#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 4.59 -0.89 -1.12 2.15 -1.26 -4.95 116.67 115.19 2avg s ASP 2 Ca 0.00 -0.39 -0.20 0.00 0.43 0.00 0.00 52.55 52.38 2avg s ASP 2 Cb 0.00 -0.93 -0.23 0.00 -0.30 0.00 0.00 42.92 41.46 2avg s ASP 2 CO 0.00 0.13 2.39 -0.81 -0.17 0.00 0.00 175.17 176.71 2avg n PRO 3 N 0.29 0.25 0.03 4.34 -0.04 -1.26 -4.57 135.00 134.03 2avg n PRO 3 Ca -0.11 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 2avg n PRO 3 Cb 0.54 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 7.02 0.50 -1.05 0.52 -0.00 -1.26 -4.85 119.36 120.24 2avg n ILE 4 Ca 0.59 0.17 0.00 0.00 -0.00 0.00 0.00 62.75 63.51 2avg n ILE 4 Cb 0.22 -1.11 0.00 0.00 -0.00 0.00 0.00 39.64 38.75 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 3.17 0.59 0.33 7.39 0.00 -1.26 -4.95 105.19 110.45 2avg n GLY 5 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 0.91 -7.84 0.99 5.85 -1.93 -3.04 115.31 110.24 2avg h LEU 6 Ca 0.00 0.00 -0.72 0.00 0.84 0.00 0.00 57.88 58.00 2avg h LEU 6 Cb 0.50 -0.19 -0.19 0.00 0.37 0.00 0.00 40.66 41.15 2avg h LEU 6 CO 0.00 0.61 0.95 0.12 -0.34 0.00 0.00 178.44 179.78 2avg s PHE 7 N -6.08 3.39 0.23 1.25 5.36 -1.26 -1.22 117.98 119.63 2avg s PHE 7 Ca -0.13 -1.80 -0.07 0.00 -0.96 0.00 0.00 56.93 53.97 2avg s PHE 7 Cb 0.18 -4.23 0.19 0.00 -0.34 0.00 0.00 43.02 38.82 2avg s PHE 7 CO 0.79 -1.38 1.83 0.28 -1.46 0.00 0.00 175.22 175.29 2avg h VAL 8 N 5.17 1.26 -2.53 3.12 2.07 -1.13 -3.43 116.25 120.78 2avg h VAL 8 Ca 0.22 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 2avg h VAL 8 Cb 0.96 0.11 -0.24 0.00 -1.52 0.00 0.00 31.29 30.60 2avg h VAL 8 CO 1.13 0.31 -0.19 -0.32 0.02 0.00 0.00 177.57 178.51 2avg s MET 9 N -5.75 0.51 0.02 1.57 -2.45 -1.09 -4.99 119.30 107.11 2avg s MET 9 Ca -0.13 0.79 -0.16 0.00 -1.25 0.00 0.00 55.69 54.94 2avg s MET 9 Cb 0.17 0.13 -0.06 0.00 1.25 0.00 0.00 34.83 36.32 2avg s MET 9 CO 0.83 -0.12 0.46 1.03 1.05 0.00 0.00 175.02 178.28 2avg s ARG 10 N 0.91 4.04 0.00 4.11 0.52 -1.26 -2.54 118.95 124.72 2avg s ARG 10 Ca -0.05 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 2avg s ARG 10 Cb -0.06 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.17 2avg s ARG 10 CO -0.08 0.64 0.00 -0.35 0.02 0.00 0.00 175.30 175.54 2avg n PRO 11 N 1.90 0.56 -4.71 3.54 -0.04 -1.26 -4.99 135.00 130.02 2avg n PRO 11 Ca -0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 2avg n PRO 11 Cb 0.52 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.81 2avg n PRO 11 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2avg s GLN 12 N -1.16 1.85 0.00 0.54 -1.52 -1.26 -4.94 119.66 113.17 2avg s GLN 12 Ca 0.00 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 2avg s GLN 12 Cb 0.00 -1.52 0.00 0.00 -0.22 0.00 0.00 33.01 31.27 2avg s GLN 12 CO 0.00 0.09 0.00 -0.25 -0.25 0.00 0.00 175.29 174.88 2avg n ASP 13 N 3.62 0.00 0.00 5.90 8.00 -1.26 -4.87 116.55 127.94 2avg n ASP 13 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2avg n ASP 13 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.00 4.54 2.73 0.44 0.00 -0.43 -4.30 105.19 108.17 2avg n GLY 14 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 2avg n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2avg s GLU 15 N -3.66 0.56 0.15 1.61 2.12 -1.26 0.95 118.70 119.17 2avg s GLU 15 Ca 0.00 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.06 2avg s GLU 15 Cb 0.00 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 2avg s GLU 15 CO 0.00 -0.58 0.06 0.14 -0.54 0.00 0.00 