#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 2.18 -1.29 1.67 1.01 -1.26 -4.94 116.67 114.04 2avg s ASP 2 Ca 0.00 -1.53 -0.18 0.00 0.71 0.00 0.00 52.55 51.55 2avg s ASP 2 Cb 0.00 0.27 0.03 0.00 1.01 0.00 0.00 42.92 44.23 2avg s ASP 2 CO 0.00 -0.81 1.89 -2.65 0.21 0.00 0.00 175.17 173.81 2avg n PRO 3 N -0.72 2.80 -0.06 8.23 -0.02 -1.26 -4.53 135.00 139.44 2avg n PRO 3 Ca -0.03 -2.92 -0.05 0.00 -2.02 0.00 0.00 63.50 58.48 2avg n PRO 3 Cb 0.66 -3.45 -0.02 0.00 -0.02 0.00 0.00 33.50 30.67 2avg n PRO 3 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2avg n ILE 4 N 6.27 1.07 0.00 4.25 -0.00 -1.26 -5.03 119.36 124.65 2avg n ILE 4 Ca 0.49 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 63.51 2avg n ILE 4 Cb 0.44 -2.15 0.00 0.00 -0.00 0.00 0.00 39.64 37.93 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 1.58 1.73 0.33 7.39 0.00 -1.26 -4.97 105.19 109.99 2avg n GLY 5 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.18 -7.78 0.99 5.85 -1.93 -2.96 115.31 109.30 2avg h LEU 6 Ca 0.00 0.26 -0.74 0.00 0.84 0.00 0.00 57.88 58.24 2avg h LEU 6 Cb 0.00 0.39 -0.21 0.00 0.37 0.00 0.00 40.66 41.21 2avg h LEU 6 CO 0.00 -0.35 0.86 -0.36 -0.34 0.00 0.00 178.44 178.25 2avg s PHE 7 N -5.86 3.57 0.16 1.25 0.40 -1.26 -1.60 117.98 114.64 2avg s PHE 7 Ca -0.12 -2.01 0.02 0.00 -0.60 0.00 0.00 56.93 54.23 2avg s PHE 7 Cb 0.30 -4.15 -0.02 0.00 0.51 0.00 0.00 43.02 39.66 2avg s PHE 7 CO 0.78 -1.28 1.36 0.28 0.70 0.00 0.00 175.22 177.06 2avg h VAL 8 N 4.83 1.49 -1.60 -0.44 2.07 -1.05 -3.46 116.25 118.09 2avg h VAL 8 Ca 0.22 -2.62 0.07 0.00 0.82 0.00 0.00 66.70 65.19 2avg h VAL 8 Cb 0.94 2.47 -0.26 0.00 -1.52 0.00 0.00 31.29 32.92 2avg h VAL 8 CO 1.09 0.76 0.42 -0.32 0.02 0.00 0.00 177.57 179.55 2avg s MET 9 N -3.20 0.49 0.06 1.57 -2.45 -1.13 -4.95 119.30 109.69 2avg s MET 9 Ca -0.03 0.64 0.02 0.00 -1.25 0.00 0.00 55.69 55.07 2avg s MET 9 Cb 0.10 0.20 -0.04 0.00 1.25 0.00 0.00 34.83 36.34 2avg s MET 9 CO 0.83 -0.07 0.07 -0.98 1.05 0.00 0.00 175.02 175.92 2avg s ARG 10 N 0.53 2.89 0.71 4.11 1.70 -1.26 -0.54 118.95 127.09 2avg s ARG 10 Ca -0.00 -0.66 -0.11 0.00 -0.47 0.00 0.00 55.73 54.49 2avg s ARG 10 Cb -0.05 -2.74 0.02 0.00 -0.57 0.00 0.00 34.95 31.62 2avg s ARG 10 CO -0.09 0.58 1.10 -1.25 -1.08 0.00 0.00 175.30 174.56 2avg s PRO 11 N -2.20 2.78 0.49 3.89 0.04 -0.93 -4.90 135.00 134.17 2avg s PRO 11 Ca 0.27 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.81 2avg s PRO 11 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2avg s PRO 11 CO 0.19 -1.09 0.05 -0.65 0.04 0.00 0.00 177.00 175.54 2avg s GLN 12 N -5.34 2.13 0.00 4.56 -1.52 -1.26 -4.68 119.66 113.56 2avg s GLN 12 Ca 0.58 -2.36 0.00 0.00 -1.95 0.00 0.00 55.36 51.64 2avg s GLN 12 Cb -0.11 -1.18 0.00 0.00 -0.22 0.00 0.00 33.01 31.50 2avg s GLN 12 CO 0.52 -0.44 0.00 -0.25 -0.25 0.00 0.00 175.29 174.87 2avg n ASP 13 N -1.34 0.00 0.00 5.90 8.00 -1.26 -4.57 116.55 123.28 2avg n ASP 13 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2avg n ASP 13 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 3.80 3.29 0.44 0.00 -0.11 -4.80 105.19 110.10 2avg n GLY 14 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.76 2.94 0.15 1.61 2.02 -1.26 -0.03 118.70 122.38 2avg s GLU 15 Ca 0.00 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2avg s GLU 15 Cb 0.00 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 2avg s GLU 15 CO 0.00 -0.46 -0.03 0.14 0.02 0.00 0.00 175.26 174.93 2avg s VAL 16 N 1.43 0.76 