#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 5.70 0.00 -2.24 1.01 -1.26 -4.95 116.67 114.93 2avg s ASP 2 Ca 0.00 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 52.90 2avg s ASP 2 Cb 0.00 -1.00 -0.07 0.00 1.01 0.00 0.00 42.92 42.86 2avg s ASP 2 CO 0.00 -0.51 1.50 -0.81 0.21 0.00 0.00 175.17 175.56 2avg n PRO 3 N -1.63 0.72 0.39 8.23 -0.04 -1.26 -4.26 135.00 137.15 2avg n PRO 3 Ca 0.02 -0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.04 2avg n PRO 3 Cb 0.59 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2avg n PRO 3 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2avg h ILE 4 N 2.14 0.15 -1.94 0.52 5.03 -1.99 -3.48 117.51 117.95 2avg h ILE 4 Ca 0.05 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 2avg h ILE 4 Cb 0.59 0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 2avg h ILE 4 CO 0.22 0.01 0.00 0.61 -0.68 0.00 0.00 178.15 178.32 2avg n GLY 5 N -1.07 0.64 0.30 5.37 0.00 -1.26 -4.95 105.19 104.21 2avg n GLY 5 Ca -0.13 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 0.42 -7.74 0.99 5.85 -1.91 -2.90 115.31 110.02 2avg h LEU 6 Ca 0.00 -0.02 -0.76 0.00 0.84 0.00 0.00 57.88 57.93 2avg h LEU 6 Cb 0.81 -0.10 -0.23 0.00 0.37 0.00 0.00 40.66 41.50 2avg h LEU 6 CO 0.00 0.34 0.62 -0.36 -0.34 0.00 0.00 178.44 178.70 2avg s PHE 7 N -5.35 3.76 0.01 1.25 0.40 -1.26 -2.24 117.98 114.56 2avg s PHE 7 Ca -0.08 -2.15 -0.25 0.00 -0.60 0.00 0.00 56.93 53.85 2avg s PHE 7 Cb 0.17 -4.02 -0.18 0.00 0.51 0.00 0.00 43.02 39.50 2avg s PHE 7 CO 0.73 -1.15 1.40 0.28 0.70 0.00 0.00 175.22 177.17 2avg h VAL 8 N 4.57 1.17 -2.94 -0.44 2.07 -1.16 -3.44 116.25 116.08 2avg h VAL 8 Ca 0.19 -0.74 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 2avg h VAL 8 Cb 0.95 1.66 -0.28 0.00 -1.52 0.00 0.00 31.29 32.09 2avg h VAL 8 CO 1.01 0.19 -0.43 -0.32 0.02 0.00 0.00 177.57 178.03 2avg s MET 9 N -4.87 0.26 -0.11 1.57 -2.45 -0.99 -5.00 119.30 107.71 2avg s MET 9 Ca -0.15 0.57 -0.09 0.00 -1.25 0.00 0.00 55.69 54.77 2avg s MET 9 Cb 0.03 -0.07 -0.04 0.00 1.25 0.00 0.00 34.83 36.00 2avg s MET 9 CO 0.65 -0.15 0.19 -0.98 1.05 0.00 0.00 175.02 175.79 2avg s ARG 10 N 1.16 3.66 0.65 4.11 1.70 -1.26 -0.41 118.95 128.56 2avg s ARG 10 Ca -0.08 -0.04 -0.16 0.00 -0.47 0.00 0.00 55.73 54.98 2avg s ARG 10 Cb -0.09 -3.24 -0.00 0.00 -0.57 0.00 0.00 34.95 31.05 2avg s ARG 10 CO -0.08 0.67 1.13 -1.25 -1.08 0.00 0.00 175.30 174.69 2avg s PRO 11 N -0.77 2.77 0.42 3.89 0.04 -1.11 -4.91 135.00 135.33 2avg s PRO 11 Ca 0.16 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2avg s PRO 11 Cb -0.13 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2avg s PRO 11 CO 0.05 -1.29 0.03 -0.65 0.04 0.00 0.00 177.00 175.18 2avg s GLN 12 N -3.92 1.94 0.00 4.56 -1.52 -1.26 -4.74 119.66 114.72 2avg s GLN 12 Ca 0.69 -2.15 0.00 0.00 -1.95 0.00 0.00 55.36 51.96 2avg s GLN 12 Cb -0.23 -1.30 0.00 0.00 -0.22 0.00 0.00 33.01 31.26 2avg s GLN 12 CO 0.40 -0.22 0.00 -0.40 -0.25 0.00 0.00 175.29 174.82 2avg n ASP 13 N -1.02 0.00 0.00 5.90 5.75 -1.26 -4.75 116.55 121.17 2avg n ASP 13 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 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 2.08 4.11 3.15 6.12 0.00 -0.96 -4.87 105.19 114.81 2avg n GLY 14 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.74 2.85 0.17 1.61 2.02 -1.26 0.18 118.70 122.53 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 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 2avg s GLU 15 CO 0.00 -0.32 -0.02 0.14 0.02 0.00 0.00 175.26 175.08 2avg s VAL 16 N 1.28 