175.26 174.34 2avg s VAL 16 N 1.92 0.21 0.27 3.70 -7.23 0.03 -4.91 120.40 114.39 2avg s VAL 16 Ca 0.01 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2avg s VAL 16 Cb -0.16 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2avg s VAL 16 CO -0.08 -0.40 0.46 -0.89 -0.31 0.00 0.00 175.10 173.89 2avg s THR 17 N -3.98 5.16 -0.37 5.32 2.01 -1.26 0.13 115.64 122.64 2avg s THR 17 Ca 0.26 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 2avg s THR 17 Cb 0.07 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2avg s THR 17 CO 0.04 -0.35 2.03 -0.69 -0.69 0.00 0.00 174.62 174.95 2avg s VAL 18 N -2.07 3.25 0.00 3.82 1.01 0.17 -2.08 120.40 124.50 2avg s VAL 18 Ca 0.39 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2avg s VAL 18 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2avg s VAL 18 CO 0.32 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2avg n GLY 19 N 5.66 1.37 0.00 4.51 0.00 -1.22 -4.95 105.19 110.56 2avg n GLY 19 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.63 0.55 3.42 -0.02 0.00 -0.88 -4.67 105.19 102.96 2avg n GLY 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.09 -0.01 1.61 1.04 -1.26 0.59 113.70 114.59 2avg s SER 21 Ca 0.00 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.60 2avg s SER 21 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2avg s SER 21 CO 0.00 -0.96 0.25 -0.51 0.98 0.00 0.00 173.24 173.00 2avg s ILE 22 N -3.93 0.07 -0.02 -1.02 1.10 0.63 -4.82 121.20 113.21 2avg s ILE 22 Ca 0.14 -0.56 0.00 0.00 -0.51 0.00 0.00 60.65 59.72 2avg s ILE 22 Cb 0.01 -0.57 0.02 0.00 0.15 0.00 0.00 42.46 42.07 2avg s ILE 22 CO -0.01 -0.31 0.00 -0.89 -2.11 0.00 0.00 174.94 171.62 2avg s THR 23 N -1.40 0.11 -0.02 4.00 2.01 -1.26 -1.99 115.64 117.08 2avg s THR 23 Ca -0.14 0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2avg s THR 23 Cb -0.06 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2avg s THR 23 CO 0.03 0.10 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.56 2avg s PHE 24 N 0.73 1.39 -0.04 4.92 0.08 -0.83 -4.90 117.98 119.32 2avg s PHE 24 Ca -0.07 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2avg s PHE 24 Cb -0.10 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2avg s PHE 24 CO -0.02 -0.08 0.07 -1.54 -0.10 0.00 0.00 175.22 173.55 2avg s SER 25 N -0.12 0.61 -0.09 1.36 1.04 -1.26 0.12 113.70 115.35 2avg s SER 25 Ca 0.01 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.59 2avg s SER 25 Cb -0.08 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2avg s SER 25 CO 0.00 -0.20 -0.20 0.00 0.98 0.00 0.00 173.24 173.83 2avg s ALA 26 N 1.73 1.87 -0.19 5.32 0.00 0.12 -4.01 121.76 126.60 2avg s ALA 26 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2avg s ALA 26 Cb -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2avg s ALA 26 CO -0.04 0.19 0.01 1.03 0.00 0.00 0.00 175.76 176.95 2avg s ARG 27 N 0.52 3.71 -0.06 0.00 0.52 -1.05 -0.83 118.95 121.76 2avg s ARG 27 Ca -0.16 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2avg s ARG 27 Cb -0.17 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2avg s ARG 27 CO 0.06 0.09 -0.13 0.08 0.02 0.00 0.00 175.30 175.42 2avg s VAL 28 N 0.80 1.18 -0.09 3.52 1.01 -0.25 -1.45 120.40 125.12 2avg s VAL 28 Ca 0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2avg s VAL 28 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2avg s VAL 28 CO 0.02 0.36 1.74 0.00 0.00 0.00 0.00 175.10 177.22 2avg s ALA 29 N 0.46 3.47 0.44 5.51 0.00 -0.36 0.61 121.76 