.00 -0.73 -0.05 0.14 0.02 0.00 0.00 175.26 174.64 2avg s VAL 16 N 1.27 1.20 0.26 2.63 -7.23 -0.03 -4.93 120.40 113.57 2avg s VAL 16 Ca -0.01 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2avg s VAL 16 Cb -0.20 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2avg s VAL 16 CO -0.01 -0.46 0.45 -0.89 -0.31 0.00 0.00 175.10 173.89 2avg s THR 17 N -3.31 5.16 -0.48 5.32 2.01 -1.26 0.17 115.64 123.26 2avg s THR 17 Ca 0.25 -0.41 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 2avg s THR 17 Cb 0.04 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2avg s THR 17 CO 0.07 -0.32 1.86 -0.69 -0.69 0.00 0.00 174.62 174.84 2avg s VAL 18 N -2.04 3.40 0.00 3.82 1.01 -0.26 -1.82 120.40 124.51 2avg s VAL 18 Ca 0.39 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2avg s VAL 18 Cb -0.10 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2avg s VAL 18 CO 0.31 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2avg n GLY 19 N 5.58 0.83 0.00 4.51 0.00 -1.26 -5.01 105.19 109.84 2avg n GLY 19 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.51 3.54 -0.02 0.00 -0.76 -4.75 105.19 103.72 2avg n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.18 -0.06 1.61 1.04 -1.26 0.08 113.70 114.29 2avg s SER 21 Ca 0.00 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.19 2avg s SER 21 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2avg s SER 21 CO 0.00 -1.19 0.30 -0.51 0.98 0.00 0.00 173.24 172.82 2avg s ILE 22 N -3.69 0.03 -0.03 -1.02 1.10 0.34 -4.78 121.20 113.16 2avg s ILE 22 Ca 0.25 -0.29 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 2avg s ILE 22 Cb -0.00 -0.53 0.03 0.00 0.15 0.00 0.00 42.46 42.11 2avg s ILE 22 CO 0.12 -0.16 0.02 -0.89 -2.11 0.00 0.00 174.94 171.92 2avg s THR 23 N -0.69 0.03 0.04 4.00 2.01 -1.26 -1.45 115.64 118.32 2avg s THR 23 Ca -0.08 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2avg s THR 23 Cb -0.04 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2avg s THR 23 CO 0.02 0.12 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.54 2avg s PHE 24 N 1.14 1.54 -0.08 4.92 0.08 -1.00 -4.86 117.98 119.72 2avg s PHE 24 Ca -0.08 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 2avg s PHE 24 Cb -0.13 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.43 2avg s PHE 24 CO -0.03 0.07 -0.03 -1.12 -0.10 0.00 0.00 175.22 174.01 2avg s SER 25 N -1.15 1.71 -0.17 1.36 0.01 -1.26 0.62 113.70 114.83 2avg s SER 25 Ca 0.05 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2avg s SER 25 Cb -0.08 -0.59 0.03 0.00 0.21 0.00 0.00 66.02 65.59 2avg s SER 25 CO 0.02 -0.14 -0.13 0.00 0.41 0.00 0.00 173.24 173.40 2avg s ALA 26 N 1.70 1.92 -0.26 1.44 0.00 0.11 -2.70 121.76 123.97 2avg s ALA 26 Ca 0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 2avg s ALA 26 Cb -0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 2avg s ALA 26 CO -0.05 -0.56 0.05 1.03 0.00 0.00 0.00 175.76 176.23 2avg s ARG 27 N 1.45 3.45 -0.13 0.00 0.52 -0.17 0.04 118.95 124.11 2avg s ARG 27 Ca 0.02 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 