#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 4.46 0.00 -1.12 1.01 -1.26 -4.88 116.67 114.88 2avg s ASP 2 Ca 0.00 0.55 -0.01 0.00 0.71 0.00 0.00 52.55 53.81 2avg s ASP 2 Cb 0.00 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.85 2avg s ASP 2 CO 0.00 -1.88 1.39 -2.65 0.21 0.00 0.00 175.17 172.24 2avg n PRO 3 N -3.19 0.70 0.03 8.23 -0.02 -1.26 -4.07 135.00 135.41 2avg n PRO 3 Ca 0.09 -0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.34 2avg n PRO 3 Cb 0.61 -1.31 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 2avg n PRO 3 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2avg h ILE 4 N 1.59 1.06 -0.04 4.25 5.03 -2.00 -3.47 117.51 123.93 2avg h ILE 4 Ca 0.02 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 2avg h ILE 4 Cb 0.65 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 35.63 2avg h ILE 4 CO 0.06 0.05 0.00 0.61 -0.68 0.00 0.00 178.15 178.19 2avg n GLY 5 N -0.88 0.88 0.38 5.37 0.00 -1.26 -4.88 105.19 104.80 2avg n GLY 5 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.39 -7.89 0.99 5.85 -1.88 -2.76 115.31 108.23 2avg h LEU 6 Ca 0.00 0.29 -0.68 0.00 0.84 0.00 0.00 57.88 58.32 2avg h LEU 6 Cb 0.69 0.71 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2avg h LEU 6 CO 0.00 -0.29 1.56 -0.36 -0.34 0.00 0.00 178.44 179.01 2avg s PHE 7 N -5.94 3.00 0.03 1.25 0.40 -1.26 -1.15 117.98 114.32 2avg s PHE 7 Ca -0.14 -1.58 -0.20 0.00 -0.60 0.00 0.00 56.93 54.42 2avg s PHE 7 Cb 0.19 -4.53 -0.16 0.00 0.51 0.00 0.00 43.02 39.02 2avg s PHE 7 CO 0.70 -1.66 1.27 0.28 0.70 0.00 0.00 175.22 176.52 2avg h VAL 8 N 5.60 1.38 -3.59 -0.44 2.07 -0.81 -3.44 116.25 117.02 2avg h VAL 8 Ca 0.31 -1.56 -0.35 0.00 0.82 0.00 0.00 66.70 65.92 2avg h VAL 8 Cb 0.93 2.07 -0.32 0.00 -1.52 0.00 0.00 31.29 32.44 2avg h VAL 8 CO 1.33 0.46 -0.75 -0.04 0.02 0.00 0.00 177.57 178.58 2avg s MET 9 N -3.96 0.44 -0.23 1.57 -1.94 -0.76 -4.93 119.30 109.48 2avg s MET 9 Ca -0.14 -0.03 -0.19 0.00 -1.71 0.00 0.00 55.69 53.62 2avg s MET 9 Cb 0.05 -0.52 -0.03 0.00 2.01 0.00 0.00 34.83 36.34 2avg s MET 9 CO 0.78 -0.06 0.56 1.03 -0.01 0.00 0.00 175.02 177.32 2avg s ARG 10 N 0.68 4.14 0.80 2.03 0.52 -1.26 -2.44 118.95 123.42 2avg s ARG 10 Ca -0.07 0.45 -0.13 0.00 -0.52 0.00 0.00 55.73 55.46 2avg s ARG 10 Cb -0.11 -3.61 0.08 0.00 0.52 0.00 0.00 34.95 31.83 2avg s ARG 10 CO -0.01 -0.29 1.18 -1.25 0.02 0.00 0.00 175.30 174.95 2avg s PRO 11 N 2.09 1.73 0.28 3.54 0.04 -1.21 -4.94 135.00 136.53 2avg s PRO 11 Ca 0.24 1.64 0.12 0.00 0.04 0.00 0.00 61.00 63.04 2avg s PRO 11 Cb -0.16 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2avg s PRO 11 CO 0.09 -2.12 -0.20 -1.14 0.04 0.00 0.00 177.00 173.67 2avg s GLN 12 N -4.26 1.68 0.00 4.56 2.00 -1.26 -4.77 119.66 117.60 2avg s GLN 12 Ca 0.71 -1.77 0.00 0.00 -2.00 0.00 0.00 55.36 52.29 2avg s GLN 12 Cb -0.26 -1.77 0.00 0.00 0.80 0.00 0.00 33.01 31.78 2avg s GLN 12 CO 0.51 0.33 0.00 -0.25 -0.50 0.00 0.00 175.29 175.38 2avg n ASP 13 N -0.62 0.00 0.00 6.67 9.92 -1.26 -4.79 116.55 126.47 2avg n ASP 13 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2avg n ASP 13 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 2avg n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2avg n GLY 14 N 0.00 4.07 3.32 0.44 0.00 0.07 -4.87 105.19 108.22 2avg n GLY 14 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.25 