0.22 2.63 -7.23 -0.10 -4.93 120.40 113.18 2avg s VAL 16 Ca 0.01 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2avg s VAL 16 Cb -0.17 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2avg s VAL 16 CO 0.01 -0.61 0.45 -0.89 -0.31 0.00 0.00 175.10 173.75 2avg s THR 17 N -3.59 5.12 -0.47 5.32 2.01 -1.26 0.12 115.64 122.89 2avg s THR 17 Ca 0.20 -0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 2avg s THR 17 Cb 0.05 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 2avg s THR 17 CO 0.01 -0.16 1.82 -0.69 -0.69 0.00 0.00 174.62 174.92 2avg s VAL 18 N -1.88 3.43 0.00 3.82 1.01 -0.53 -1.59 120.40 124.66 2avg s VAL 18 Ca 0.41 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2avg s VAL 18 Cb -0.11 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2avg s VAL 18 CO 0.28 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.34 2avg n GLY 19 N 5.55 1.36 0.00 4.51 0.00 -1.25 -4.98 105.19 110.38 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 0.65 3.56 -0.02 0.00 -0.62 -4.77 105.19 103.98 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 -0.70 -0.09 -0.01 1.61 1.04 -1.26 0.52 113.70 114.81 2avg s SER 21 Ca 0.00 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 2avg s SER 21 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2avg s SER 21 CO 0.00 -1.11 0.26 -0.51 0.98 0.00 0.00 173.24 172.86 2avg s ILE 22 N -4.01 0.06 -0.02 -1.02 1.10 0.10 -4.79 121.20 112.63 2avg s ILE 22 Ca 0.22 -0.54 -0.00 0.00 -0.51 0.00 0.00 60.65 59.82 2avg s ILE 22 Cb -0.00 -0.56 0.03 0.00 0.15 0.00 0.00 42.46 42.07 2avg s ILE 22 CO 0.08 -0.29 0.03 -0.89 -2.11 0.00 0.00 174.94 171.75 2avg s THR 23 N -1.35 -0.05 0.06 4.00 2.01 -1.26 -1.93 115.64 117.12 2avg s THR 23 Ca -0.14 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2avg s THR 23 Cb -0.06 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 2avg s THR 23 CO 0.03 0.08 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 0.92 1.31 -0.03 4.92 0.08 -1.16 -4.81 117.98 119.22 2avg s PHE 24 Ca -0.08 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2avg s PHE 24 Cb -0.11 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2avg s PHE 24 CO -0.03 0.07 0.04 -1.12 -0.10 0.00 0.00 175.22 174.08 2avg s SER 25 N -1.49 0.35 -0.18 1.36 0.01 -1.26 0.65 113.70 113.14 2avg s SER 25 Ca 0.01 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2avg s SER 25 Cb -0.09 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.09 2avg s SER 25 CO 0.02 -0.16 -0.14 0.00 0.41 0.00 0.00 173.24 173.37 2avg s ALA 26 N 1.37 2.07 -0.26 1.44 0.00 0.20 -2.19 121.76 124.39 2avg s ALA 26 Ca -0.05 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 2avg s ALA 26 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2avg s ALA 26 CO -0.03 -0.60 0.14 1.03 0.00 0.00 0.00 175.76 176.30 2avg s ARG 27 N 1.38 3.89 -0.09 0.00 0.52 0.30 -0.07 118.95 124.89 2avg s ARG 27 Ca 0.02 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2avg s ARG 27 Cb -0.15 -3.50 0.01 0.00 0.52 0.00 0.00 34.95 31.83 2avg s ARG 27 CO -0.10 -0.10 -0.15 0.08 0.02 0.00 0.00 175.30 175.05 2avg s VAL 28 N 1.47 1.41 -0.36 3.52 1.01 -0.64 -1.41 120.40 125.41 2avg s VAL 28 Ca 0.07 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 2avg s VAL 28 Cb -0.15 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2avg s VAL 28 CO 0.07 0.42 2.24 0.00 0.00 0.00 0.00 175.10 177.83 2avg s ALA 29 N 0.72 2.25 0.35 5.51 0.00 -0.63 0.18 121.76 130.15 2avg s ALA 29 Ca -0.13 