2avg s ARG 27 Cb -0.14 -3.29 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 2avg s ARG 27 CO -0.10 -0.26 -0.19 0.08 0.02 0.00 0.00 175.30 174.85 2avg s VAL 28 N 1.56 2.41 -0.28 3.52 1.01 -0.49 -1.63 120.40 126.50 2avg s VAL 28 Ca 0.05 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 2avg s VAL 28 Cb -0.15 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2avg s VAL 28 CO 0.02 0.54 2.27 0.00 0.00 0.00 0.00 175.10 177.92 2avg n ALA 29 N 3.85 1.56 -0.12 5.51 0.00 -0.97 -0.17 120.51 130.16 2avg n ALA 29 Ca -0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 2avg n ALA 29 Cb 0.52 -2.95 0.01 0.00 0.00 0.00 0.00 19.45 17.03 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 15.80 0.22 0.00 0.00 0.00 0.34 -3.45 103.07 115.98 2avg h GLY 30 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2avg h GLY 30 CO 1.00 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 177.37 2avg n ALA 31 N -2.77 0.00 -3.75 3.60 0.00 -1.25 -4.45 120.51 111.89 2avg n ALA 31 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2avg n ALA 31 Cb 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 3.72 0.33 0.00 0.15 -1.26 -5.05 113.70 107.59 2avg s SER 32 Ca 0.00 -3.05 0.03 0.00 0.70 0.00 0.00 55.95 53.62 2avg s SER 32 Cb 0.00 -1.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.15 2avg s SER 32 CO 0.00 -0.20 0.23 0.00 1.20 0.00 0.00 173.24 174.47 2avg n LEU 33 N 2.99 0.00 0.22 3.45 -0.00 -1.26 -4.99 117.00 117.41 2avg n LEU 33 Ca 0.14 -1.73 0.18 0.00 -0.00 0.00 0.00 56.01 54.60 2avg n LEU 33 Cb 0.36 -0.01 0.85 0.00 -0.00 0.00 0.00 43.42 44.62 2avg n LEU 33 CO 0.24 -0.45 1.15 0.25 -0.00 0.00 0.00 177.39 178.59 2avg h LEU 34 N 0.00 0.00 0.00 1.47 5.85 -1.98 -3.44 115.31 117.21 2avg h LEU 34 Ca -0.21 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.30 2avg h LEU 34 Cb 0.76 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2avg h LEU 34 CO 0.33 0.00 -0.03 2.29 -0.34 0.00 0.00 178.44 180.69 2avg n LYS 35 N -3.63 0.80 -2.43 1.25 -0.00 -1.26 -5.12 118.16 107.78 2avg n LYS 35 Ca 0.01 -2.56 -0.39 0.00 -0.00 0.00 0.00 58.31 55.37 2avg n LYS 35 Cb 0.34 2.64 -0.04 0.00 -0.00 0.00 0.00 35.03 37.97 2avg n LYS 35 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2avg s PRO 36 N -2.58 4.41 0.23 -1.58 0.02 -1.26 -4.95 135.00 129.28 2avg s PRO 36 Ca 0.25 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 2avg s PRO 36 Cb -0.02 -2.95 -0.14 0.00 0.02 0.00 0.00 34.50 31.41 2avg s PRO 36 CO 0.18 0.01 1.29 -2.30 -0.33 0.00 0.00 177.00 175.85 2avg n PRO 37 N 0.69 1.70 -3.27 5.54 -0.02 -1.26 -4.89 135.00 133.49 2avg n PRO 37 Ca 0.01 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.65 2avg n PRO 37 Cb 0.46 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.23 5.07 -0.28 -1.45 1.01 -0.89 -4.91 120.40 118.72 2avg s VAL 38 Ca 0.68 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2avg s VAL 38 Cb -0.72 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.41 2avg s VAL 38 CO 0.52 -0.78 0.02 -0.69 0.00 0.00 0.00 175.10 174.18 2avg s VAL 39 N 2.07 3.51 -0.18 2.92 1.01 -1.26 0.59 120.40 129.06 2avg s VAL 39 Ca 0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2avg s VAL 39 Cb -0.24 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2avg s VAL 39 CO 0.07 0.10 0.06 -1.59 0.00 0.00 0.00 175.10 173.75 2avg s LYS 40 N 1.42 3.96 0.38 2.72 0.00 -0.22 -4.95 119.74 123.04 2avg s LYS 40 Ca 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 55.97 55.54 2avg s LYS 40 Cb -0.17 -3.20 -0.06 0.00 0.00 0.00 0.00 37.83 34.40 2avg s LYS 40 CO -0.00 0.27 0.71 -1.58 0.00 0.00 0.00 175.35 174.75 2avg s TRP 41 N 0.38 3.48 -0.01 1.78 0.52 -1.26 -1.22 118.94 122.59 2avg s TRP 41 Ca 0.03 0.93 0.02 0.00 0.02 0.00 0.00 56.10 57.09 2avg s TRP 41 Cb -0.12 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.85 2avg s TRP 41 CO 0.00 -0.04 -0.06 0.12 0.02 0.00 0.00 176.95 176.99 2avg s PHE 42 N -2.31 0.59 0.35 -1.98 5.36 0.14 -4.43 117.98 115.70 2avg s PHE 42 Ca 0.49 -0.12 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 2avg s PHE 42 Cb -0.10 -0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.15 2avg s PHE 42 CO 0.32 -0.04 0.38 0.21 -1.46 0.00 0.00 175.22 174.62 2avg s LYS 43 N 0.05 2.82 0.00 10.12 2.20 0.21 -0.99 119.74 134.15 2avg s LYS 43 Ca -0.00 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 2avg s LYS 43 Cb -0.05 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2avg s LYS 43 CO -0.00 0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 2avg n GLY 44 N -1.51 0.00 0.01 5.54 0.00 -1.19 -2.71 105.19 105.33 2avg n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.24 -3.40 118.16 120.15 2avg n LYS 45 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2avg n LYS 45 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 -1.15 0.00 -3.40 2.13 4.27 -1.26 -4.91 117.44 113.12 2avg n TRP 46 Ca -0.00 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.30 2avg n TRP 46 Cb 0.43 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.34 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 4.98 -0.17 -1.67 1.01 -1.10 -4.93 120.40 118.52 2avg s VAL 47 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2avg s VAL 47 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2avg s VAL 47 CO 0.00 -0.15 -0.05 -0.62 0.00 0.00 0.00 175.10 174.28 2avg s ASP 48 N -2.63 4.56 0.26 3.32 2.15 -1.26 0.67 116.67 123.74 2avg s ASP 48 Ca 0.46 -0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.22 2avg s ASP 48 Cb -0.11 -1.75 0.33 0.00 -0.30 0.00 0.00 42.92 41.10 2avg s ASP 48 CO 0.24 0.12 1.67 -0.07 -0.17 0.00 0.00 175.17 176.96 2avg h LEU 49 N 7.08 0.52 -2.67 -1.34 4.07 -1.89 -3.04 115.31 118.03 2avg h LEU 49 Ca -0.33 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 57.44 2avg h LEU 49 Cb 1.19 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 2avg h LEU 49 CO 0.61 0.80 0.07 0.28 -1.08 0.00 0.00 178.44 179.12 2avg h SER 50 N 0.43 0.00 0.38 -0.43 0.02 -1.94 0.98 113.55 112.99 2avg h SER 50 Ca 0.05 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.70 2avg h SER 50 Cb 0.77 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 