0.78 0.26 2.63 -7.23 -0.30 -4.93 120.40 112.89 2avg s VAL 16 Ca 0.01 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2avg s VAL 16 Cb -0.15 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2avg s VAL 16 CO -0.08 -0.52 0.46 -0.89 -0.31 0.00 0.00 175.10 173.76 2avg s THR 17 N -3.59 5.14 -0.32 5.32 2.01 -1.26 0.12 115.64 123.06 2avg s THR 17 Ca 0.23 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 2avg s THR 17 Cb 0.06 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 2avg s THR 17 CO 0.04 -0.30 2.28 0.52 -0.69 0.00 0.00 174.62 176.46 2avg n VAL 18 N -1.01 0.21 0.00 3.82 0.31 -0.84 -1.78 118.33 119.04 2avg n VAL 18 Ca -0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2avg n VAL 18 Cb 0.54 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 2avg n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2avg n GLY 19 N 5.98 1.29 0.00 2.92 0.00 -1.23 -4.88 105.19 109.27 2avg n GLY 19 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.04 0.57 3.52 -0.02 0.00 -0.73 -4.61 105.19 102.87 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 -0.10 0.00 1.61 1.04 -1.26 0.98 113.70 114.97 2avg s SER 21 Ca 0.00 -0.82 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 2avg s SER 21 Cb 0.00 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2avg s SER 21 CO 0.00 -1.07 0.19 -0.51 0.98 0.00 0.00 173.24 172.83 2avg s ILE 22 N -3.98 0.08 -0.04 -1.02 1.10 0.24 -4.81 121.20 112.77 2avg s ILE 22 Ca 0.19 -0.66 -0.00 0.00 -0.51 0.00 0.00 60.65 59.66 2avg s ILE 22 Cb 0.00 -0.54 0.03 0.00 0.15 0.00 0.00 42.46 42.10 2avg s ILE 22 CO 0.05 -0.36 0.01 -0.89 -2.11 0.00 0.00 174.94 171.63 2avg s THR 23 N -1.52 0.19 -0.00 4.00 2.01 -1.26 -0.97 115.64 118.08 2avg s THR 23 Ca -0.13 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2avg s THR 23 Cb -0.06 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 2avg s THR 23 CO 0.02 0.18 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 1.40 2.09 -0.11 4.92 0.08 -0.86 -4.92 117.98 120.57 2avg s PHE 24 Ca -0.04 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2avg s PHE 24 Cb -0.13 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 2avg s PHE 24 CO -0.03 -0.00 -0.06 -1.12 -0.10 0.00 0.00 175.22 173.91 2avg s SER 25 N -0.69 2.12 -0.20 1.36 0.01 -1.26 0.63 113.70 115.67 2avg s SER 25 Ca 0.09 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2avg s SER 25 Cb -0.09 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.41 2avg s SER 25 CO -0.00 -0.14 -0.15 0.00 0.41 0.00 0.00 173.24 173.35 2avg s ALA 26 N 1.76 2.27 -0.25 1.44 0.00 0.93 -2.75 121.76 125.14 2avg s ALA 26 Ca 0.05 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 2avg s ALA 26 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2avg s ALA 26 CO -0.08 -0.63 0.09 1.03 0.00 0.00 0.00 175.76 176.17 2avg s ARG 27 N 1.29 3.71 -0.07 0.00 0.52 0.45 -0.03 118.95 124.82 2avg s ARG 27 Ca 0.01 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2avg s ARG 27 Cb -0.15 -3.38 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 2avg s ARG 27 CO -0.10 -0.19 -0.22 0.08 0.02 0.00 0.00 175.30 174.90 2avg s VAL 28 N 1.64 1.83 -0.21 3.52 1.01 -0.43 -1.91 120.40 125.85 2avg s VAL 28 Ca 0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2avg s VAL 28 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2avg s VAL 28 CO 0.05 0.51 2.10 0.00 0.00 0.00 0.00 175.10 177.76 2avg s ALA 29 N 0.16 2.85 0.42 5.51 0.00 -0.95 -0.05 121.76 129.70 2avg s ALA 29 Ca -0.11 0.73 0.19 0.00 0.00 0.00 0.00 51.96 52.77 2avg s