131.89 2avg s ALA 29 Ca -0.11 0.88 0.16 0.00 0.00 0.00 0.00 51.96 52.90 2avg s ALA 29 Cb -0.14 -3.81 1.08 0.00 0.00 0.00 0.00 23.12 20.25 2avg s ALA 29 CO 0.03 -1.66 1.94 0.78 0.00 0.00 0.00 175.76 176.85 2avg h GLY 30 N 10.99 0.60 0.00 0.00 0.00 -0.48 -3.46 103.07 110.73 2avg h GLY 30 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2avg h GLY 30 CO 0.96 0.06 0.00 0.00 0.00 0.00 0.00 176.54 177.57 2avg n ALA 31 N -2.53 0.00 -3.61 3.60 0.00 -1.26 -4.62 120.51 112.09 2avg n ALA 31 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 2avg n ALA 31 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 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 4.22 0.22 0.00 0.15 -1.26 -5.10 113.70 107.93 2avg s SER 32 Ca 0.00 -0.57 -0.19 0.00 0.70 0.00 0.00 55.95 55.89 2avg s SER 32 Cb 0.00 -1.70 0.03 0.00 -1.71 0.00 0.00 66.02 62.64 2avg s SER 32 CO 0.00 -0.06 0.60 -1.48 1.20 0.00 0.00 173.24 173.50 2avg s LEU 33 N 1.42 -0.14 0.09 3.45 2.34 -1.26 -4.92 118.68 119.66 2avg s LEU 33 Ca 0.04 -0.47 0.07 0.00 0.06 0.00 0.00 54.13 53.83 2avg s LEU 33 Cb -0.15 2.39 -0.22 0.00 -0.56 0.00 0.00 46.19 47.66 2avg s LEU 33 CO -0.04 -1.14 1.16 -0.07 -1.06 0.00 0.00 176.35 175.19 2avg h LEU 34 N 2.10 0.03 -7.34 1.48 3.38 -1.98 -3.47 115.31 109.52 2avg h LEU 34 Ca -0.26 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 2avg h LEU 34 Cb 1.27 -0.01 -0.24 0.00 0.09 0.00 0.00 40.66 41.76 2avg h LEU 34 CO 0.32 1.03 -0.27 -1.59 0.09 0.00 0.00 178.44 178.02 2avg s LYS 35 N -2.69 0.44 0.32 1.13 0.00 -1.26 -5.10 119.74 112.59 2avg s LYS 35 Ca -0.00 0.54 -0.26 0.00 0.00 0.00 0.00 55.97 56.25 2avg s LYS 35 Cb 0.09 0.20 -0.14 0.00 0.00 0.00 0.00 37.83 37.99 2avg s LYS 35 CO 0.82 -0.06 0.79 -2.30 0.00 0.00 0.00 175.35 174.61 2avg n PRO 36 N 2.96 0.89 -1.87 1.78 -0.02 -1.26 -4.55 135.00 132.94 2avg n PRO 36 Ca -0.14 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 2avg n PRO 36 Cb 0.57 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2avg n PRO 36 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2avg s PRO 37 N -1.50 4.19 -0.49 0.52 0.02 -1.26 -4.93 135.00 131.55 2avg s PRO 37 Ca 0.61 2.44 -0.15 0.00 0.02 0.00 0.00 61.00 63.92 2avg s PRO 37 Cb -0.70 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 30.78 2avg s PRO 37 CO 0.58 -0.65 0.41 0.08 -0.33 0.00 0.00 177.00 177.10 2avg s VAL 38 N 1.12 5.21 -0.31 3.83 1.01 -0.98 -4.93 120.40 125.35 2avg s VAL 38 Ca 0.71 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2avg s VAL 38 Cb -0.46 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2avg s VAL 38 CO 0.32 -0.64 0.10 -0.69 0.00 0.00 0.00 175.10 174.19 2avg s VAL 39 N 1.63 4.07 -0.29 2.92 1.01 -1.26 0.56 120.40 129.04 2avg s VAL 39 Ca 0.04 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 2avg s VAL 39 Cb -0.25 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2avg s VAL 39 CO 0.06 0.02 0.27 -1.59 0.00 0.00 0.00 175.10 173.86 2avg s LYS 40 N 1.51 3.88 0.11 2.72 0.00 -0.66 -4.95 119.74 122.35 2avg s LYS 40 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 55.97 55.51 2avg s LYS 40 Cb -0.18 -3.69 -0.07 0.00 0.00 0.00 0.00 37.83 33.89 2avg s LYS 40 CO 0.03 -0.27 0.68 -1.58 0.00 0.00 0.00 175.35 174.21 2avg s TRP 41 N 1.88 3.84 0.18 1.78 0.52 -1.26 -2.09 118.94 123.79 2avg s TRP 41 Ca 0.10 1.44 0.10 0.00 0.02 0.00 0.00 56.10 57.76 2avg s TRP 41 Cb -0.16 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2avg s TRP 41 CO 0.11 0.52 -0.18 0.12 0.02 0.00 0.00 176.95 177.53 2avg