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2avg s ALA 29 Cb -0.16 -4.20 0.65 0.00 0.00 0.00 0.00 23.12 19.42 2avg s ALA 29 CO 0.03 -3.53 2.01 0.78 0.00 0.00 0.00 175.76 175.04 2avg h GLY 30 N 16.91 0.90 0.00 0.00 0.00 0.38 -3.42 103.07 117.84 2avg h GLY 30 Ca -0.33 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2avg h GLY 30 CO 1.06 0.31 0.00 0.00 0.00 0.00 0.00 176.54 177.92 2avg n ALA 31 N -2.44 0.00 -1.62 3.60 0.00 -1.25 -4.29 120.51 114.50 2avg n ALA 31 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2avg n ALA 31 Cb 0.06 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.70 2avg n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2avg n SER 32 N -3.12 2.19 -3.19 0.00 2.88 -1.26 -5.02 113.62 106.10 2avg n SER 32 Ca 0.00 -3.88 -0.14 0.00 -1.33 0.00 0.00 58.87 53.52 2avg n SER 32 Cb 0.00 -0.53 0.14 0.00 -0.75 0.00 0.00 64.21 63.07 2avg n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2avg n LEU 33 N -1.08 0.00 0.10 2.46 -0.00 -1.26 -4.97 117.00 112.26 2avg n LEU 33 Ca 0.24 -0.41 -0.12 0.00 -0.00 0.00 0.00 56.01 55.71 2avg n LEU 33 Cb 0.77 -0.52 -0.08 0.00 -0.00 0.00 0.00 43.42 43.58 2avg n LEU 33 CO 0.04 -2.16 0.51 0.25 -0.00 0.00 0.00 177.39 176.04 2avg h LEU 34 N 0.00 -0.25 -7.90 1.47 5.85 -1.95 -3.45 115.31 109.07 2avg h LEU 34 Ca -0.19 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.08 2avg h LEU 34 Cb 0.63 0.07 -0.23 0.00 0.37 0.00 0.00 40.66 41.49 2avg h LEU 34 CO 0.11 0.18 -0.71 -1.59 -0.34 0.00 0.00 178.44 176.09 2avg s LYS 35 N -4.24 0.21 0.24 1.25 0.00 -1.26 -5.08 119.74 110.85 2avg s LYS 35 Ca -0.14 -0.40 -0.28 0.00 0.00 0.00 0.00 55.97 55.15 2avg s LYS 35 Cb 0.02 0.06 -0.16 0.00 0.00 0.00 0.00 37.83 37.75 2avg s LYS 35 CO 0.54 -0.03 0.65 -2.30 0.00 0.00 0.00 175.35 174.20 2avg n PRO 36 N 2.12 0.40 -1.65 1.78 -0.02 -1.26 -4.52 135.00 131.84 2avg n PRO 36 Ca -0.20 0.14 -0.45 0.00 -2.02 0.00 0.00 63.50 60.97 2avg n PRO 36 Cb 0.57 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.92 1.80 -3.25 0.52 -0.04 -1.26 -4.90 135.00 128.79 2avg n PRO 37 Ca 0.15 0.64 -0.44 0.00 -0.04 0.00 0.00 63.50 63.81 2avg n PRO 37 Cb 0.28 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.45 5.04 -0.30 0.52 1.01 -0.75 -4.92 120.40 120.54 2avg s VAL 38 Ca 0.65 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2avg s VAL 38 Cb -0.67 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.46 2avg s VAL 38 CO 0.54 -0.76 0.11 -0.69 0.00 0.00 0.00 175.10 174.30 2avg s VAL 39 N 2.17 4.20 -0.22 2.92 1.01 -1.26 0.42 120.40 129.63 2avg s VAL 39 Ca 0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2avg s VAL 39 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2avg s VAL 39 CO 0.08 0.05 0.09 -1.59 0.00 0.00 0.00 175.10 173.74 2avg s LYS 40 N 1.54 3.88 0.29 2.72 0.00 -0.49 -4.97 119.74 122.71 2avg s LYS 40 Ca 0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 55.97 55.48 2avg s LYS 40 Cb -0.17 -3.33 -0.09 0.00 0.00 0.00 0.00 37.83 34.24 2avg s LYS 40 CO 0.04 0.06 0.71 -1.58 0.00 0.00 0.00 175.35 174.58 2avg s TRP 41 N 0.97 3.42 -0.02 1.78 0.52 -1.26 -1.27 118.94 123.08 2avg s TRP 41 Ca 0.05 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.42 2avg s TRP 41 Cb -0.14 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2avg s TRP 41 CO 0.03 0.15 -0.19 0.12 0.02 0.00 0.00 176.95 177.09 2avg s PHE 42 N -1.89 1.73 0.45 -1.98 5.36 -0.67 -4.28 117.98 116.70 2avg s PHE 42 Ca 0.51 -0.38 0.08 0.00 -0.96 0.00 0.00 56.93 56.18 2avg s PHE 42 Cb -0.11 