3.31 0.10 1.61 2.02 -1.26 -0.43 118.70 121.80 2avg s GLU 15 Ca 0.00 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2avg s GLU 15 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2avg s GLU 15 CO 0.00 -0.25 0.01 0.14 0.02 0.00 0.00 175.26 175.18 2avg s VAL 16 N 1.48 0.24 0.32 2.63 -7.23 -0.28 -4.93 120.40 112.62 2avg s VAL 16 Ca 0.05 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2avg s VAL 16 Cb -0.15 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2avg s VAL 16 CO -0.02 -0.69 0.53 -0.89 -0.31 0.00 0.00 175.10 173.73 2avg s THR 17 N -3.94 5.10 -0.36 5.32 2.01 -1.26 0.13 115.64 122.64 2avg s THR 17 Ca 0.17 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 2avg s THR 17 Cb 0.07 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2avg s THR 17 CO -0.03 -0.46 1.93 -0.69 -0.69 0.00 0.00 174.62 174.69 2avg s VAL 18 N -2.21 3.34 0.00 3.82 1.01 -0.23 -1.68 120.40 124.45 2avg s VAL 18 Ca 0.41 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2avg s VAL 18 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2avg s VAL 18 CO 0.34 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2avg n GLY 19 N 5.57 1.45 0.00 4.51 0.00 -1.25 -4.97 105.19 110.49 2avg n GLY 19 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.54 0.49 3.68 -0.02 0.00 -0.67 -4.73 105.19 103.39 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 -0.56 0.00 0.00 0.00 173.32 172.76 2avg s SER 21 N -1.00 -0.08 -0.02 1.61 0.01 -1.26 0.72 113.70 113.68 2avg s SER 21 Ca 0.00 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.24 2avg s SER 21 Cb 0.00 0.65 0.02 0.00 0.21 0.00 0.00 66.02 66.90 2avg s SER 21 CO 0.00 -1.24 0.29 -0.51 0.41 0.00 0.00 173.24 172.19 2avg s ILE 22 N -3.83 0.06 -0.03 1.44 1.10 0.26 -4.78 121.20 115.41 2avg s ILE 22 Ca 0.19 -0.47 -0.01 0.00 -0.51 0.00 0.00 60.65 59.84 2avg s ILE 22 Cb -0.02 -0.59 0.03 0.00 0.15 0.00 0.00 42.46 42.03 2avg s ILE 22 CO 0.09 -0.26 0.06 -0.89 -2.11 0.00 0.00 174.94 171.83 2avg s THR 23 N -1.27 -0.09 0.16 4.00 2.01 -1.26 -1.47 115.64 117.72 2avg s THR 23 Ca -0.13 0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.29 2avg s THR 23 Cb -0.05 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 2avg s THR 23 CO 0.04 0.13 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.48 2avg s PHE 24 N 1.59 2.30 -0.02 4.92 0.08 -1.12 -4.91 117.98 120.83 2avg s PHE 24 Ca -0.03 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.65 2avg s PHE 24 Cb -0.12 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2avg s PHE 24 CO -0.03 0.42 0.02 -1.12 -0.10 0.00 0.00 175.22 174.42 2avg s SER 25 N -2.39 0.18 -0.08 1.36 0.01 -1.26 -0.76 113.70 110.76 2avg s SER 25 Ca 0.18 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.46 2avg s SER 25 Cb -0.09 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2avg s SER 25 CO 0.08 -0.13 -0.04 0.00 0.41 0.00 0.00 173.24 173.57 2avg s ALA 26 N 1.11 0.91 -0.22 1.44 0.00 -0.36 -3.31 121.76 121.33 2avg s ALA 26 Ca -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2avg s ALA 26 Cb -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2avg s ALA 26 CO -0.03 -0.34 0.02 1.03 0.00 0.00 0.00 175.76 176.44 2avg s ARG 27 N 1.64 3.61 -0.13 0.00 0.52 -1.02 -0.68 118.95 122.90 2avg s ARG 27 Ca 0.01 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2avg