ALA 29 Cb -0.15 -4.03 1.11 0.00 0.00 0.00 0.00 23.12 20.05 2avg s ALA 29 CO 0.05 -2.62 1.83 0.78 0.00 0.00 0.00 175.76 175.81 2avg h GLY 30 N 14.27 0.93 0.00 0.00 0.00 -0.35 -3.45 103.07 114.47 2avg h GLY 30 Ca -0.40 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2avg h GLY 30 CO 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.47 2avg n ALA 31 N -2.52 0.00 -2.44 3.60 0.00 -1.26 -4.59 120.51 113.30 2avg n ALA 31 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2avg n ALA 31 Cb 0.78 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.12 2avg n ALA 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2avg s SER 32 N -4.00 3.51 0.00 0.00 0.01 -1.26 -5.09 113.70 106.87 2avg s SER 32 Ca 0.00 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2avg s SER 32 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2avg s SER 32 CO 0.00 0.11 0.00 -0.11 0.41 0.00 0.00 173.24 173.65 2avg n LEU 33 N 0.16 0.00 -0.32 2.44 7.94 -1.26 -3.98 117.00 121.98 2avg n LEU 33 Ca -0.12 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 54.97 2avg n LEU 33 Cb 0.56 0.00 0.39 0.00 0.53 0.00 0.00 43.42 44.90 2avg n LEU 33 CO 0.31 0.00 1.03 0.25 -1.11 0.00 0.00 177.39 177.86 2avg h LEU 34 N 0.00 0.25 0.00 -1.96 5.85 -1.98 -3.42 115.31 114.05 2avg h LEU 34 Ca 0.00 0.20 -0.65 0.00 0.84 0.00 0.00 57.88 58.26 2avg h LEU 34 Cb 0.00 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.11 2avg h LEU 34 CO 0.00 -0.15 -0.48 2.29 -0.34 0.00 0.00 178.44 179.75 2avg n LYS 35 N -5.15 0.74 -1.79 1.25 -0.00 -1.26 -5.13 118.16 106.82 2avg n LYS 35 Ca 0.27 -3.70 -0.34 0.00 -0.00 0.00 0.00 58.31 54.54 2avg n LYS 35 Cb 0.84 1.12 0.05 0.00 -0.00 0.00 0.00 35.03 37.04 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 -3.81 2.76 0.33 -1.58 0.02 -1.26 -4.88 135.00 126.58 2avg s PRO 36 Ca 0.03 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 2avg s PRO 36 Cb 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 2avg s PRO 36 CO 0.02 -1.31 1.55 -2.14 -0.33 0.00 0.00 177.00 174.80 2avg s PRO 37 N -3.87 4.11 -0.52 5.54 0.02 -1.26 -4.92 135.00 134.10 2avg s PRO 37 Ca 0.70 2.58 -0.17 0.00 0.02 0.00 0.00 61.00 64.14 2avg s PRO 37 Cb -0.23 -3.00 0.09 0.00 0.02 0.00 0.00 34.50 31.38 2avg s PRO 37 CO 0.39 -0.60 0.52 0.08 -0.33 0.00 0.00 177.00 177.06 2avg s VAL 38 N -0.48 5.10 -0.30 3.83 1.01 -0.73 -4.91 120.40 123.92 2avg s VAL 38 Ca 0.59 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2avg s VAL 38 Cb -0.47 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.63 2avg s VAL 38 CO 0.55 -0.80 0.10 -0.69 0.00 0.00 0.00 175.10 174.25 2avg s VAL 39 N 1.95 4.08 -0.19 2.92 1.01 -1.26 0.47 120.40 129.38 2avg s VAL 39 Ca 0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2avg s VAL 39 Cb -0.25 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2avg s VAL 39 CO 0.06 0.07 0.05 -1.59 0.00 0.00 0.00 175.10 173.69 2avg s LYS 40 N 1.52 3.86 0.41 2.72 0.00 -0.49 -4.94 119.74 122.82 2avg s LYS 40 Ca 0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 55.97 55.48 2avg s LYS 40 Cb -0.17 -3.19 -0.07 0.00 0.00 0.00 0.00 37.83 34.40 2avg s LYS 40 CO 0.03 0.18 0.79 -1.58 0.00 0.00 0.00 175.35 174.77 2avg s TRP 41 N 0.62 3.46 -0.02 1.78 0.52 -1.26 -1.07 118.94 122.96 2avg s TRP 41 Ca 0.02 1.11 0.05 0.00 0.02 0.00 0.00 56.10 57.31 2avg s TRP 41 Cb -0.13 -2.49 -0.01 0.00 -1.15 0.00 0.00 33.47 29.68 2avg s TRP 41 CO 0.02 -0.12 -0.18 0.12 0.02 0.00 0.00 176.95 176.81 2avg s PHE 42 N -2.36 1.64 0.33 -1.98 5.36 0.16 -4.12 117.98 117.01 2avg s PHE 42 Ca 0.52 -0.37 0.07 0.00 -0.96 0.00 0.00 56.93 56.19 2avg s PHE 42 Cb -0.10 -1.