s PHE 42 N -0.99 2.45 0.34 -1.98 5.36 0.12 -4.13 117.98 119.16 2avg s PHE 42 Ca 0.33 -0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.07 2avg s PHE 42 Cb -0.21 -1.22 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 2avg s PHE 42 CO 0.22 0.49 0.29 0.21 -1.46 0.00 0.00 175.22 174.97 2avg s LYS 43 N -2.66 2.68 0.26 10.12 2.47 0.93 -1.81 119.74 131.74 2avg s LYS 43 Ca 0.22 -1.33 -0.07 0.00 -1.56 0.00 0.00 55.97 53.23 2avg s LYS 43 Cb -0.09 -2.45 -0.05 0.00 -1.46 0.00 0.00 37.83 33.79 2avg s LYS 43 CO 0.12 0.07 -0.37 0.41 0.16 0.00 0.00 175.35 175.73 2avg n GLY 44 N -1.38 -0.84 0.00 5.54 0.00 -1.23 -3.76 105.19 103.52 2avg n GLY 44 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2avg n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2avg n LYS 45 N 0.64 0.00 0.00 1.61 2.85 -0.31 -0.68 118.16 122.27 2avg n LYS 45 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2avg n LYS 45 Cb 0.19 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2avg n TRP 46 N -0.48 0.00 -2.97 5.58 4.27 -1.25 -4.93 117.44 117.66 2avg n TRP 46 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2avg n TRP 46 Cb 0.00 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 29.97 2avg n TRP 46 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 2avg s VAL 47 N 0.00 3.63 0.18 -1.67 -7.23 0.15 -4.93 120.40 110.53 2avg s VAL 47 Ca 0.00 -0.64 0.09 0.00 -1.81 0.00 0.00 61.98 59.62 2avg s VAL 47 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2avg s VAL 47 CO 0.00 -0.21 -0.07 1.51 -0.31 0.00 0.00 175.10 176.02 2avg s ASP 48 N -4.27 4.37 0.06 4.85 -4.77 -1.26 -0.05 116.67 115.61 2avg s ASP 48 Ca 0.50 -0.55 0.19 0.00 -3.30 0.00 0.00 52.55 49.40 2avg s ASP 48 Cb -0.10 -0.78 -0.14 0.00 -1.09 0.00 0.00 42.92 40.81 2avg s ASP 48 CO 0.37 0.09 0.77 0.18 0.70 0.00 0.00 175.17 177.28 2avg n LEU 49 N -0.05 0.66 0.32 2.11 4.32 -1.26 -4.08 117.00 119.02 2avg n LEU 49 Ca -0.10 0.28 0.20 0.00 -0.02 0.00 0.00 56.01 56.37 2avg n LEU 49 Cb 0.56 0.06 1.08 0.00 -1.62 0.00 0.00 43.42 43.50 2avg n LEU 49 CO 0.36 0.06 1.15 -1.28 -1.22 0.00 0.00 177.39 176.46 2avg h SER 50 N 0.00 0.00 0.00 -1.43 0.87 -1.96 -0.80 113.55 110.23 2avg h SER 50 Ca -0.13 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.06 2avg h SER 50 Cb 1.40 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.29 2avg h SER 50 CO 0.03 0.01 -2.39 -1.20 -0.53 0.00 0.00 176.83 172.74 2avg n SER 51 N -3.30 2.07 0.00 6.23 7.64 -1.26 -4.83 113.62 120.16 2avg n SER 51 Ca -0.03 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2avg n SER 51 Cb 0.10 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 -3.36 0.00 -0.24 1.43 4.01 -0.38 -4.90 118.16 114.72 2avg n LYS 52 Ca -0.44 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 2avg n LYS 52 Cb 0.94 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 34.58 2avg n LYS 52 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2avg n VAL 53 N -1.16 0.00 0.00 -0.18 0.31 -0.74 -4.80 118.33 111.75 2avg n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2avg n VAL 53 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.14 3.57 0.30 2.92 0.00 0.42 -4.86 105.19 107.68 2avg n GLY 54 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2avg n GLY 54 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2avg h GLN 55 N 0.00 1.01 0.07 1.61 7.50 -1.96 -3.01 115.11 120.33 2avg h GLN 55 Ca 0.00 -0.06 -0.36 0.00 0.50 0.00 0.00 58.65 58.73 2avg h GLN 55 Cb 0.00 -0.23 -0.04 0.00 0.05 0.00 0.00 27.48 27.27 