s ARG 27 Cb -0.13 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.19 2avg s ARG 27 CO -0.05 -0.07 -0.21 0.08 0.02 0.00 0.00 175.30 175.07 2avg s VAL 28 N 1.25 1.93 -0.20 3.52 1.01 -0.39 -1.11 120.40 126.40 2avg s VAL 28 Ca 0.04 -0.91 -0.32 0.00 0.00 0.00 0.00 61.98 60.80 2avg s VAL 28 Cb -0.15 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 2avg s VAL 28 CO 0.02 0.53 2.12 0.00 0.00 0.00 0.00 175.10 177.76 2avg n ALA 29 N 4.02 1.37 0.14 5.51 0.00 -0.30 0.50 120.51 131.75 2avg n ALA 29 Ca -0.20 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2avg n ALA 29 Cb 0.52 -2.70 -0.08 0.00 0.00 0.00 0.00 19.45 17.18 2avg n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2avg h GLY 30 N 12.65 -0.93 -0.99 0.00 0.00 -0.04 -3.43 103.07 110.32 2avg h GLY 30 Ca -0.40 0.53 0.12 0.00 0.00 0.00 0.00 47.33 47.59 2avg h GLY 30 CO 0.97 -0.28 -0.16 0.00 0.00 0.00 0.00 176.54 177.07 2avg n ALA 31 N -2.84 -1.15 -1.23 3.60 0.00 -1.26 -4.40 120.51 113.22 2avg n ALA 31 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2avg n ALA 31 Cb 0.39 -0.40 0.23 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.26 3.30 -4.22 0.00 2.88 -1.26 -5.02 113.62 107.04 2avg n SER 32 Ca 0.00 -3.44 -0.30 0.00 -1.33 0.00 0.00 58.87 53.81 2avg n SER 32 Cb 0.20 -0.63 0.21 0.00 -0.75 0.00 0.00 64.21 63.25 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 -0.82 -2.03 -0.02 2.46 -0.00 -1.26 -4.91 117.00 110.41 2avg n LEU 33 Ca 0.32 -0.23 -0.10 0.00 -0.00 0.00 0.00 56.01 55.99 2avg n LEU 33 Cb 1.07 -1.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 2avg n LEU 33 CO 0.23 -3.29 0.65 0.25 -0.00 0.00 0.00 177.39 175.23 2avg h LEU 34 N -2.46 -1.01 -7.68 1.47 5.85 -1.96 -3.43 115.31 106.08 2avg h LEU 34 Ca -0.54 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 2avg h LEU 34 Cb 1.31 0.44 -0.17 0.00 0.37 0.00 0.00 40.66 42.61 2avg h LEU 34 CO 0.40 -0.35 -0.34 -1.59 -0.34 0.00 0.00 178.44 176.22 2avg s LYS 35 N -6.00 0.75 0.16 1.25 0.00 -1.26 -5.11 119.74 109.54 2avg s LYS 35 Ca -0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 55.97 54.89 2avg s LYS 35 Cb 0.11 0.32 -0.17 0.00 0.00 0.00 0.00 37.83 38.08 2avg s LYS 35 CO 0.66 -0.23 0.60 -2.30 0.00 0.00 0.00 175.35 174.09 2avg n PRO 36 N 0.55 0.00 -1.69 1.78 -0.02 -1.26 -4.78 135.00 129.58 2avg n PRO 36 Ca -0.18 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.87 2avg n PRO 36 Cb 0.60 -1.07 -0.01 0.00 -0.02 0.00 0.00 33.50 33.00 2avg n PRO 36 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2avg n PRO 37 N 1.07 2.11 -3.32 0.52 -0.02 -1.26 -4.92 135.00 129.18 2avg n PRO 37 Ca 0.18 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.96 2avg n PRO 37 Cb 0.22 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 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 -0.95 5.14 -0.28 -1.45 1.01 -1.13 -4.95 120.40 117.78 2avg s VAL 38 Ca 0.57 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 2avg s VAL 38 Cb -0.58 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.63 2avg s VAL 38 CO 0.60 -0.67 0.01 -0.69 0.00 0.00 0.00 175.10 174.36 2avg s VAL 39 N 1.91 3.35 -0.21 2.92 1.01 -1.26 0.31 120.40 128.43 2avg s VAL 39 Ca 0.07 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 2avg s VAL 39 Cb -0.23 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2avg s VAL 39 CO 0.08 