2avg h SER 50 CO 0.06 0.00 -1.86 -0.24 -1.14 0.00 0.00 176.83 173.65 2avg n SER 51 N -3.30 0.65 -0.09 3.07 2.88 -1.15 -4.44 113.62 111.24 2avg n SER 51 Ca -0.02 0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 2avg n SER 51 Cb 0.14 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.69 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 -2.95 0.68 -1.51 -1.46 4.76 0.19 -4.86 118.16 113.00 2avg n LYS 52 Ca -0.20 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.02 2avg n LYS 52 Cb 1.06 -1.57 -0.16 0.00 -1.84 0.00 0.00 35.03 32.51 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 -2.84 -0.01 0.00 -0.18 0.31 0.28 -4.35 118.33 111.55 2avg n VAL 53 Ca -0.31 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2avg n VAL 53 Cb 1.13 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 6.05 -0.29 0.13 2.92 0.00 0.36 -4.88 105.19 109.47 2avg n GLY 54 Ca 0.61 0.47 -0.21 0.00 0.00 0.00 0.00 46.02 46.89 2avg n GLY 54 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2avg n GLN 55 N 0.00 0.71 -0.07 1.61 1.13 -1.26 -4.10 117.38 115.39 2avg n GLN 55 Ca 0.00 0.31 -0.18 0.00 -1.94 0.00 0.00 57.00 55.20 2avg n GLN 55 Cb 0.00 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 28.53 2avg n GLN 55 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2avg n HIS 56 N -3.67 0.52 -3.88 1.08 1.44 -1.26 -4.71 115.22 104.73 2avg n HIS 56 Ca -0.34 0.12 -0.35 0.00 -2.01 0.00 0.00 57.72 55.14 2avg n HIS 56 Cb 0.97 -1.07 -0.13 0.00 0.12 0.00 0.00 29.99 29.87 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 -6.56 4.41 -0.33 2.39 1.98 -1.23 0.47 118.68 119.80 2avg s LEU 57 Ca -0.25 -1.60 -0.12 0.00 -2.89 0.00 0.00 54.13 49.26 2avg s LEU 57 Cb 0.08 -1.74 -0.02 0.00 0.66 0.00 0.00 46.19 45.17 2avg s LEU 57 CO 0.70 -0.36 0.23 -1.10 -1.89 0.00 0.00 176.35 173.93 2avg s GLN 58 N 1.18 3.55 -0.79 1.98 1.11 0.14 0.13 119.66 126.95 2avg s GLN 58 Ca 0.01 -0.61 -0.16 0.00 0.01 0.00 0.00 55.36 54.61 2avg s GLN 58 Cb -0.21 -3.78 0.18 0.00 -1.01 0.00 0.00 33.01 28.19 2avg s GLN 58 CO -0.03 -0.41 0.81 -1.17 0.01 0.00 0.00 175.29 174.51 2avg s LEU 59 N 1.72 6.16 0.45 2.90 0.20 -1.26 0.23 118.68 129.08 2avg s LEU 59 Ca 0.06 -2.30 -0.01 0.00 0.69 0.00 0.00 54.13 52.57 2avg s LEU 59 Cb -0.17 -2.26 -0.01 0.00 -0.43 0.00 0.00 46.19 43.31 2avg s LEU 59 CO 0.10 -0.78 0.69 -1.00 -0.29 0.00 0.00 176.35 175.07 2avg s HIS 60 N 1.18 3.34 -0.13 5.38 3.76 0.45 -4.89 115.29 124.37 2avg s HIS 60 Ca 0.19 0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 55.47 2avg s HIS 60 Cb -0.13 -2.27 0.04 0.00 1.11 0.00 0.00 32.58 31.34 2avg s HIS 60 CO -0.06 -0.29 0.00 0.16 -0.85 0.00 0.00 174.74 173.70 2avg s ASP 61 N -4.17 2.27 0.16 1.40 -4.77 -1.25 -0.39 116.67 109.92 2avg s ASP 61 Ca 0.47 -0.44 -0.10 0.00 -3.30 0.00 0.00 52.55 49.18 2avg s ASP 61 Cb -0.10 -0.58 -0.07 0.00 -1.09 0.00 0.00 42.92 41.08 2avg s ASP 61 CO 0.39 -0.23 0.49 -0.44 0.70 0.00 0.00 175.17 176.08 2avg s SER 62 N 1.87 6.65 -0.30 2.11 0.01 0.34 -4.91 113.70 119.47 2avg s SER 62 Ca 0.02 0.86 -0.02 0.00 1.31 