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.48 2avg s PHE 42 CO 0.30 -0.08 0.33 0.21 -1.46 0.00 0.00 175.22 174.52 2avg s LYS 43 N -0.24 2.82 0.00 10.12 2.20 0.16 0.43 119.74 135.23 2avg s LYS 43 Ca 0.03 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 2avg s LYS 43 Cb -0.09 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 2avg s LYS 43 CO 0.00 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2avg n GLY 44 N -1.43 0.00 0.00 5.54 0.00 -1.23 -1.86 105.19 106.21 2avg n GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2avg n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avg n LYS 45 N 0.00 0.00 0.00 1.61 5.02 -0.35 -3.13 118.16 121.31 2avg n LYS 45 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2avg n LYS 45 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2avg n TRP 46 N -0.72 0.00 -2.63 2.13 4.27 -1.25 -4.92 117.44 114.31 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 0.06 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.05 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 2.66 0.24 -1.67 1.01 -0.78 -4.92 120.40 116.93 2avg s VAL 47 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2avg s VAL 47 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2avg s VAL 47 CO 0.00 0.00 -0.02 1.51 0.00 0.00 0.00 175.10 176.59 2avg s ASP 48 N -4.43 4.53 -0.22 3.32 -4.77 -1.26 0.37 116.67 114.21 2avg s ASP 48 Ca 0.57 -0.59 0.06 0.00 -3.30 0.00 0.00 52.55 49.29 2avg s ASP 48 Cb -0.10 -0.85 -0.20 0.00 -1.09 0.00 0.00 42.92 40.67 2avg s ASP 48 CO 0.38 0.03 -0.05 0.18 0.70 0.00 0.00 175.17 176.42 2avg n LEU 49 N -0.60 2.07 0.32 2.11 4.32 -1.26 -4.35 117.00 119.62 2avg n LEU 49 Ca -0.08 -0.04 0.20 0.00 -0.02 0.00 0.00 56.01 56.07 2avg n LEU 49 Cb 0.58 -0.52 1.06 0.00 -1.62 0.00 0.00 43.42 42.92 2avg n LEU 49 CO 0.39 0.79 1.16 -1.28 -1.22 0.00 0.00 177.39 177.24 2avg h SER 50 N 0.01 0.00 0.00 -1.43 0.87 -1.97 0.74 113.55 111.77 2avg h SER 50 Ca -0.54 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 59.97 2avg h SER 50 Cb 2.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2avg h SER 50 CO -0.03 0.00 -2.02 -1.20 -0.53 0.00 0.00 176.83 173.04 2avg n SER 51 N -3.12 0.12 -0.02 6.23 7.64 -1.26 -4.73 113.62 118.48 2avg n SER 51 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 2avg n SER 51 Cb 0.19 1.85 -0.00 0.00 -1.01 0.00 0.00 64.21 65.24 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 -2.30 0.10 -0.22 1.43 4.76 0.25 -5.00 118.16 117.17 2avg n LYS 52 Ca -0.07 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2avg n LYS 52 Cb 0.63 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.98 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 -2.81 0.00 -1.48 -0.18 0.31 -0.48 -4.88 118.33 108.81 2avg n VAL 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2avg n VAL 53 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 0.42 3.28 0.00 2.92 0.00 0.37 -4.86 105.19 107.32 2avg n GLY 54 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 0.10 -0.12 1.61 6.02 -1.26 -1.55 117.38 122.17 2avg n GLN 55 Ca 0.00 0.21 -0.18 0.00 -0.01 0.00 0.00 57.00 57.02 2avg n GLN 55 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 2avg n GLN 55 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2avg n HIS 56 N -1.26 0.00 -3.79 1.08 -0.00 -1.26 -4.86 115.22 105.13 2avg n HIS 56 Ca 0.03 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.92 2avg n HIS 56 Cb 0.05 -0.91 -0.16 0.00 -0.12 0.00 0.00 