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.46 2avg s PHE 42 CO 0.18 -0.07 0.62 0.21 -1.46 0.00 0.00 175.22 174.70 2avg s LYS 43 N -0.30 2.73 0.00 10.12 2.20 0.15 -0.68 119.74 133.96 2avg s LYS 43 Ca 0.04 -1.25 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2avg s LYS 43 Cb -0.09 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 2avg s LYS 43 CO 0.00 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 2avg n GLY 44 N -1.95 0.00 0.00 5.54 0.00 -1.25 -3.39 105.19 104.14 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 1.17 0.00 0.00 0.00 173.32 174.49 2avg n LYS 45 N 0.00 0.00 0.00 1.61 4.81 0.17 -1.70 118.16 123.05 2avg n LYS 45 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2avg n LYS 45 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 -1.00 0.00 -3.09 5.64 4.27 -1.26 -4.82 117.44 117.18 2avg n TRP 46 Ca 0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 2avg n TRP 46 Cb 0.45 0.01 0.01 0.00 -1.36 0.00 0.00 31.31 30.43 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 3.84 0.18 -1.67 1.01 -0.69 -4.93 120.40 118.13 2avg s VAL 47 Ca 0.00 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2avg s VAL 47 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2avg s VAL 47 CO 0.00 -0.24 -0.09 1.51 0.00 0.00 0.00 175.10 176.29 2avg s ASP 48 N -4.23 4.30 -0.19 3.32 -4.77 -1.26 0.34 116.67 114.18 2avg s ASP 48 Ca 0.49 -0.56 0.13 0.00 -3.30 0.00 0.00 52.55 49.31 2avg s ASP 48 Cb -0.10 -0.75 -0.23 0.00 -1.09 0.00 0.00 42.92 40.75 2avg s ASP 48 CO 0.36 0.10 0.10 0.18 0.70 0.00 0.00 175.17 176.61 2avg n LEU 49 N 0.05 0.76 0.30 2.11 4.32 -1.26 -4.25 117.00 119.04 2avg n LEU 49 Ca -0.11 0.03 0.18 0.00 -0.02 0.00 0.00 56.01 56.09 2avg n LEU 49 Cb 0.55 0.14 1.01 0.00 -1.62 0.00 0.00 43.42 43.50 2avg n LEU 49 CO 0.35 0.58 1.15 -1.28 -1.22 0.00 0.00 177.39 176.97 2avg h SER 50 N 0.00 0.00 0.00 -1.43 0.87 -1.96 0.13 113.55 111.16 2avg h SER 50 Ca -0.52 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.80 2avg h SER 50 Cb 2.15 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 64.06 2avg h SER 50 CO 0.02 0.00 -2.11 -1.20 -0.53 0.00 0.00 176.83 173.01 2avg n SER 51 N -3.56 0.74 0.00 6.23 7.64 -1.26 -4.85 113.62 118.56 2avg n SER 51 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2avg n SER 51 Cb 0.11 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 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 -2.53 0.00 -0.49 1.43 4.01 0.41 -4.98 118.16 116.02 2avg n LYS 52 Ca -0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 2avg n LYS 52 Cb 0.93 -0.26 0.00 0.00 -0.51 0.00 0.00 35.03 35.19 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 -0.29 -0.12 0.00 -0.18 0.31 -0.93 -4.85 118.33 112.27 2avg n VAL 53 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2avg n VAL 53 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.86 -0.36 0.07 2.92 0.00 0.44 -4.87 105.19 104.26 2avg n GLY 54 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 0.04 1.61 -0.00 -1.96 -3.36 115.11 111.44 2avg h GLN 55 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.32 2avg h GLN 55 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.44 2avg h GLN 55 CO 0.00 0.64 -1.93 -2.39 0.00 0.00 0.00 178.83 175.15 2avg n HIS 56 N -4.62 0.90 -3.84 3.99 1.44 -1.26 -4.64 115.22 107.20 2avg n HIS 56 Ca -0.12 0.27 -0.36 0.00 -2.01 0.00 0.00 57.72 55.50 2avg n HIS 56 Cb 0.38 -1.15 -0.13 0.00 0.12 0.00 0.00 29.99 29.22 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 -6.35 4.47 -0.31 2.39 0.20 -1.22 0.28 118.68 118.13 2avg s LEU 57 Ca -0.13 -1.54 -0.11 0.00 0.69 0.00 0.00 54.13 53.04 2avg s LEU 57 Cb 0.07 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2avg s LEU 57 CO 0.79 -0.37 0.20 -1.10 -0.29 0.00 0.00 176.35 175.58 2avg s GLN 58 N 1.23 3.57 -0.76 1.98 1.11 0.15 0.17 119.66 127.10 2avg s GLN 58 Ca 0.00 -0.58 -0.16 0.00 0.01 0.00 0.00 55.36 54.64 2avg s GLN 58 Cb -0.21 -3.69 0.18 0.00 -1.01 0.00 0.00 33.01 28.28 2avg s GLN 58 CO -0.02 -0.36 0.77 -1.17 0.01 0.00 0.00 175.29 174.51 2avg s LEU 59 N 1.70 6.26 0.51 2.90 0.20 -1.26 0.23 118.68 129.21 2avg s LEU 59 Ca 0.06 -2.30 -0.04 0.00 0.69 0.00 0.00 54.13 52.54 2avg s LEU 59 Cb -0.17 -2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 2avg s LEU 59 CO 0.09 -0.76 0.80 -1.00 -0.29 0.00 0.00 176.35 175.19 2avg s HIS 60 N 1.07 3.42 -0.12 5.38 3.76 0.12 -4.89 115.29 124.03 2avg s HIS 60 Ca 0.17 0.67 -0.04 0.00 -0.15 0.00 0.00 55.06 55.71 2avg s HIS 60 Cb -0.14 -2.43 0.05 0.00 1.11 0.00 0.00 32.58 31.17 2avg s HIS 60 CO -0.05 -0.45 0.13 0.16 -0.85 0.00 0.00 174.74 173.68 2avg s ASP 61 N -4.18 1.34 0.14 1.40 -4.77 -1.24 -0.27 116.67 109.10 2avg s ASP 61 Ca 0.49 -0.06 -0.04 0.00 -3.30 0.00 0.00 52.55 49.64 2avg s ASP 61 Cb -0.10 0.08 -0.05 0.00 -1.09 0.00 0.00 42.92 41.75 2avg s ASP 61 CO 0.44 -0.29 0.37 -0.44 0.70 0.00 0.00 175.17 175.95 2avg s SER 62 N 2.23 6.48 -0.31 2.11 0.01 0.34 -4.90 113.70 119.67 2avg s SER 62 Ca 0.04 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2avg s SER 62 Cb -0.14 -2.08 0.10 0.00 0.21 0.00 0.00 66.02 64.11 2avg s SER 62 CO -0.07 0.05 0.08 -0.47 0.41 0.00 0.00 173.24 173.24 2avg s TYR 63 N -1.67 2.07 -0.26 2.43 5.04 -1.26 -1.41 117.35 122.29 2avg s TYR 63 Ca 0.41 -1.93 -0.02 0.00 -2.44 0.00 0.00 57.07 53.08 2avg s TYR 63 Cb -0.12 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.31 2avg s TYR 63 CO 0.25 -0.88 -0.04 0.34 -1.34 0.00 0.00 175.55 173.89 2avg s ASP 64 N 1.49 4.50 -0.06 4.32 -1.08 -0.52 -4.98 116.67 120.34 2avg s ASP 64 Ca 0.09 -0.93 -0.03 0.00 -0.52 0.00 0.00 52.55 51.16 2avg s ASP 64 Cb -0.18 -1.69 -0.27 0.00 -1.46 0.00 0.00 42.92 39.32 2avg s ASP 64 CO -0.21 -0.16 0.61 -0.09 0.52 0.00 0.00 175.17 175.84 2avg h ARG 65 N 8.03 0.24 0.00 4.34 1.12 -1.93 0.56 114.38 126.74 2avg h ARG 65 Ca -0.30 -0.41 -0.01 0.00 -1.11 0.00 0.00 59.98 58.14 2avg h ARG 65 Cb 1.10 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.21 2avg h ARG 65 CO 0.57 1.09 -0.05 0.00 -3.11 0.00 0.00 179.97 178.47 2avg h ALA 66 N 0.35 1.73 0.00 2.80 0.00 -1.97 0.62 119.26 122.80 2avg h ALA 66 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2avg h ALA 66 Cb 2.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2avg h ALA 66 CO 0.13 0.06 -0.98 0.43 0.00 0.00 0.00 179.25 178.88 2avg n SER 67 N -4.20 0.84 -4.11 0.00 7.64 -1.25 -4.99 113.62 107.55 2avg n SER 67 Ca -0.03 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 2avg n SER 67 Cb 0.13 1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 64.47 2avg n SER 67 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2avg n LYS 68 N -1.53 -0.39 -4.03 1.43 -0.00 0.39 -4.81 118.16 109.22 2avg n LYS 68 Ca 0.02 0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 58.05 2avg n LYS 68 Cb 0.30 -2.48 -0.16 0.00 -0.00 0.00 0.00 35.03 32.68 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 -3.77 1.79 -0.52 0.58 1.01 0.17 0.10 120.40 119.77 2avg s VAL 69 Ca 0.37 