0.06 0.08 -1.59 0.00 0.00 0.00 175.10 173.73 2avg s LYS 40 N 1.38 3.91 0.39 2.72 0.00 -0.89 -4.96 119.74 122.29 2avg s LYS 40 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 55.97 55.45 2avg s LYS 40 Cb -0.18 -3.29 -0.08 0.00 0.00 0.00 0.00 37.83 34.28 2avg s LYS 40 CO -0.01 0.13 0.81 -1.58 0.00 0.00 0.00 175.35 174.70 2avg s TRP 41 N 0.79 3.40 -0.03 1.78 0.52 -1.26 -1.40 118.94 122.74 2avg s TRP 41 Ca 0.04 1.26 0.03 0.00 0.02 0.00 0.00 56.10 57.46 2avg s TRP 41 Cb -0.13 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.59 2avg s TRP 41 CO 0.02 -0.06 -0.12 0.12 0.02 0.00 0.00 176.95 176.93 2avg s PHE 42 N -2.22 1.21 0.39 -1.98 5.36 -0.42 -4.22 117.98 116.10 2avg s PHE 42 Ca 0.55 -0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.29 2avg s PHE 42 Cb -0.10 -0.83 -0.01 0.00 -0.34 0.00 0.00 43.02 41.75 2avg s PHE 42 CO 0.23 -0.10 0.45 0.21 -1.46 0.00 0.00 175.22 174.55 2avg s LYS 43 N 0.06 2.80 0.00 10.12 2.20 0.47 -0.97 119.74 134.41 2avg s LYS 43 Ca -0.02 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2avg s LYS 43 Cb -0.09 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2avg s LYS 43 CO 0.01 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2avg n GLY 44 N -1.65 0.00 0.00 5.54 0.00 -1.23 -2.53 105.19 105.32 2avg n GLY 44 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.25 -2.85 118.16 122.19 2avg n LYS 45 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2avg n LYS 45 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.84 0.00 -2.89 2.13 4.27 -1.26 -4.92 117.44 113.94 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 0.14 0.01 0.02 0.00 -1.36 0.00 0.00 31.31 30.12 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 3.39 0.17 -1.67 1.01 -1.05 -4.95 120.40 117.30 2avg s VAL 47 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.42 2avg s VAL 47 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2avg s VAL 47 CO 0.00 -0.16 -0.08 -0.62 0.00 0.00 0.00 175.10 174.24 2avg s ASP 48 N -4.31 4.33 -0.15 3.32 -1.08 -1.26 -0.39 116.67 117.12 2avg s ASP 48 Ca 0.52 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2avg s ASP 48 Cb -0.10 -0.77 -0.23 0.00 -1.46 0.00 0.00 42.92 40.36 2avg s ASP 48 CO 0.37 0.11 0.22 0.18 0.52 0.00 0.00 175.17 176.56 2avg n LEU 49 N 0.07 2.30 0.33 -1.34 4.32 -1.26 -4.26 117.00 117.15 2avg n LEU 49 Ca -0.11 0.12 0.21 0.00 -0.02 0.00 0.00 56.01 56.21 2avg n LEU 49 Cb 0.55 -0.77 1.11 0.00 -1.62 0.00 0.00 43.42 42.69 2avg n LEU 49 CO 0.35 0.79 1.17 -1.28 -1.22 0.00 0.00 177.39 177.20 2avg h SER 50 N 0.04 0.00 0.62 -1.43 0.87 -1.95 0.91 113.55 112.61 2avg h SER 50 Ca -0.46 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.83 2avg h SER 50 Cb 2.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.95 2avg h SER 50 CO 0.03 0.00 -1.41 0.28 -0.53 0.00 0.00 176.83 175.20 2avg h SER 51 N 0.00 0.18 0.00 6.23 0.02 -2.00 -3.39 113.55 114.60 2avg h SER 51 Ca 0.01 -0.26 -0.16 0.00 -0.84 0.00 0.00 61.79 60.54 2avg h SER 51 Cb 0.12 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2avg h SER 51 CO -0.00 1.21 -1.94 0.29 -1.14 0.00 0.00 176.83 175.25 2avg n LYS 52 N -3.33 1.01 -1.49 3.45 4.76 0.25 -4.88 118.16 117.93 2avg n LYS 52 Ca -0.12 -0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.05 2avg n LYS 52 Cb 1.01 -1.40 -0.20 0.00 -1.84 0.00 0.00 35.03 32.60 