2avg h GLN 55 CO 0.00 0.67 -2.09 -2.39 -1.50 0.00 0.00 178.83 173.52 2avg n HIS 56 N -4.55 0.88 -4.02 2.96 1.44 -1.26 -4.72 115.22 105.94 2avg n HIS 56 Ca 0.08 0.21 -0.31 0.00 -2.01 0.00 0.00 57.72 55.68 2avg n HIS 56 Cb 0.03 -1.12 -0.15 0.00 0.12 0.00 0.00 29.99 28.86 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 -6.71 3.81 -0.37 2.39 1.98 -1.21 0.32 118.68 118.89 2avg s LEU 57 Ca -0.22 -1.68 -0.14 0.00 -2.89 0.00 0.00 54.13 49.20 2avg s LEU 57 Cb 0.07 -1.51 -0.00 0.00 0.66 0.00 0.00 46.19 45.41 2avg s LEU 57 CO 0.74 -0.28 0.29 -1.10 -1.89 0.00 0.00 176.35 174.11 2avg s GLN 58 N 1.08 3.30 -0.77 1.98 1.11 0.82 0.16 119.66 127.33 2avg s GLN 58 Ca -0.00 -0.75 -0.18 0.00 0.01 0.00 0.00 55.36 54.43 2avg s GLN 58 Cb -0.19 -3.88 0.13 0.00 -1.01 0.00 0.00 33.01 28.06 2avg s GLN 58 CO -0.07 -0.59 0.90 -1.17 0.01 0.00 0.00 175.29 174.37 2avg s LEU 59 N 1.77 5.40 0.39 2.90 0.20 -1.26 0.31 118.68 128.40 2avg s LEU 59 Ca 0.07 -1.84 0.03 0.00 0.69 0.00 0.00 54.13 53.08 2avg s LEU 59 Cb -0.18 -2.33 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 2avg s LEU 59 CO 0.11 -1.03 0.57 -1.00 -0.29 0.00 0.00 176.35 174.71 2avg s HIS 60 N 2.38 3.18 -0.06 5.38 3.76 0.12 -4.93 115.29 125.12 2avg s HIS 60 Ca 0.22 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2avg s HIS 60 Cb -0.14 -2.15 0.03 0.00 1.11 0.00 0.00 32.58 31.43 2avg s HIS 60 CO -0.02 -0.19 0.02 0.16 -0.85 0.00 0.00 174.74 173.87 2avg s ASP 61 N -4.19 1.31 -0.22 1.40 -4.77 -1.26 -0.22 116.67 108.73 2avg s ASP 61 Ca 0.46 -0.02 0.01 0.00 -3.30 0.00 0.00 52.55 49.71 2avg s ASP 61 Cb -0.10 -0.31 0.03 0.00 -1.09 0.00 0.00 42.92 41.46 2avg s ASP 61 CO 0.35 -0.21 -0.15 -0.44 0.70 0.00 0.00 175.17 175.42 2avg s SER 62 N 1.96 3.74 -0.28 2.11 0.01 0.31 -4.94 113.70 116.60 2avg s SER 62 Ca 0.04 -0.92 0.03 0.00 1.31 0.00 0.00 55.95 56.40 2avg s SER 62 Cb -0.12 -1.53 0.07 0.00 0.21 0.00 0.00 66.02 64.65 2avg s SER 62 CO -0.04 -0.08 -0.05 -0.72 0.41 0.00 0.00 173.24 172.76 2avg s TYR 63 N 1.23 3.23 -0.45 2.43 -0.85 -1.26 0.19 117.35 121.87 2avg s TYR 63 Ca -0.00 -2.41 -0.10 0.00 -0.52 0.00 0.00 57.07 54.04 2avg s TYR 63 Cb -0.16 -2.15 0.10 0.00 0.38 0.00 0.00 41.96 40.14 2avg s TYR 63 CO -0.09 -0.88 0.32 0.16 -1.52 0.00 0.00 175.55 173.54 2avg s ASP 64 N 1.11 5.72 0.38 -0.18 -4.77 0.14 -4.94 116.67 114.12 2avg s ASP 64 Ca -0.02 -1.72 0.12 0.00 -3.30 0.00 0.00 52.55 47.63 2avg s ASP 64 Cb -0.19 -2.02 0.75 0.00 -1.09 0.00 0.00 42.92 40.36 2avg s ASP 64 CO -0.07 -0.64 1.85 -0.09 0.70 0.00 0.00 175.17 176.92 2avg h ARG 65 N 8.47 0.03 0.00 2.11 1.12 -1.95 0.27 114.38 124.42 2avg h ARG 65 Ca -0.23 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 2avg h ARG 65 Cb 1.08 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 2avg h ARG 65 CO 0.83 0.36 0.00 0.00 -3.11 0.00 0.00 179.97 178.05 2avg n ALA 66 N -2.48 2.06 0.38 2.80 0.00 -1.26 -1.57 120.51 120.44 2avg n ALA 66 Ca -0.02 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2avg n ALA 66 Cb 0.38 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 2avg n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2avg n SER 67 N -1.87 0.58 -1.47 0.00 7.64 -0.25 -4.98 113.62 113.27 2avg n SER 67 Ca 0.05 -0.40 -0.12 0.00 1.01 0.00 0.00 58.87 59.41 2avg n SER 67 Cb 0.31 1.55 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 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 -1.90 -1.38 -4.33 1.43 3.00 0.77 -4.95 118.16 110.80 2avg n LYS 68 Ca -0.01 0.57 -0.20 0.00 -0.00 0.00 0.00 