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 2avg s VAL 69 Cb -0.21 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2avg s VAL 69 CO 0.93 0.23 0.74 -0.31 0.00 0.00 0.00 175.10 176.68 2avg s TYR 70 N 1.34 2.96 -0.58 5.22 1.51 0.13 -1.44 117.35 126.49 2avg s TYR 70 Ca -0.01 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.50 2avg s TYR 70 Cb -0.16 -3.71 0.05 0.00 -0.11 0.00 0.00 41.96 38.03 2avg s TYR 70 CO -0.09 -1.13 0.95 -1.17 -1.11 0.00 0.00 175.55 173.01 2avg s LEU 71 N 3.11 4.13 -0.44 -1.29 2.96 -0.50 -1.62 118.68 125.03 2avg s LEU 71 Ca 0.21 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 2avg s LEU 71 Cb -0.16 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.81 2avg s LEU 71 CO 0.15 -1.28 0.83 -0.36 -1.32 0.00 0.00 176.35 174.36 2avg s PHE 72 N 4.02 2.99 -0.16 5.38 0.40 0.90 0.13 117.98 131.64 2avg s PHE 72 Ca 0.29 0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.91 2avg s PHE 72 Cb -0.13 -3.71 -0.01 0.00 0.51 0.00 0.00 43.02 39.68 2avg s PHE 72 CO 0.17 -0.98 -0.11 -1.83 0.70 0.00 0.00 175.22 173.17 2avg s GLU 73 N 3.40 3.33 -0.10 0.44 -1.05 0.63 0.58 118.70 125.93 2avg s GLU 73 Ca 0.32 -0.69 -0.17 0.00 -0.15 0.00 0.00 54.97 54.28 2avg s GLU 73 Cb -0.12 -2.73 -0.05 0.00 -0.44 0.00 0.00 34.13 30.79 2avg s GLU 73 CO 0.23 0.03 0.45 -0.51 0.95 0.00 0.00 175.26 176.41 2avg s LEU 74 N 0.82 4.31 -0.39 1.83 1.43 0.21 0.11 118.68 127.00 2avg s LEU 74 Ca -0.04 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 2avg s LEU 74 Cb -0.15 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.52 2avg s LEU 74 CO 0.01 0.07 0.11 -1.00 0.23 0.00 0.00 176.35 175.76 2avg s HIS 75 N 0.28 3.62 -0.33 0.29 3.76 0.14 -2.96 115.29 120.08 2avg s HIS 75 Ca 0.25 -3.04 0.03 0.00 -0.15 0.00 0.00 55.06 52.14 2avg s HIS 75 Cb -0.15 -2.91 0.10 0.00 1.11 0.00 0.00 32.58 30.73 2avg s HIS 75 CO 0.10 -0.90 0.07 0.42 -0.85 0.00 0.00 174.74 173.58 2avg s ILE 76 N 0.60 1.88 0.38 0.60 1.01 -0.81 0.32 121.20 125.17 2avg s ILE 76 Ca 0.13 -2.09 0.06 0.00 0.00 0.00 0.00 60.65 58.75 2avg s ILE 76 Cb -0.21 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 2avg s ILE 76 CO -0.06 -0.63 0.53 0.42 0.00 0.00 0.00 174.94 175.21 2avg s THR 77 N 1.09 3.71 -0.67 2.92 -4.23 0.14 0.02 115.64 118.62 2avg s THR 77 Ca 0.11 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 2avg s THR 77 Cb -0.19 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.39 2avg s THR 77 CO -0.13 -0.12 0.63 0.47 -0.54 0.00 0.00 174.62 174.93 2avg n ASP 78 N -1.77 -5.14 -4.63 3.99 8.00 0.18 -4.70 116.55 112.48 2avg n ASP 78 Ca 0.03 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 2avg n ASP 78 Cb 0.58 -1.70 -0.03 0.00 -0.02 0.00 0.00 41.12 39.96 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2avg s ALA 79 N -2.36 3.21 0.80 2.24 0.00 -1.26 -4.70 121.76 119.69 2avg s ALA 79 Ca 0.16 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 2avg s ALA 79 Cb -0.02 -3.91 0.07 0.00 0.00 0.00 0.00 23.12 19.27 2avg s ALA 79 CO 0.89 -2.07 1.11 1.14 0.00 0.00 0.00 175.76 176.83 2avg s GLN 80 N 5.07 1.99 0.64 0.00 -2.07 -1.26 -3.88 119.66 120.14 2avg s GLN 80 Ca 0.84 1.28 -0.14 0.00 -1.82 0.00 0.00 55.36 55.52 2avg s GLN 80 Cb -0.32 -1.86 -0.02 0.00 -1.09 0.00 0.00 33.01 29.72 2avg s GLN 80 CO 0.34 -1.86 1.07 -1.25 -1.32 0.00 0.00 175.29 172.26 2avg s PRO 81 N -4.78 3.10 -0.96 9.60 0.04 -1.26 -2.79 135.00 137.96 2avg s PRO 81 Ca 0.63 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2avg s PRO 81 Cb -0.19 