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 -2.36 0.00 0.00 -0.18 0.31 0.21 -4.30 118.33 112.02 2avg n VAL 53 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2avg n VAL 53 Cb 0.75 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 5.67 2.10 0.08 2.92 0.00 0.35 -4.88 105.19 111.44 2avg n GLY 54 Ca 0.63 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 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 0.02 0.09 1.61 4.15 -1.96 -3.26 115.11 115.77 2avg h GLN 55 Ca 0.00 -0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.03 2avg h GLN 55 Cb 0.00 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2avg h GLN 55 CO 0.00 0.59 -1.92 -2.39 -1.93 0.00 0.00 178.83 173.18 2avg n HIS 56 N -3.11 1.20 -3.90 3.99 1.44 -1.26 -4.69 115.22 108.89 2avg n HIS 56 Ca -0.17 0.29 -0.30 0.00 -2.01 0.00 0.00 57.72 55.53 2avg n HIS 56 Cb 1.04 -1.17 -0.15 0.00 0.12 0.00 0.00 29.99 29.83 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 -6.78 2.81 -0.34 2.39 0.20 -1.24 0.02 118.68 115.74 2avg s LEU 57 Ca -0.17 -1.42 -0.16 0.00 0.69 0.00 0.00 54.13 53.07 2avg s LEU 57 Cb 0.07 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.65 2avg s LEU 57 CO 0.79 -0.30 0.42 -1.10 -0.29 0.00 0.00 176.35 175.86 2avg s GLN 58 N 1.38 3.61 -0.76 1.98 1.11 0.12 0.13 119.66 127.23 2avg s GLN 58 Ca 0.00 -0.30 -0.15 0.00 0.01 0.00 0.00 55.36 54.93 2avg s GLN 58 Cb -0.18 -3.80 0.20 0.00 -1.01 0.00 0.00 33.01 28.21 2avg s GLN 58 CO -0.10 -0.55 0.71 -1.17 0.01 0.00 0.00 175.29 174.19 2avg s LEU 59 N 2.15 6.59 0.62 2.90 0.20 -1.26 0.34 118.68 130.23 2avg s LEU 59 Ca 0.14 -2.46 -0.10 0.00 0.69 0.00 0.00 54.13 52.41 2avg s LEU 59 Cb -0.16 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2avg s LEU 59 CO 0.12 -0.65 1.00 -1.00 -0.29 0.00 0.00 176.35 175.53 2avg s HIS 60 N 0.56 3.49 -0.17 5.38 3.76 0.12 -4.88 115.29 123.56 2avg s HIS 60 Ca 0.15 1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 56.11 2avg s HIS 60 Cb -0.15 -2.77 0.05 0.00 1.11 0.00 0.00 32.58 30.82 2avg s HIS 60 CO -0.06 -0.79 0.01 0.16 -0.85 0.00 0.00 174.74 173.20 2avg s ASP 61 N -4.24 2.71 0.15 1.40 -4.77 -1.26 -1.66 116.67 109.01 2avg s ASP 61 Ca 0.55 -0.68 -0.07 0.00 -3.30 0.00 0.00 52.55 49.05 2avg s ASP 61 Cb -0.11 -0.67 -0.06 0.00 -1.09 0.00 0.00 42.92 40.99 2avg s ASP 61 CO 0.51 -0.26 0.43 -0.44 0.70 0.00 0.00 175.17 176.11 2avg s SER 62 N 1.80 6.56 -0.31 2.11 0.01 0.24 -4.90 113.70 119.22 2avg s SER 62 Ca 0.00 0.73 -0.03 0.00 1.31 0.00 0.00 55.95 57.96 2avg s SER 62 Cb -0.16 -2.15 0.11 0.00 0.21 0.00 0.00 66.02 64.03 2avg s SER 62 CO -0.07 0.05 0.15 -0.47 0.41 0.00 0.00 173.24 173.30 2avg s TYR 63 N -1.64 0.49 -0.20 2.43 5.04 -1.26 -0.58 117.35 121.64 2avg s TYR 63 Ca 0.41 -1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 53.93 2avg s TYR 63 Cb -0.12 -0.95 0.00 0.00 0.35 0.00 0.00 41.96 41.24 2avg s TYR 63 CO 0.22 -0.83 -0.12 0.34 -1.34 0.00 0.00 175.55 173.82 2avg s ASP 64 N 1.84 3.76 0.04 4.32 -1.08 -0.40 -4.99 116.67 120.16 2avg s ASP 64 Ca 0.11 -0.50 -0.03 0.00 -0.52 0.00 0.00 52.55 51.61 2avg s ASP 64 Cb -0.18 -1.62 -0.27 0.00 -1.46 0.00 0.00 42.92 39.39 2avg s ASP 64 CO -0.28 -0.00 0.99 -0.09 0.52 0.00 0.00 175.17 176.30 2avg h ARG 65 N 7.96 0.24 0.00 4.34 1.12 -1.94 0.19 114.38 126.29 2avg h ARG 65 Ca -0.43 -0.40 -0.06 0.00 -1.11 0.00 0.00 59.98 57.98 2avg h ARG 65 Cb 1.15 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 2avg h ARG 65 CO 0.62 1.13 -0.28 0.00 -3.11 0.00 0.00 179.97 178.33 2avg h ALA 66 N 0.57 1.40 0.00 2.80 0.00 -1.95 -0.60 119.26 121.47 2avg h ALA 66 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2avg h ALA 66 Cb 1.