58.31 58.67 2avg n LYS 68 Cb 0.44 -4.71 -0.16 0.00 0.00 0.00 0.00 35.03 30.60 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 -2.67 0.71 -0.36 3.15 1.01 -0.79 0.28 120.40 121.74 2avg s VAL 69 Ca 0.04 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2avg s VAL 69 Cb -0.02 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2avg s VAL 69 CO 0.05 0.23 0.20 -0.31 0.00 0.00 0.00 175.10 175.27 2avg s TYR 70 N 0.37 3.23 -0.51 5.22 1.51 0.20 -0.68 117.35 126.68 2avg s TYR 70 Ca -0.06 -0.85 -0.19 0.00 -1.01 0.00 0.00 57.07 54.96 2avg s TYR 70 Cb -0.10 -2.42 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 2avg s TYR 70 CO 0.01 -0.60 0.63 -1.17 -1.11 0.00 0.00 175.55 173.30 2avg s LEU 71 N 1.57 5.02 -0.38 -1.29 2.96 0.52 -1.09 118.68 125.99 2avg s LEU 71 Ca 0.03 -0.97 -0.24 0.00 -0.22 0.00 0.00 54.13 52.73 2avg s LEU 71 Cb -0.19 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2avg s LEU 71 CO 0.07 -0.91 0.81 -0.36 -1.32 0.00 0.00 176.35 174.65 2avg s PHE 72 N 2.61 3.09 -0.14 5.38 0.40 -0.01 0.11 117.98 129.42 2avg s PHE 72 Ca 0.14 0.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.03 2avg s PHE 72 Cb -0.20 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 39.86 2avg s PHE 72 CO 0.11 -0.79 -0.16 -1.83 0.70 0.00 0.00 175.22 173.26 2avg s GLU 73 N 3.21 2.39 -0.08 0.44 -1.05 0.70 0.13 118.70 124.44 2avg s GLU 73 Ca 0.33 -0.61 -0.17 0.00 -0.15 0.00 0.00 54.97 54.37 2avg s GLU 73 Cb -0.13 -2.11 -0.05 0.00 -0.44 0.00 0.00 34.13 31.40 2avg s GLU 73 CO 0.18 -0.17 0.46 -0.51 0.95 0.00 0.00 175.26 176.18 2avg s LEU 74 N 1.27 4.34 -0.43 1.83 1.43 0.31 -0.71 118.68 126.73 2avg s LEU 74 Ca 0.01 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2avg s LEU 74 Cb -0.14 -2.67 0.11 0.00 0.03 0.00 0.00 46.19 43.52 2avg s LEU 74 CO -0.08 0.10 0.21 -1.00 0.23 0.00 0.00 176.35 175.81 2avg s HIS 75 N 0.11 3.59 -0.33 0.29 3.76 0.15 -1.96 115.29 120.89 2avg s HIS 75 Ca 0.25 -2.57 0.02 0.00 -0.15 0.00 0.00 55.06 52.62 2avg s HIS 75 Cb -0.16 -3.16 0.10 0.00 1.11 0.00 0.00 32.58 30.47 2avg s HIS 75 CO 0.11 -0.95 0.06 0.42 -0.85 0.00 0.00 174.74 173.54 2avg s ILE 76 N 0.92 1.74 0.35 0.60 1.01 -0.84 -0.13 121.20 124.86 2avg s ILE 76 Ca 0.10 -1.97 0.07 0.00 0.00 0.00 0.00 60.65 58.85 2avg s ILE 76 Cb -0.22 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 2avg s ILE 76 CO -0.05 -0.62 0.42 0.42 0.00 0.00 0.00 174.94 175.12 2avg s THR 77 N 1.18 3.70 -0.57 2.92 -4.23 0.15 -0.27 115.64 118.52 2avg s THR 77 Ca 0.10 -1.13 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 2avg s THR 77 Cb -0.18 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.41 2avg s THR 77 CO -0.14 -0.13 0.64 0.47 -0.54 0.00 0.00 174.62 174.91 2avg n ASP 78 N -1.58 -6.75 -4.59 3.99 9.92 0.20 -4.62 116.55 113.11 2avg n ASP 78 Ca 0.01 -0.03 -0.42 0.00 -0.53 0.00 0.00 54.79 53.81 2avg n ASP 78 Cb 0.59 -3.75 -0.02 0.00 -0.64 0.00 0.00 41.12 37.29 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 -2.45 2.98 0.42 2.24 0.00 -1.26 -4.82 121.76 118.87 2avg s ALA 79 Ca 0.19 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2avg s ALA 79 Cb -0.04 -3.99 -0.10 0.00 0.00 0.00 0.00 23.12 18.99 2avg s ALA 79 CO 0.82 -2.57 1.11 0.94 0.00 0.00 0.00 175.76 176.05 2avg n GLN 80 N 8.26 1.54 0.00 0.00 7.27 -1.26 -3.39 117.38 129.79 2avg n GLN 80 Ca 0.14 0.55 0.01 0.00 0.07 0.00 0.00 57.00 57.77 2avg n GLN 80 Cb 0.49 -2.17 0.04 0.00 2.41 0.00 0.00 30.24 31.01 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 0.07 