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2avg s PRO 81 CO 0.56 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 176.62 2avg n ALA 82 N -2.43 -0.14 1.13 8.56 0.00 -1.26 -4.82 120.51 121.54 2avg n ALA 82 Ca 0.09 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2avg n ALA 82 Cb 0.53 -1.48 0.48 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.39 0.00 0.00 0.00 3.01 -1.12 -4.68 117.46 112.28 2avg n PHE 83 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2avg n PHE 83 Cb 0.47 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2avg n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2avg n THR 84 N -1.31 0.00 -1.66 4.37 -1.04 -1.22 0.43 114.28 113.85 2avg n THR 84 Ca 0.09 0.00 -0.58 0.00 -2.04 0.00 0.00 64.05 61.51 2avg n THR 84 Cb 0.32 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.75 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 0.68 2.76 3.41 0.00 0.34 -2.05 105.19 110.33 2avg n GLY 85 Ca 0.00 0.96 -0.30 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 4.64 5.44 3.58 -0.02 0.00 -1.22 -1.06 105.19 116.55 2avg n GLY 86 Ca 0.30 -2.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.27 2.11 -0.31 1.61 1.51 -0.88 -3.83 117.35 114.29 2avg s TYR 87 Ca 0.44 0.61 0.02 0.00 -1.01 0.00 0.00 57.07 57.13 2avg s TYR 87 Cb 0.22 -4.26 0.08 0.00 -0.11 0.00 0.00 41.96 37.88 2avg s TYR 87 CO -0.09 -2.25 0.00 1.03 -1.11 0.00 0.00 175.55 173.13 2avg s ARG 88 N 5.62 1.98 -0.18 -0.62 0.52 0.14 -1.62 118.95 124.79 2avg s ARG 88 Ca 0.63 -1.57 -0.21 0.00 -0.52 0.00 0.00 55.73 54.06 2avg s ARG 88 Cb -0.14 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2avg s ARG 88 CO 0.28 -0.77 0.62 0.00 0.02 0.00 0.00 175.30 175.45 2avg s GLU 90 N 1.71 1.26 -0.12 0.00 2.12 -0.40 -0.26 118.70 123.01 2avg s GLU 90 Ca 0.29 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 54.82 2avg s GLU 90 Cb -0.16 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 2avg s GLU 90 CO 0.11 -0.59 0.14 0.54 -0.54 0.00 0.00 175.26 174.92 2avg s VAL 91 N 1.59 5.51 -0.18 3.70 0.11 -0.48 -1.39 120.40 129.25 2avg s VAL 91 Ca -0.03 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 2avg s VAL 91 Cb -0.18 -3.40 0.06 0.00 -1.53 0.00 0.00 36.38 31.33 2avg s VAL 91 CO -0.07 0.62 0.06 -0.44 -3.33 0.00 0.00 175.10 171.94 2avg s SER 92 N -1.02 2.65 0.27 3.54 0.01 0.17 -3.13 113.70 116.19 2avg s SER 92 Ca 0.15 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.72 2avg s SER 92 Cb -0.12 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 65.62 2avg s SER 92 CO 0.04 -0.33 0.02 -0.89 0.41 0.00 0.00 173.24 172.50 2avg s THR 93 N 1.99 1.10 0.00 1.44 2.01 -0.84 -1.81 115.64 119.52 2avg s THR 93 Ca 0.00 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 59.97 2avg s THR 93 Cb -0.17 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2avg s THR 93 CO -0.08 -0.18 0.00 2.29 -0.69 0.00 0.00 174.62 175.96 2avg n LYS 94 N -0.53 0.00 0.00 4.92 2.85 -1.26 -2.13 118.16 122.00 2avg n LYS 94 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2avg n LYS 94 Cb 0.65 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.03 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 -4.79 -5.58 2.03 -1.26 -5.03 116.55 101.92 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 -0.54 -1.92 0.00 0.00 177.20 174.74 2avg s LYS 96 N 0.00 4.15 -0.03 -0.67 1.02 -0.91 -1.92 119.74 121.38 2avg s LYS 96 Ca 0.00 0.51 0.02 0.00 0.02 0.00 0.00 55.97 56.52 2avg s LYS 96 Cb 0.00 