29.99 28.85 2avg n HIS 56 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2avg s LEU 57 N -6.51 2.16 -0.37 0.27 0.20 -0.60 -0.36 118.68 113.49 2avg s LEU 57 Ca -0.32 -1.35 -0.17 0.00 0.69 0.00 0.00 54.13 52.97 2avg s LEU 57 Cb 0.09 -0.90 0.00 0.00 -0.43 0.00 0.00 46.19 44.95 2avg s LEU 57 CO 0.53 -0.35 0.47 -1.10 -0.29 0.00 0.00 176.35 175.61 2avg s GLN 58 N 1.60 3.48 -0.76 1.98 -1.52 0.11 0.14 119.66 124.69 2avg s GLN 58 Ca 0.04 -0.36 -0.13 0.00 -1.95 0.00 0.00 55.36 52.96 2avg s GLN 58 Cb -0.18 -3.85 0.20 0.00 -0.22 0.00 0.00 33.01 28.97 2avg s GLN 58 CO -0.16 -0.68 0.69 -1.17 -0.25 0.00 0.00 175.29 173.72 2avg s LEU 59 N 2.27 6.49 0.30 2.90 0.20 -1.26 0.76 118.68 130.33 2avg s LEU 59 Ca 0.16 -2.60 0.07 0.00 0.69 0.00 0.00 54.13 52.45 2avg s LEU 59 Cb -0.16 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.41 2avg s LEU 59 CO 0.13 -0.58 0.24 -2.28 -0.29 0.00 0.00 176.35 173.57 2avg s HIS 60 N 0.31 2.98 -0.09 5.38 2.46 -0.01 -4.91 115.29 121.42 2avg s HIS 60 Ca 0.16 -0.22 0.01 0.00 0.47 0.00 0.00 55.06 55.48 2avg s HIS 60 Cb -0.14 -1.60 0.02 0.00 -0.13 0.00 0.00 32.58 30.73 2avg s HIS 60 CO -0.07 0.35 -0.11 0.16 -2.47 0.00 0.00 174.74 172.60 2avg s ASP 61 N -3.92 2.00 0.04 9.88 1.47 -1.26 0.13 116.67 125.02 2avg s ASP 61 Ca 0.37 -0.32 -0.03 0.00 1.18 0.00 0.00 52.55 53.75 2avg s ASP 61 Cb -0.07 -0.86 -0.04 0.00 -0.34 0.00 0.00 42.92 41.61 2avg s ASP 61 CO 0.26 -0.03 0.24 -0.44 0.68 0.00 0.00 175.17 175.88 2avg s SER 62 N 1.11 6.41 -0.28 2.11 0.01 0.36 -4.92 113.70 118.50 2avg s SER 62 Ca -0.06 0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2avg s SER 62 Cb -0.14 -2.02 0.12 0.00 0.21 0.00 0.00 66.02 64.18 2avg s SER 62 CO -0.02 0.20 0.22 -0.47 0.41 0.00 0.00 173.24 173.59 2avg s TYR 63 N -1.42 -0.15 -0.13 2.43 5.04 -1.26 0.01 117.35 121.86 2avg s TYR 63 Ca 0.32 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.57 2avg s TYR 63 Cb -0.13 -0.62 -0.00 0.00 0.35 0.00 0.00 41.96 41.56 2avg s TYR 63 CO 0.22 -0.85 -0.18 0.34 -1.34 0.00 0.00 175.55 173.73 2avg s ASP 64 N 2.26 3.50 -0.08 4.32 -1.08 -0.45 -5.01 116.67 120.12 2avg s ASP 64 Ca 0.09 -0.48 -0.11 0.00 -0.52 0.00 0.00 52.55 51.52 2avg s ASP 64 Cb -0.15 -1.51 -0.29 0.00 -1.46 0.00 0.00 42.92 39.51 2avg s ASP 64 CO -0.32 0.12 0.56 0.03 0.52 0.00 0.00 175.17 176.08 2avg h ARG 65 N 7.01 0.32 0.00 4.34 2.47 -1.95 -0.13 114.38 126.45 2avg h ARG 65 Ca -0.27 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 57.89 2avg h ARG 65 Cb 1.21 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 2avg h ARG 65 CO 0.54 1.26 0.00 0.00 0.56 0.00 0.00 179.97 182.33 2avg h ALA 66 N 0.05 1.00 0.00 0.04 0.00 -1.96 -1.80 119.26 116.60 2avg h ALA 66 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2avg h ALA 66 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2avg h ALA 66 CO 0.12 0.00 -1.09 0.45 0.00 0.00 0.00 179.25 178.74 2avg n SER 67 N -2.73 0.74 -1.09 0.00 2.88 -1.25 -4.95 113.62 107.22 2avg n SER 67 Ca 0.04 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 2avg n SER 67 Cb 0.43 0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 64.49 2avg n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2avg n LYS 68 N -2.56 -0.78 -4.21 -1.46 3.00 -0.68 -4.96 118.16 106.52 2avg n LYS 68 Ca -0.00 0.50 -0.23 0.00 -0.00 0.00 0.00 58.31 58.58 2avg n LYS 68 Cb 0.54 -4.54 -0.17 0.00 0.00 0.00 0.00 35.03 30.87 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 -2.48 0.78 -0.37 3.15 1.01 -0.13 0.42 120.40 122.77 2avg s VAL 69 