0.01 -0.34 3.69 -0.04 -1.26 -0.40 135.00 136.73 2avg n PRO 81 Ca 0.09 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 2avg n PRO 81 Cb 0.39 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.42 2.49 1.08 0.55 0.00 -1.26 -4.36 120.51 117.58 2avg n ALA 82 Ca 0.01 -1.40 0.12 0.00 0.00 0.00 0.00 53.44 52.16 2avg n ALA 82 Cb 0.02 -0.69 0.11 0.00 0.00 0.00 0.00 19.45 18.89 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 0.78 0.00 0.00 0.00 3.72 0.47 -4.47 117.46 117.95 2avg n PHE 83 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2avg n PHE 83 Cb 0.61 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.09 0.00 -1.48 4.37 -1.04 -1.25 -3.12 114.28 111.84 2avg n THR 84 Ca 0.11 0.00 -0.63 0.00 -2.04 0.00 0.00 64.05 61.49 2avg n THR 84 Cb 0.46 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.86 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 0.00 0.04 2.49 3.41 0.00 0.46 -1.17 105.19 110.42 2avg n GLY 85 Ca 0.00 1.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.86 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 5.90 4.39 3.59 -0.02 0.00 -1.09 -2.03 105.19 115.94 2avg n GLY 86 Ca 0.44 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 2.53 -0.33 1.61 1.51 0.07 -3.57 117.35 116.38 2avg s TYR 87 Ca 0.43 0.58 -0.09 0.00 -1.01 0.00 0.00 57.07 56.98 2avg s TYR 87 Cb 0.31 -4.42 0.02 0.00 -0.11 0.00 0.00 41.96 37.76 2avg s TYR 87 CO -0.10 -1.70 0.15 0.50 -1.11 0.00 0.00 175.55 173.29 2avg s ARG 88 N 4.95 2.97 -0.30 -0.62 6.06 -0.75 -1.66 118.95 129.60 2avg s ARG 88 Ca 0.51 -0.96 -0.12 0.00 -2.50 0.00 0.00 55.73 52.66 2avg s ARG 88 Cb -0.10 -3.56 -0.04 0.00 0.06 0.00 0.00 34.95 31.31 2avg s ARG 88 CO 0.29 -0.57 0.22 0.00 -2.50 0.00 0.00 175.30 172.75 2avg s GLU 90 N 1.77 1.46 -0.04 0.00 2.02 -0.89 -0.02 118.70 123.00 2avg s GLU 90 Ca 0.07 -0.44 -0.12 0.00 0.02 0.00 0.00 54.97 54.49 2avg s GLU 90 Cb -0.16 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 2avg s GLU 90 CO 0.11 -0.39 0.32 0.54 0.02 0.00 0.00 175.26 175.87 2avg s VAL 91 N 1.65 5.18 -0.21 2.63 0.11 -0.00 -1.65 120.40 128.11 2avg s VAL 91 Ca 0.02 0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2avg s VAL 91 Cb -0.14 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.16 2avg s VAL 91 CO -0.08 0.59 0.05 -0.44 -3.33 0.00 0.00 175.10 171.88 2avg s SER 92 N -1.02 3.07 0.29 3.54 0.01 0.19 -3.06 113.70 116.72 2avg s SER 92 Ca 0.21 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.56 2avg s SER 92 Cb -0.15 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 2avg s SER 92 CO 0.10 -0.32 0.11 0.41 0.41 0.00 0.00 173.24 173.95 2avg n THR 93 N 5.03 0.00 0.00 1.44 -1.04 -0.89 -2.31 114.28 116.52 2avg n THR 93 Ca -0.08 -1.69 0.00 0.00 -2.04 0.00 0.00 64.05 60.24 2avg n THR 93 Cb 0.46 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 2avg n THR 93 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2avg n LYS 94 N -0.64 0.00 0.00 -2.82 -0.00 -1.26 -2.64 118.16 110.80 2avg n LYS 94 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2avg n LYS 94 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.46 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 -2.06 0.00 -4.87 -5.58 2.03 -1.26 -4.99 116.55 99.82 2avg n ASP 95 Ca 0.00 -1.00 -0.34 0.00 0.52 0.00 0.00 54.79 53.97 2avg n ASP 95 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 3.36 -0.02 -0.67 1.02 -1.08 -1.39 119.74 120.97 2avg s LYS 96 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.68 2avg s LYS 96 