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2avg h ALA 66 CO 0.17 0.35 -1.27 0.45 0.00 0.00 0.00 179.25 178.95 2avg n SER 67 N -4.00 0.53 -2.97 0.00 2.88 -1.23 -4.96 113.62 103.86 2avg n SER 67 Ca -0.02 -0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.31 2avg n SER 67 Cb 0.34 1.01 0.05 0.00 -0.75 0.00 0.00 64.21 64.86 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 -2.25 -5.63 -4.59 -1.46 4.81 0.22 -4.92 118.16 104.34 2avg n LYS 68 Ca -0.00 0.79 -0.24 0.00 -0.87 0.00 0.00 58.31 57.99 2avg n LYS 68 Cb 0.50 -5.52 -0.16 0.00 0.02 0.00 0.00 35.03 29.87 2avg n LYS 68 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2avg s VAL 69 N -3.19 1.13 -0.51 3.15 1.01 0.41 0.70 120.40 123.10 2avg s VAL 69 Ca 0.38 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2avg s VAL 69 Cb -0.17 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.25 2avg s VAL 69 CO 0.47 0.35 0.60 -0.31 0.00 0.00 0.00 175.10 176.21 2avg s TYR 70 N 0.53 3.07 -0.49 5.22 2.02 0.18 -1.28 117.35 126.60 2avg s TYR 70 Ca -0.12 -0.61 -0.18 0.00 -0.37 0.00 0.00 57.07 55.80 2avg s TYR 70 Cb -0.14 -3.52 0.07 0.00 -0.40 0.00 0.00 41.96 37.97 2avg s TYR 70 CO 0.03 -1.02 0.54 -1.17 -1.57 0.00 0.00 175.55 172.36 2avg s LEU 71 N 2.51 5.24 -0.36 -1.29 2.96 0.26 -1.26 118.68 126.73 2avg s LEU 71 Ca 0.14 -1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 52.71 2avg s LEU 71 Cb -0.20 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.16 2avg s LEU 71 CO 0.11 -0.80 0.87 -0.36 -1.32 0.00 0.00 176.35 174.85 2avg s PHE 72 N 2.23 3.10 -0.25 5.38 0.40 0.15 0.83 117.98 129.83 2avg s PHE 72 Ca 0.11 0.71 -0.07 0.00 -0.60 0.00 0.00 56.93 57.08 2avg s PHE 72 Cb -0.21 -3.54 -0.02 0.00 0.51 0.00 0.00 43.02 39.75 2avg s PHE 72 CO 0.10 -0.78 0.05 -1.21 0.70 0.00 0.00 175.22 174.08 2avg s GLU 73 N 3.32 3.60 -0.25 0.44 2.02 -0.66 -1.22 118.70 125.94 2avg s GLU 73 Ca 0.36 -0.51 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 2avg s GLU 73 Cb -0.12 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2avg s GLU 73 CO 0.18 -0.20 0.49 -0.51 0.02 0.00 0.00 175.26 175.24 2avg s LEU 74 N 1.59 4.07 -0.49 1.80 2.01 0.06 0.15 118.68 127.87 2avg s LEU 74 Ca 0.06 0.51 -0.01 0.00 0.01 0.00 0.00 54.13 54.70 2avg s LEU 74 Cb -0.15 -2.63 0.13 0.00 0.01 0.00 0.00 46.19 43.55 2avg s LEU 74 CO 0.03 -0.25 0.27 -1.00 1.01 0.00 0.00 176.35 176.41 2avg s HIS 75 N 2.13 3.50 -0.33 0.29 3.76 0.15 -2.79 115.29 122.00 2avg s HIS 75 Ca 0.21 -2.69 0.04 0.00 -0.15 0.00 0.00 55.06 52.46 2avg s HIS 75 Cb -0.16 -3.13 0.10 0.00 1.11 0.00 0.00 32.58 30.50 2avg s HIS 75 CO 0.09 -0.90 0.04 0.42 -0.85 0.00 0.00 174.74 173.55 2avg s ILE 76 N 0.53 2.20 0.25 0.60 1.01 -0.54 0.13 121.20 125.37 2avg s ILE 76 Ca 0.13 -2.25 0.07 0.00 0.00 0.00 0.00 60.65 58.59 2avg s ILE 76 Cb -0.22 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2avg s ILE 76 CO -0.04 -0.57 0.22 0.42 0.00 0.00 0.00 174.94 174.98 2avg s THR 77 N 0.95 4.59 -0.65 2.92 -4.23 0.10 0.90 115.64 120.22 2avg s THR 77 Ca 0.10 -1.32 