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 2avg s VAL 69 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2avg s VAL 69 CO 0.00 0.29 0.39 -0.31 0.00 0.00 0.00 175.10 175.47 2avg s TYR 70 N 1.08 3.19 -0.55 5.22 1.51 0.92 -1.34 117.35 127.39 2avg s TYR 70 Ca -0.08 -0.15 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 2avg s TYR 70 Cb -0.14 -2.76 0.07 0.00 -0.11 0.00 0.00 41.96 39.01 2avg s TYR 70 CO -0.01 -0.54 0.73 -1.17 -1.11 0.00 0.00 175.55 173.46 2avg s LEU 71 N 2.07 4.85 -0.40 -1.29 2.96 0.10 -1.31 118.68 125.66 2avg s LEU 71 Ca 0.12 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 52.84 2avg s LEU 71 Cb -0.17 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2avg s LEU 71 CO 0.12 -1.05 0.89 -0.36 -1.32 0.00 0.00 176.35 174.63 2avg s PHE 72 N 3.01 3.03 -0.21 5.38 0.08 0.96 0.14 117.98 130.36 2avg s PHE 72 Ca 0.18 0.57 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 2avg s PHE 72 Cb -0.19 -3.71 -0.00 0.00 -0.57 0.00 0.00 43.02 38.55 2avg s PHE 72 CO 0.12 -0.91 -0.08 -1.83 -0.10 0.00 0.00 175.22 172.42 2avg s GLU 73 N 3.49 3.28 -0.08 0.44 -1.05 0.35 -0.05 118.70 125.08 2avg s GLU 73 Ca 0.36 -0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 54.30 2avg s GLU 73 Cb -0.12 -2.91 -0.04 0.00 -0.44 0.00 0.00 34.13 30.62 2avg s GLU 73 CO 0.21 -0.20 0.58 -0.51 0.95 0.00 0.00 175.26 176.28 2avg s LEU 74 N 1.44 4.31 -0.41 1.83 1.43 0.20 -0.83 118.68 126.65 2avg s LEU 74 Ca 0.06 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2avg s LEU 74 Cb -0.14 -2.87 0.11 0.00 0.03 0.00 0.00 46.19 43.32 2avg s LEU 74 CO -0.05 -0.03 0.14 -1.00 0.23 0.00 0.00 176.35 175.64 2avg s HIS 75 N 0.55 3.42 -0.33 0.29 3.76 0.23 -2.03 115.29 121.18 2avg s HIS 75 Ca 0.31 -3.02 0.04 0.00 -0.15 0.00 0.00 55.06 52.24 2avg s HIS 75 Cb -0.17 -2.82 0.09 0.00 1.11 0.00 0.00 32.58 30.80 2avg s HIS 75 CO 0.14 -0.86 0.03 0.42 -0.85 0.00 0.00 174.74 173.62 2avg s ILE 76 N 0.44 2.30 0.35 0.60 1.01 -0.15 0.08 121.20 125.84 2avg s ILE 76 Ca 0.13 -2.22 0.07 0.00 0.00 0.00 0.00 60.65 58.64 2avg s ILE 76 Cb -0.22 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2avg s ILE 76 CO -0.05 -0.51 0.44 0.42 0.00 0.00 0.00 174.94 175.24 2avg s THR 77 N 0.94 3.72 -0.50 2.92 -4.23 0.52 0.81 115.64 119.82 2avg s THR 77 Ca 0.08 -1.09 -0.32 0.00 -1.18 0.00 0.00 61.69 59.17 2avg s THR 77 Cb -0.19 -3.28 0.05 0.00 1.34 0.00 0.00 72.50 70.42 2avg s THR 77 CO -0.07 -0.13 0.64 -0.90 -0.54 0.00 0.00 174.62 173.62 2avg n ASP 78 N -1.61 -5.18 -4.67 3.99 5.75 0.27 -4.75 116.55 110.37 2avg n ASP 78 Ca 0.01 -0.30 -0.42 0.00 -0.01 0.00 0.00 54.79 54.06 2avg n ASP 78 Cb 0.59 -1.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.11 2avg n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2avg s ALA 79 N -1.68 3.63 0.32 2.12 0.00 -1.26 -4.78 121.76 120.11 2avg s ALA 79 Ca 0.31 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2avg s ALA 79 Cb -0.03 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 2avg s ALA 79 CO 0.86 -1.22 1.46 -1.14 0.00 0.00 0.00 175.76 175.71 2avg s GLN 80 N 3.51 4.20 0.19 0.00 2.00 -1.26 -3.53 119.66 124.78 2avg s GLN 80 Ca 0.65 2.43 0.11 0.00 -2.00 0.00 0.00 55.36 56.55 2avg s GLN 80 Cb -0.29 -3.03 0.62 0.00 0.80 0.00 0.00 33.01 31.11 2avg s GLN 80 CO 0.23 -0.45 1.31 -0.35 -0.50 0.00 0.00 175.29 175.54 2avg n PRO 81 N 1.30 0.07 -0.60 1.67 -0.04 -1.26 -0.61 135.00 135.53 2avg n PRO 81 Ca 0.03 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 64.09 2avg n PRO 81 Cb 0.40 -1.82 0.27 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.61 