0.00 0.00 55.95 58.13 2avg s SER 62 Cb -0.14 -2.20 0.12 0.00 0.21 0.00 0.00 66.02 64.00 2avg s SER 62 CO -0.07 0.04 0.20 -0.47 0.41 0.00 0.00 173.24 173.35 2avg s TYR 63 N -1.62 0.14 -0.26 2.43 5.04 -1.26 -0.58 117.35 121.23 2avg s TYR 63 Ca 0.41 -0.79 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 2avg s TYR 63 Cb -0.13 -0.76 0.03 0.00 0.35 0.00 0.00 41.96 41.45 2avg s TYR 63 CO 0.21 -0.86 -0.04 0.16 -1.34 0.00 0.00 175.55 173.67 2avg s ASP 64 N 2.00 4.46 0.22 4.32 1.47 -0.63 -4.97 116.67 123.53 2avg s ASP 64 Ca 0.11 -0.90 0.03 0.00 1.18 0.00 0.00 52.55 52.97 2avg s ASP 64 Cb -0.16 -1.69 0.19 0.00 -0.34 0.00 0.00 42.92 40.91 2avg s ASP 64 CO -0.29 -0.15 1.52 -0.09 0.68 0.00 0.00 175.17 176.84 2avg h ARG 65 N 8.03 0.26 0.00 2.11 1.12 -1.94 0.33 114.38 124.30 2avg h ARG 65 Ca -0.31 -0.20 -0.04 0.00 -1.11 0.00 0.00 59.98 58.32 2avg h ARG 65 Cb 1.10 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 2avg h ARG 65 CO 0.57 0.83 -0.17 0.00 -3.11 0.00 0.00 179.97 178.09 2avg h ALA 66 N 1.12 1.61 0.00 2.80 0.00 -1.95 -1.06 119.26 121.78 2avg h ALA 66 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2avg h ALA 66 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2avg h ALA 66 CO 0.10 0.21 -1.82 0.43 0.00 0.00 0.00 179.25 178.18 2avg n SER 67 N -4.17 0.29 -2.69 0.00 7.64 -1.19 -4.98 113.62 108.51 2avg n SER 67 Ca -0.02 -0.15 -0.19 0.00 1.01 0.00 0.00 58.87 59.52 2avg n SER 67 Cb 0.24 1.82 0.04 0.00 -1.01 0.00 0.00 64.21 65.31 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 -2.12 -5.04 -4.82 1.43 3.00 0.10 -4.93 118.16 105.78 2avg n LYS 68 Ca -0.03 0.70 -0.25 0.00 -0.00 0.00 0.00 58.31 58.74 2avg n LYS 68 Cb 0.52 -5.22 -0.15 0.00 0.00 0.00 0.00 35.03 30.18 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 -3.14 1.37 -0.40 3.15 1.01 -0.29 0.10 120.40 122.19 2avg s VAL 69 Ca 0.34 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2avg s VAL 69 Cb -0.15 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2avg s VAL 69 CO 0.43 0.39 0.26 -0.31 0.00 0.00 0.00 175.10 175.87 2avg s TYR 70 N -0.33 3.25 -0.53 5.22 1.51 0.76 -1.61 117.35 125.63 2avg s TYR 70 Ca 0.05 -0.90 -0.19 0.00 -1.01 0.00 0.00 57.07 55.02 2avg s TYR 70 Cb -0.07 -2.61 0.07 0.00 -0.11 0.00 0.00 41.96 39.24 2avg s TYR 70 CO -0.00 -0.67 0.64 -1.17 -1.11 0.00 0.00 175.55 173.24 2avg s LEU 71 N 1.59 5.09 -0.37 -1.29 2.96 0.25 -1.40 118.68 125.51 2avg s LEU 71 Ca 0.03 -1.06 -0.22 0.00 -0.22 0.00 0.00 54.13 52.66 2avg s LEU 71 Cb -0.20 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.10 2avg s LEU 71 CO 0.07 -0.94 0.75 -0.36 -1.32 0.00 0.00 176.35 174.55 2avg s PHE 72 N 2.61 3.11 -0.17 5.38 0.08 0.11 0.13 117.98 129.23 2avg s PHE 72 Ca 0.14 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 2avg s PHE 72 Cb -0.21 -3.37 -0.00 0.00 -0.57 0.00 0.00 43.02 38.87 2avg s PHE 72 CO 0.10 -0.74 -0.12 -1.83 -0.10 0.00 0.00 175.22 172.53 2avg s GLU 73 N 3.03 3.28 -0.24 0.44 -1.05 0.48 0.05 118.70 124.68 2avg s GLU 73 Ca 0.29 -0.71 -0.20 0.00 -0.15 0.00 0.00 54.97 54.21 2avg s GLU 