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 2avg s THR 77 Cb -0.19 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.19 2avg s THR 77 CO -0.09 -0.34 0.64 0.47 -0.54 0.00 0.00 174.62 174.77 2avg n ASP 78 N -1.19 -6.40 -4.68 3.99 8.00 0.22 -4.71 116.55 111.78 2avg n ASP 78 Ca -0.08 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 2avg n ASP 78 Cb 0.58 -3.39 -0.03 0.00 -0.02 0.00 0.00 41.12 38.26 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 -2.59 3.66 0.32 2.24 0.00 -1.26 -4.72 121.76 119.40 2avg s ALA 79 Ca 0.13 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 2avg s ALA 79 Cb -0.02 -3.71 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 2avg s ALA 79 CO 0.83 -1.19 1.55 -1.14 0.00 0.00 0.00 175.76 175.81 2avg s GLN 80 N 3.07 4.12 0.00 0.00 2.00 -1.26 -3.91 119.66 123.69 2avg s GLN 80 Ca 0.74 2.57 0.08 0.00 -2.00 0.00 0.00 55.36 56.75 2avg s GLN 80 Cb -0.38 -3.00 0.42 0.00 0.80 0.00 0.00 33.01 30.85 2avg s GLN 80 CO 0.32 -0.59 1.03 -0.35 -0.50 0.00 0.00 175.29 175.20 2avg n PRO 81 N 1.52 0.17 -0.25 1.67 -0.04 -1.26 -1.10 135.00 135.70 2avg n PRO 81 Ca 0.05 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 2avg n PRO 81 Cb 0.38 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.17 2.42 0.04 0.55 0.00 -1.26 -4.54 120.51 116.55 2avg n ALA 82 Ca 0.05 -1.49 -0.19 0.00 0.00 0.00 0.00 53.44 51.81 2avg n ALA 82 Cb 0.05 -0.51 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 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 1.92 0.48 -2.32 0.00 0.04 -1.46 -3.43 116.94 112.17 2avg h PHE 83 Ca 0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 2avg h PHE 83 Cb 0.94 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2avg h PHE 83 CO 0.31 1.53 0.00 2.41 -0.60 0.00 0.00 178.31 181.95 2avg n THR 84 N -3.45 0.00 -1.35 -1.55 -1.04 -1.23 0.85 114.28 106.51 2avg n THR 84 Ca -0.23 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.25 2avg n THR 84 Cb 1.05 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.49 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 -0.19 -0.02 2.44 3.41 0.00 0.37 -3.28 105.19 107.92 2avg n GLY 85 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 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 2.37 4.59 3.59 -0.02 0.00 -1.21 -1.65 105.19 112.87 2avg n GLY 86 Ca 0.22 -2.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 -2.40 2.34 -0.37 1.61 1.51 -0.71 -3.56 117.35 115.76 2avg s TYR 87 Ca 0.40 0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 57.02 2avg s TYR 87 Cb 0.17 -4.33 0.06 0.00 -0.11 0.00 0.00 41.96 37.76 2avg s TYR 87 CO -0.04 -2.00 0.17 1.03 -1.11 0.00 0.00 175.55 173.59 2avg s ARG 88 N 5.15 2.52 -0.33 -0.62 0.52 -0.15 -2.83 118.95 123.22 2avg s ARG 88 Ca 0.60 -1.37 -0.20 0.00 -0.52 0.00 0.00 55.73 54.24 2avg s ARG 88 Cb -0.13 -3.57 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 2avg s ARG 88 CO 0.31 -0.82 0.61 0.00 0.02 0.00 0.00 175.30 175.42 2avg s GLU 90 N 2.61 1.51 0.04 0.00 2.02 -0.49 -0.36 118.70 124.02 2avg s GLU 90 Ca 0.24 -1.55 -0.10 0.00 0.02 0.00 0.00 54.97 53.58 2avg s GLU 90 Cb -0.15 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 2avg s GLU 90 CO 0.13 -0.84 0.36 0.54 0.02 0.00 0.00 175.26 175.47 2avg s VAL 91 N 1.11 5.15 -0.19 2.63 0.11 -0.40 -2.09 120.40 126.71 2avg s VAL 91 Ca 0.05 