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 2avg s LYS 96 CO 0.00 0.68 -0.06 0.12 -0.92 0.00 0.00 175.35 175.17 2avg s PHE 97 N -1.26 0.64 0.04 3.18 5.36 -1.26 -2.09 117.98 122.59 2avg s PHE 97 Ca 0.25 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.88 2avg s PHE 97 Cb -0.12 -0.47 0.05 0.00 -0.34 0.00 0.00 43.02 42.13 2avg s PHE 97 CO 0.16 -0.06 0.48 -0.51 -1.46 0.00 0.00 175.22 173.82 2avg s ASP 98 N 0.18 -0.38 0.04 6.13 1.01 -1.17 -4.95 116.67 117.52 2avg s ASP 98 Ca -0.02 0.11 -0.22 0.00 0.71 0.00 0.00 52.55 53.13 2avg s ASP 98 Cb -0.06 0.46 0.05 0.00 1.01 0.00 0.00 42.92 44.38 2avg s ASP 98 CO -0.00 -0.70 0.50 0.00 0.21 0.00 0.00 175.17 175.19 2avg s SER 100 N -1.93 1.41 0.04 0.00 1.04 0.96 -4.99 113.70 110.23 2avg s SER 100 Ca -0.06 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 2avg s SER 100 Cb -0.01 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 2avg s SER 100 CO -0.01 -0.06 0.32 0.54 0.98 0.00 0.00 173.24 175.01 2avg s ASN 101 N -1.38 6.56 -0.26 7.02 4.22 -1.26 -1.93 114.94 127.91 2avg s ASN 101 Ca -0.02 0.65 -0.03 0.00 -2.14 0.00 0.00 52.86 51.32 2avg s ASN 101 Cb -0.09 -2.13 0.09 0.00 1.28 0.00 0.00 41.25 40.40 2avg s ASN 101 CO 0.01 0.22 0.10 -0.36 -2.04 0.00 0.00 177.10 175.04 2avg s PHE 102 N -1.33 0.65 -0.36 1.54 0.08 -0.66 -4.37 117.98 113.52 2avg s PHE 102 Ca 0.30 -0.92 -0.10 0.00 0.12 0.00 0.00 56.93 56.33 2avg s PHE 102 Cb -0.14 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 2avg s PHE 102 CO 0.17 -0.74 0.18 0.54 -0.10 0.00 0.00 175.22 175.27 2avg s ASN 103 N 1.98 5.61 -0.46 1.36 4.22 -1.24 -0.75 114.94 125.67 2avg s ASN 103 Ca 0.06 -1.00 -0.17 0.00 -2.14 0.00 0.00 52.86 49.62 2avg s ASN 103 Cb -0.16 -1.98 0.05 0.00 1.28 0.00 0.00 41.25 40.43 2avg s ASN 103 CO -0.25 -0.36 0.44 -0.22 -2.04 0.00 0.00 177.10 174.68 2avg s LEU 104 N 1.52 5.24 -0.80 3.54 2.96 -0.86 -1.31 118.68 128.97 2avg s LEU 104 Ca 0.01 -1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.65 2avg s LEU 104 Cb -0.19 -2.28 0.06 0.00 0.50 0.00 0.00 46.19 44.28 2avg s LEU 104 CO 0.06 -0.66 1.20 -0.89 -1.32 0.00 0.00 176.35 174.73 2avg s THR 105 N 1.97 4.08 -0.42 3.68 2.01 0.27 0.17 115.64 127.41 2avg s THR 105 Ca 0.08 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 2avg s THR 105 Cb -0.21 -4.86 0.02 0.00 0.01 0.00 0.00 72.50 67.47 2avg s THR 105 CO 0.10 -1.71 1.09 0.54 -0.69 0.00 0.00 174.62 173.95 2avg s VAL 106 N 4.66 4.35 -0.74 3.82 0.11 -1.24 -0.79 120.40 130.57 2avg s VAL 106 Ca 0.33 1.36 -0.27 0.00 -2.93 0.00 0.00 61.98 60.47 2avg s VAL 106 Cb -0.09 -4.51 0.03 0.00 -1.53 0.00 0.00 36.38 30.28 2avg s VAL 106 CO 0.05 -0.79 1.27 -1.00 -3.33 0.00 0.00 175.10 171.30 2avg s HIS 107 N 4.08 2.31 -0.04 1.54 3.76 0.34 -4.78 115.29 122.50 2avg s HIS 107 Ca 0.46 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.97 2avg s HIS 107 Cb -0.09 -4.61 -0.04 0.00 1.11 0.00 0.00 32.58 28.95 2avg s HIS 107 CO 0.25 -2.05 1.25 -2.00 -0.85 0.00 0.00 174.74 171.33 2avg s GLU 108 N 5.63 4.34 0.19 1.40 2.12 -1.26 -0.66 118.70 130.45 2avg s GLU 108 Ca 0.35 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.42 2avg s GLU 108 Cb -0.08 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2avg s GLU 108 CO 0.14 -0.47 0.00 0.00 -0.54 0.00 0.00 175.26 174.39 2avg n ALA 109 N 5.21 3.00 -0.51 6.30 0.00 -1.26 -5.00 120.51 128.25 2avg n ALA 109 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2avg n ALA 109 Cb 0.46 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17