3.44 -0.06 0.55 0.00 -1.26 -4.63 120.51 116.95 2avg n ALA 82 Ca -0.01 -2.40 -0.22 0.00 0.00 0.00 0.00 53.44 50.82 2avg n ALA 82 Cb 0.09 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 2avg n ALA 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2avg h PHE 83 N 1.99 0.17 -2.67 0.00 0.04 -1.22 -3.46 116.94 111.79 2avg h PHE 83 Ca 0.06 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 2avg h PHE 83 Cb 1.63 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.78 2avg h PHE 83 CO 0.72 1.56 -0.16 2.41 -0.60 0.00 0.00 178.31 182.23 2avg n THR 84 N -4.15 -0.51 -1.91 -1.55 -1.04 -1.24 -1.21 114.28 102.68 2avg n THR 84 Ca -0.31 0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.34 2avg n THR 84 Cb 0.79 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 2avg n THR 84 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2avg s GLY 85 N -0.24 0.01 -1.34 3.41 0.00 0.21 -2.47 107.32 106.89 2avg s GLY 85 Ca 0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.15 2avg s GLY 85 CO 0.12 3.63 2.02 0.61 0.00 0.00 0.00 173.10 179.47 2avg n GLY 86 N 5.85 4.68 3.70 0.20 0.00 -1.19 0.50 105.19 118.93 2avg n GLY 86 Ca 0.26 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 1.16 3.52 0.21 1.61 1.51 -0.74 -3.54 117.35 121.08 2avg s TYR 87 Ca 0.43 1.54 0.10 0.00 -1.01 0.00 0.00 57.07 58.13 2avg s TYR 87 Cb 0.11 -3.23 -0.05 0.00 -0.11 0.00 0.00 41.96 38.69 2avg s TYR 87 CO -0.03 -0.45 -0.20 1.03 -1.11 0.00 0.00 175.55 174.79 2avg s ARG 88 N 1.46 1.45 -0.15 -0.62 0.52 0.17 -1.28 118.95 120.49 2avg s ARG 88 Ca 0.53 -1.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2avg s ARG 88 Cb -0.22 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 33.73 2avg s ARG 88 CO 0.25 0.31 -0.04 0.00 0.02 0.00 0.00 175.30 175.84 2avg s GLU 90 N 1.71 1.41 -0.03 0.00 2.02 -0.23 0.29 118.70 123.86 2avg s GLU 90 Ca 0.02 -1.25 -0.02 0.00 0.02 0.00 0.00 54.97 53.74 2avg s GLU 90 Cb -0.15 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2avg s GLU 90 CO -0.07 -0.77 0.09 0.54 0.02 0.00 0.00 175.26 175.07 2avg s VAL 91 N 1.30 4.86 -0.20 2.63 0.11 -0.75 -1.40 120.40 126.96 2avg s VAL 91 Ca 0.02 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2avg s VAL 91 Cb -0.19 -3.19 0.06 0.00 -1.53 0.00 0.00 36.38 31.54 2avg s VAL 91 CO -0.11 0.42 0.05 -0.55 -3.33 0.00 0.00 175.10 171.58 2avg s SER 92 N -1.56 2.94 0.04 3.54 0.15 0.18 -3.21 113.70 115.78 2avg s SER 92 Ca 0.21 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 56.04 2avg s SER 92 Cb -0.12 -0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 2avg s SER 92 CO 0.12 -0.32 -0.12 -0.89 1.20 0.00 0.00 173.24 173.22 2avg s THR 93 N 1.88 0.97 0.00 6.45 2.01 -0.99 -1.77 115.64 124.19 2avg s THR 93 Ca 0.00 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2avg s THR 93 Cb -0.17 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2avg s THR 93 CO -0.10 -0.09 0.00 2.29 -0.69 0.00 0.00 174.62 176.03 2avg n LYS 94 N 1.79 0.00 0.00 4.92 -0.00 -1.26 0.12 118.16 123.74 2avg n LYS 94 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2avg n LYS 94 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 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 0.00 0.00 -4.86 -5.58 2.03 -1.26 -5.00 116.55 101.88 2avg n ASP 95 Ca 0.00 -1.00 -0.36 0.00 0.52 0.00 0.00 54.79 53.95 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 3.80 -0.03 -0.67 2.36 0.33 -1.61 119.74 123.91 2avg s LYS 96 Ca 0.00 0.25 0.02 0.00 -2.55 0.00 0.00 55.97 53.68 2avg s LYS 96 Cb 0.00 -3.10 0.01 0.00 -1.05 0.00 0.00 37.83 33.69 2avg s LYS 96 CO 0.00 0.63 -0.06 0.12 1.55 0.00 0.00 175.35 177.59 2avg s PHE 97 N -1.25 0.81 0.02 4.03 5.36 -1.26 -2.35 117.98 123.35 2avg s PHE 97 Ca 0.28 -0.22 -0.16 0.00 -0.96 0.00 0.00 56.93 55.87 2avg s PHE 97 Cb -0.15 -0.