73 Cb -0.13 -2.73 -0.02 0.00 -0.44 0.00 0.00 34.13 30.81 2avg s GLU 73 CO 0.17 -0.02 0.60 -0.51 0.95 0.00 0.00 175.26 176.45 2avg s LEU 74 N 0.93 4.08 -0.52 1.83 2.01 0.20 -0.41 118.68 126.81 2avg s LEU 74 Ca -0.02 0.69 -0.04 0.00 0.01 0.00 0.00 54.13 54.77 2avg s LEU 74 Cb -0.15 -2.81 0.14 0.00 0.01 0.00 0.00 46.19 43.37 2avg s LEU 74 CO -0.01 -0.33 0.33 -1.00 1.01 0.00 0.00 176.35 176.35 2avg s HIS 75 N 2.32 3.50 -0.37 0.29 3.76 0.14 -2.37 115.29 122.56 2avg s HIS 75 Ca 0.25 -2.50 0.04 0.00 -0.15 0.00 0.00 55.06 52.70 2avg s HIS 75 Cb -0.16 -3.25 0.11 0.00 1.11 0.00 0.00 32.58 30.39 2avg s HIS 75 CO 0.09 -0.92 0.09 0.42 -0.85 0.00 0.00 174.74 173.57 2avg s ILE 76 N 0.61 2.23 -0.09 0.60 1.01 -0.53 0.24 121.20 125.27 2avg s ILE 76 Ca 0.12 -2.46 0.01 0.00 0.00 0.00 0.00 60.65 58.32 2avg s ILE 76 Cb -0.22 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 2avg s ILE 76 CO -0.04 -0.64 -0.10 0.42 0.00 0.00 0.00 174.94 174.58 2avg s THR 77 N 0.74 3.37 -0.07 2.92 -4.23 0.18 0.13 115.64 118.68 2avg s THR 77 Ca 0.12 -0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2avg s THR 77 Cb -0.20 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2avg s THR 77 CO -0.08 0.57 0.09 -0.67 -0.54 0.00 0.00 174.62 173.99 2avg n ASP 78 N 2.73 -1.39 -4.38 3.99 2.03 0.11 -4.51 116.55 115.13 2avg n ASP 78 Ca -0.18 0.49 -0.39 0.00 0.52 0.00 0.00 54.79 55.24 2avg n ASP 78 Cb 0.53 -2.55 -0.12 0.00 -0.72 0.00 0.00 41.12 38.26 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 -0.24 3.20 0.33 -1.67 0.00 -1.26 -4.85 121.76 117.26 2avg s ALA 79 Ca -0.11 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.04 2avg s ALA 79 Cb 0.01 -2.37 -0.13 0.00 0.00 0.00 0.00 23.12 20.63 2avg s ALA 79 CO 0.29 -1.09 1.22 0.94 0.00 0.00 0.00 175.76 177.11 2avg n GLN 80 N 4.94 1.92 0.05 0.00 7.27 -1.26 -4.22 117.38 126.08 2avg n GLN 80 Ca -0.13 0.67 0.04 0.00 0.07 0.00 0.00 57.00 57.65 2avg n GLN 80 Cb 0.47 -2.21 0.21 0.00 2.41 0.00 0.00 30.24 31.13 2avg n GLN 80 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2avg n PRO 81 N 0.56 0.05 -0.39 3.69 -0.04 -1.26 -0.10 135.00 137.51 2avg n PRO 81 Ca 0.06 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 2avg n PRO 81 Cb 0.35 -1.65 0.30 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.59 2.55 1.02 0.55 0.00 -1.26 -4.02 120.51 117.75 2avg n ALA 82 Ca -0.00 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.33 2avg n ALA 82 Cb 0.03 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 1.33 0.00 -1.52 0.00 3.72 0.85 -4.65 117.46 117.19 2avg n PHE 83 Ca 0.22 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.28 2avg n PHE 83 Cb 0.62 -0.06 -0.12 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.21 -0.03 0.00 4.37 -1.04 -1.24 -3.66 114.28 111.48 2avg n THR 84 Ca 0.06 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2avg n THR 84 Cb 0.35 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 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 6.24 1.81 3.27 3.41 0.00 0.23 -4.07 105.19 116.09 2avg n GLY 85 Ca 0.56 