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2avg s LYS 96 CO 0.00 0.47 -0.08 0.12 -0.92 0.00 0.00 175.35 174.94 2avg s PHE 97 N -0.44 0.93 -0.08 3.18 5.36 -1.26 -1.99 117.98 123.69 2avg s PHE 97 Ca 0.26 -0.25 -0.25 0.00 -0.96 0.00 0.00 56.93 55.72 2avg s PHE 97 Cb -0.17 -0.70 0.06 0.00 -0.34 0.00 0.00 43.02 41.87 2avg s PHE 97 CO 0.14 -0.13 0.58 -0.51 -1.46 0.00 0.00 175.22 173.83 2avg s ASP 98 N 0.39 -0.55 -0.00 6.13 1.01 -1.18 -4.98 116.67 117.48 2avg s ASP 98 Ca -0.06 0.67 -0.08 0.00 0.71 0.00 0.00 52.55 53.79 2avg s ASP 98 Cb -0.10 0.62 0.00 0.00 1.01 0.00 0.00 42.92 44.45 2avg s ASP 98 CO 0.01 -0.50 0.16 0.00 0.21 0.00 0.00 175.17 175.05 2avg s SER 100 N -1.29 -0.03 -0.16 0.00 1.04 0.64 -5.00 113.70 108.89 2avg s SER 100 Ca -0.14 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 2avg s SER 100 Cb -0.07 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2avg s SER 100 CO 0.02 -0.06 -0.01 0.54 0.98 0.00 0.00 173.24 174.70 2avg s ASN 101 N 0.45 5.04 -0.14 7.02 6.03 -1.26 -0.78 114.94 131.29 2avg s ASN 101 Ca -0.04 -0.07 -0.04 0.00 -1.03 0.00 0.00 52.86 51.69 2avg s ASN 101 Cb -0.05 -1.83 0.06 0.00 -3.03 0.00 0.00 41.25 36.40 2avg s ASN 101 CO -0.02 0.17 0.11 0.72 -2.03 0.00 0.00 177.10 176.06 2avg s PHE 102 N 0.34 0.06 0.12 1.54 -0.71 -0.64 -4.78 117.98 113.92 2avg s PHE 102 Ca -0.02 -0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 55.78 2avg s PHE 102 Cb -0.14 -0.56 -0.06 0.00 -1.21 0.00 0.00 43.02 41.06 2avg s PHE 102 CO 0.02 -0.44 0.37 -0.80 -1.34 0.00 0.00 175.22 173.03 2avg s ASN 103 N 2.19 6.52 -0.28 1.98 0.01 -1.24 -2.08 114.94 122.04 2avg s ASN 103 Ca 0.03 0.63 0.02 0.00 -0.71 0.00 0.00 52.86 52.83 2avg s ASN 103 Cb -0.15 -2.11 0.06 0.00 0.41 0.00 0.00 41.25 39.47 2avg s ASN 103 CO -0.08 0.09 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.30 2avg s LEU 104 N -2.47 3.67 -0.71 0.60 2.96 -0.23 -0.93 118.68 121.57 2avg s LEU 104 Ca 0.39 -1.48 -0.20 0.00 -0.22 0.00 0.00 54.13 52.62 2avg s LEU 104 Cb -0.12 -1.58 0.11 0.00 0.50 0.00 0.00 46.19 45.09 2avg s LEU 104 CO 0.23 -0.22 0.90 -0.89 -1.32 0.00 0.00 176.35 175.04 2avg s THR 105 N 1.10 4.68 -0.23 3.68 2.01 0.95 0.13 115.64 127.95 2avg s THR 105 Ca -0.06 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.69 2avg s THR 105 Cb -0.20 -4.63 -0.01 0.00 0.01 0.00 0.00 72.50 67.67 2avg s THR 105 CO -0.05 -1.33 0.74 0.54 -0.69 0.00 0.00 174.62 173.84 2avg s VAL 106 N 2.99 4.91 -0.57 3.82 0.11 -1.25 -0.92 120.40 129.50 2avg s VAL 106 Ca 0.21 1.39 -0.18 0.00 -2.93 0.00 0.00 61.98 60.46 2avg s VAL 106 Cb -0.16 -4.04 0.10 0.00 -1.53 0.00 0.00 36.38 30.75 2avg s VAL 106 CO 0.03 -0.01 0.66 -1.00 -3.33 0.00 0.00 175.10 171.45 2avg s HIS 107 N 2.56 3.04 0.03 1.54 3.76 0.32 -4.65 115.29 121.90 2avg s HIS 107 Ca 0.32 -0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 54.02 2avg s HIS 107 Cb -0.16 -3.90 -0.17 0.00 1.11 0.00 0.00 32.58 29.47 2avg s HIS 107 CO 0.08 -1.21 1.38 1.49 -0.85 0.00 0.00 174.74 175.63 2avg h GLU 108 N 9.11 -0.46 0.00 1.40 4.81 -1.94 -1.41 114.58 126.09 2avg h GLU 108 Ca -0.29 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2avg h GLU 108 Cb 1.09 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2avg h GLU 108 CO 1.07 -0.19 -0.13 0.00 -0.73 0.00 0.00 179.01 179.04 2avg n ALA 109 N -2.43 1.48 -1.76 2.92 0.00 -1.26 -4.64 120.51 114.82 2avg n ALA 109 Ca -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2avg n ALA 109 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38