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.92 2avg s PHE 97 CO 0.15 -0.14 0.36 -0.51 -1.46 0.00 0.00 175.22 173.62 2avg s ASP 98 N 0.55 -0.22 -0.02 6.13 1.01 -1.20 -4.98 116.67 117.94 2avg s ASP 98 Ca -0.08 0.00 -0.13 0.00 0.71 0.00 0.00 52.55 53.05 2avg s ASP 98 Cb -0.11 0.37 0.02 0.00 1.01 0.00 0.00 42.92 44.21 2avg s ASP 98 CO 0.00 -0.58 0.28 0.00 0.21 0.00 0.00 175.17 175.08 2avg s SER 100 N -1.17 1.28 -0.06 0.00 0.15 0.14 -4.94 113.70 109.10 2avg s SER 100 Ca -0.12 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 55.90 2avg s SER 100 Cb -0.05 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2avg s SER 100 CO 0.03 -0.16 0.01 0.54 1.20 0.00 0.00 173.24 174.86 2avg s ASN 101 N -1.77 1.42 -0.06 5.45 6.03 -1.26 -0.11 114.94 124.63 2avg s ASN 101 Ca -0.05 -0.05 -0.03 0.00 -1.03 0.00 0.00 52.86 51.71 2avg s ASN 101 Cb -0.09 -0.37 0.04 0.00 -3.03 0.00 0.00 41.25 37.80 2avg s ASN 101 CO 0.01 -0.19 0.14 0.72 -2.03 0.00 0.00 177.10 175.75 2avg s PHE 102 N 1.92 -0.16 -0.17 1.54 -0.71 -0.41 -4.84 117.98 115.15 2avg s PHE 102 Ca 0.04 0.47 -0.05 0.00 -1.04 0.00 0.00 56.93 56.35 2avg s PHE 102 Cb -0.12 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 2avg s PHE 102 CO -0.04 -0.16 -0.01 0.54 -1.34 0.00 0.00 175.22 174.21 2avg s ASN 103 N 1.11 4.97 -0.44 1.98 4.22 -1.21 -1.79 114.94 123.79 2avg s ASN 103 Ca -0.09 -0.11 -0.18 0.00 -2.14 0.00 0.00 52.86 50.34 2avg s ASN 103 Cb -0.11 -1.83 0.03 0.00 1.28 0.00 0.00 41.25 40.62 2avg s ASN 103 CO -0.06 0.14 0.52 -0.22 -2.04 0.00 0.00 177.10 175.44 2avg s LEU 104 N 0.56 4.80 -0.73 3.54 2.96 0.18 -2.28 118.68 127.71 2avg s LEU 104 Ca -0.01 -0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 53.07 2avg s LEU 104 Cb -0.14 -2.49 0.10 0.00 0.50 0.00 0.00 46.19 44.16 2avg s LEU 104 CO 0.02 -0.68 0.94 -0.89 -1.32 0.00 0.00 176.35 174.42 2avg s THR 105 N 2.38 4.60 -0.37 3.68 2.01 0.13 0.64 115.64 128.71 2avg s THR 105 Ca 0.15 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 2avg s THR 105 Cb -0.17 -4.66 0.01 0.00 0.01 0.00 0.00 72.50 67.70 2avg s THR 105 CO 0.15 -1.38 1.23 0.54 -0.69 0.00 0.00 174.62 174.46 2avg s VAL 106 N 3.22 4.20 -0.75 3.82 0.11 -1.25 -1.15 120.40 128.61 2avg s VAL 106 Ca 0.23 1.32 -0.24 0.00 -2.93 0.00 0.00 61.98 60.36 2avg s VAL 106 Cb -0.15 -4.33 0.06 0.00 -1.53 0.00 0.00 36.38 30.43 2avg s VAL 106 CO 0.03 -0.65 1.15 -1.00 -3.33 0.00 0.00 175.10 171.30 2avg s HIS 107 N 4.40 2.55 -0.04 1.54 3.76 0.33 -4.82 115.29 123.01 2avg s HIS 107 Ca 0.52 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 2avg s HIS 107 Cb -0.13 -4.46 -0.04 0.00 1.11 0.00 0.00 32.58 29.06 2avg s HIS 107 CO 0.25 -1.83 1.32 -2.00 -0.85 0.00 0.00 174.74 171.64 2avg s GLU 108 N 4.65 4.30 0.00 1.40 -6.30 -1.26 -1.99 118.70 119.50 2avg s GLU 108 Ca 0.30 1.83 0.00 0.00 -2.50 0.00 0.00 54.97 54.61 2avg s GLU 108 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 34.13 30.42 2avg s GLU 108 CO 0.08 -0.55 0.00 0.00 0.02 0.00 0.00 175.26 174.81 2avg n ALA 109 N 5.50 0.00 0.42 6.30 0.00 -1.26 -5.02 120.51 126.46 2avg n ALA 109 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2avg n ALA 109 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.94 2avg n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17