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.40 -0.36 -0.02 0.00 -1.23 -0.41 107.32 104.90 2avg s GLY 86 Ca 0.00 1.54 -0.25 0.00 0.00 0.00 0.00 44.72 46.01 2avg s GLY 86 CO 0.00 2.49 0.88 -0.19 0.00 0.00 0.00 173.10 176.29 2avg s TYR 87 N 2.64 3.10 -0.19 1.90 1.51 0.27 -3.19 117.35 123.38 2avg s TYR 87 Ca -0.01 0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 56.72 2avg s TYR 87 Cb -0.12 -3.55 -0.03 0.00 -0.11 0.00 0.00 41.96 38.15 2avg s TYR 87 CO -0.14 -0.78 0.04 1.03 -1.11 0.00 0.00 175.55 174.60 2avg s ARG 88 N 3.34 3.83 -0.19 -0.62 0.52 -0.16 -2.58 118.95 123.08 2avg s ARG 88 Ca 0.36 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2avg s ARG 88 Cb -0.12 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 2avg s ARG 88 CO 0.17 0.15 -0.06 0.00 0.02 0.00 0.00 175.30 175.59 2avg s GLU 90 N 1.07 0.92 -0.06 0.00 2.02 -0.36 0.15 118.70 122.45 2avg s GLU 90 Ca 0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.75 2avg s GLU 90 Cb -0.15 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 2avg s GLU 90 CO -0.00 -0.43 -0.01 0.54 0.02 0.00 0.00 175.26 175.38 2avg s VAL 91 N 1.83 4.18 -0.18 2.63 0.11 -0.59 -1.05 120.40 127.33 2avg s VAL 91 Ca 0.02 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 2avg s VAL 91 Cb -0.14 -2.78 0.06 0.00 -1.53 0.00 0.00 36.38 31.98 2avg s VAL 91 CO -0.07 0.53 0.03 -0.55 -3.33 0.00 0.00 175.10 171.71 2avg s SER 92 N -1.08 2.71 0.40 3.54 0.15 0.20 -3.14 113.70 116.48 2avg s SER 92 Ca 0.15 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2avg s SER 92 Cb -0.11 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2avg s SER 92 CO 0.05 -0.29 0.08 0.35 1.20 0.00 0.00 173.24 174.63 2avg n THR 93 N 5.06 0.00 0.00 6.45 -2.24 -0.78 -2.09 114.28 120.69 2avg n THR 93 Ca -0.09 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 2avg n THR 93 Cb 0.48 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2avg n THR 93 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2avg n LYS 94 N -1.12 0.00 0.00 -0.78 -0.00 -1.26 -3.16 118.16 111.84 2avg n LYS 94 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2avg n LYS 94 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 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 -3.44 0.00 -4.76 -5.58 -0.08 -1.26 -5.03 116.55 96.40 2avg n ASP 95 Ca 0.00 -0.44 -0.37 0.00 -1.51 0.00 0.00 54.79 52.47 2avg n ASP 95 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2avg n ASP 95 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2avg s LYS 96 N 0.00 4.13 -0.04 -0.67 -0.14 -1.19 -2.08 119.74 119.75 2avg s LYS 96 Ca 0.00 0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 2avg s LYS 96 Cb 0.00 -3.37 0.01 0.00 -1.68 0.00 0.00 37.83 32.79 2avg s LYS 96 CO 0.00 0.36 -0.10 0.12 -0.76 0.00 0.00 175.35 174.97 2avg s PHE 97 N 0.08 1.12 -0.06 3.18 5.36 -1.26 -1.86 117.98 124.54 2avg s PHE 97 Ca 0.18 -0.32 -0.18 0.00 -0.96 0.00 0.00 56.93 55.65 2avg s PHE 97 Cb -0.14 -0.81 0.04 0.00 -0.34 0.00 0.00 43.02 41.77 2avg s PHE 97 CO 0.06 -0.15 0.41 -0.51 -1.46 0.00 0.00 175.22 173.57 2avg s ASP 98 N 0.34 -0.35 -0.02 6.13 1.01 -1.19 -4.98 116.67 117.61 2avg s ASP 98 Ca -0.06 0.41 -0.15 0.00 0.71 0.00 0.00 52.55 53.46 2avg s ASP 98 Cb -0.11 0.51 0.02 0.00 1.01 0.00 0.00 42.92 44.35 2avg s ASP 98 CO 0.01 -0.40 0.31 0.00 0.21 0.00 0.00 175.17 175.31 2avg s SER 100 N -1.21 2.57 -0.20 0.00 1.04 0.12 -4.97 113.70 111.05 2avg s SER 100 Ca -0.13 -0.63 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 2avg s SER 100 Cb -0.05 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 65.95 2avg s SER 100 CO 0.04 0.10 -0.05 0.54 0.98 0.00 0.00 173.24 174.86 2avg s ASN 101 N -1.65 3.25 -0.04 7.02 6.03 -1.26 -1.74 114.94 126.54 2avg s ASN 101 Ca 0.07 -0.88 -0.01 0.00 -1.03 0.00 0.00 52.86 51.01 2avg s ASN 101 Cb -0.10 -1.00 0.03 0.00 -3.03 0.00 0.00 41.25 37.16 2avg s ASN 101 CO 0.03 -0.21 0.08 0.72 -2.03 0.00 0.00 177.10 175.70 2avg s PHE 102 N 1.55 -0.05 -0.09 1.54 -0.71 -1.07 -4.84 117.98 114.32 2avg s PHE 102 Ca -0.02 0.30 -0.03 0.00 -1.04 0.00 0.00 56.93 56.14 2avg s PHE 102 Cb -0.17 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 2avg s PHE 102 CO -0.07 -0.14 0.05 0.54 -1.34 0.00 0.00 175.22 174.25 2avg s ASN 103 N 1.33 5.60 -0.29 1.98 2.20 -1.26 -0.57 114.94 123.94 2avg s ASN 103 Ca -0.07 0.24 -0.06 0.00 -0.94 0.00 0.00 52.86 52.04 2avg s ASN 103 Cb -0.12 -1.66 0.01 0.00 -2.00 0.00 0.00 41.25 37.48 2avg s ASN 103 CO -0.04 0.38 0.06 -0.22 -2.94 0.00 0.00 177.10 174.35 2avg s LEU 104 N -0.97 3.82 -0.68 3.54 2.96 0.45 -0.71 118.68 127.08 2avg s LEU 104 Ca 0.14 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 53.11 2avg s LEU 104 Cb -0.12 -1.85 0.15 0.00 0.50 0.00 0.00 46.19 44.87 2avg s LEU 104 CO 0.03 -0.20 0.70 -0.89 -1.32 0.00 0.00 176.35 174.68 2avg s THR 105 N 1.46 5.16 -0.40 3.68 2.01 0.38 -0.60 115.64 127.34 2avg s THR 105 Ca 0.02 -1.64 -0.29 0.00 0.31 0.00 0.00 61.69 60.09 2avg s THR 105 Cb -0.17 -4.47 0.02 0.00 0.01 0.00 0.00 72.50 67.89 2avg s THR 105 CO 0.02 -1.06 1.11 0.54 -0.69 0.00 0.00 174.62 174.53 2avg s VAL 106 N 1.62 4.35 -0.74 3.82 0.11 -1.25 -0.85 120.40 127.47 2avg s VAL 106 Ca 0.13 1.46 -0.25 0.00 -2.93 0.00 0.00 61.98 60.39 2avg s VAL 106 Cb -0.20 -4.52 0.05 0.00 -1.53 0.00 0.00 36.38 30.18 2avg s VAL 106 CO -0.01 -0.76 1.19 -1.00 -3.33 0.00 0.00 175.10 171.19 2avg s HIS 107 N 4.07 2.44 0.00 1.54 3.76 0.46 -4.75 115.29 122.81 2avg s HIS 107 Ca 0.47 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2avg s HIS 107 Cb -0.09 -4.52 0.00 0.00 1.11 0.00 0.00 32.58 29.07 2avg s HIS 107 CO 0.24 -1.92 0.00 -1.91 -0.85 0.00 0.00 174.74 170.30 2avg n GLU 108 N 8.75 0.00 -3.53 1.40 2.13 -1.26 -1.10 120.64 127.02 2avg n GLU 108 Ca 0.03 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 2avg n GLU 108 Cb 0.48 -0.29 0.00 0.00 0.27 0.00 0.00 31.44 31.90 2avg n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2avg n ALA 109 N -1.15 -2.69 -1.06 4.31 0.00 -1.26 -4.89 120.51 113.77 2avg n ALA 109 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2avg n ALA 109 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38