0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 59.52 2avg s VAL 91 Cb -0.19 -3.63 0.07 0.00 -1.53 0.00 0.00 36.38 31.10 2avg s VAL 91 CO -0.10 0.38 0.11 -0.55 -3.33 0.00 0.00 175.10 171.61 2avg s SER 92 N -1.56 2.47 0.07 3.54 0.15 0.15 -2.93 113.70 115.58 2avg s SER 92 Ca 0.29 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 56.28 2avg s SER 92 Cb -0.14 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2avg s SER 92 CO 0.16 -0.36 -0.10 -0.89 1.20 0.00 0.00 173.24 173.25 2avg s THR 93 N 2.15 0.81 0.00 6.45 2.01 -0.69 -2.85 115.64 123.51 2avg s THR 93 Ca 0.03 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2avg s THR 93 Cb -0.16 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2avg s THR 93 CO -0.14 -0.43 0.00 2.29 -0.69 0.00 0.00 174.62 175.65 2avg n LYS 94 N 1.05 0.00 0.00 4.92 -0.00 -1.26 0.15 118.16 123.02 2avg n LYS 94 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 2avg n LYS 94 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 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 -4.67 -5.58 2.03 -1.26 -5.06 116.55 102.01 2avg n ASP 95 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 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 4.22 -0.06 -0.67 1.02 0.12 -1.20 119.74 123.17 2avg s LYS 96 Ca 0.00 0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.50 2avg s LYS 96 Cb 0.00 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2avg s LYS 96 CO 0.00 -0.14 -0.08 0.12 -0.92 0.00 0.00 175.35 174.33 2avg s PHE 97 N 1.61 1.15 -0.04 3.18 5.36 -1.26 -1.71 117.98 126.26 2avg s PHE 97 Ca 0.26 -0.42 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 2avg s PHE 97 Cb -0.16 -0.93 0.01 0.00 -0.34 0.00 0.00 43.02 41.61 2avg s PHE 97 CO 0.10 -0.28 0.11 -0.51 -1.46 0.00 0.00 175.22 173.18 2avg s ASP 98 N 0.97 -0.12 0.02 6.13 1.01 -1.15 -4.97 116.67 118.56 2avg s ASP 98 Ca -0.10 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.42 2avg s ASP 98 Cb -0.15 0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.99 2avg s ASP 98 CO 0.00 -0.04 -0.08 0.00 0.21 0.00 0.00 175.17 175.26 2avg s SER 100 N -0.92 1.52 -0.22 0.00 1.04 0.52 -4.97 113.70 110.66 2avg s SER 100 Ca -0.03 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 2avg s SER 100 Cb -0.06 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2avg s SER 100 CO 0.00 -0.06 -0.06 0.54 0.98 0.00 0.00 173.24 174.65 2avg s ASN 101 N 1.14 4.21 -0.01 7.02 6.03 -1.26 -1.31 114.94 130.77 2avg s ASN 101 Ca -0.07 -0.50 -0.05 0.00 -1.03 0.00 0.00 52.86 51.21 2avg s ASN 101 Cb -0.14 -1.71 0.00 0.00 -3.03 0.00 0.00 41.25 36.37 2avg s ASN 101 CO -0.01 -0.04 0.11 0.72 -2.03 0.00 0.00 177.10 175.84 2avg s PHE 102 N 1.44 0.02 0.11 1.54 -0.71 -1.13 -4.88 117.98 114.37 2avg s PHE 102 Ca 0.05 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.91 2avg s PHE 102 Cb -0.15 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 2avg s PHE 102 CO -0.04 -0.21 0.14 0.54 -1.34 0.00 0.00 175.22 174.31 2avg s ASN 103 N -0.97 5.75 -0.39 1.98 2.20 -1.24 -1.74 114.94 120.52 2avg s ASN 103 Ca -0.11 0.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.84 2avg s ASN 103 Cb -0.06 -1.60 0.11 0.00 -2.00 0.00 0.00 41.25 37.70 2avg s ASN 103 CO 0.01 0.13 0.15 -0.22 -2.94 0.00 0.00 177.10 174.23 2avg s LEU 104 N -2.68 5.03 -0.81 3.54 2.96 -0.66 -0.75 118.68 125.31 2avg s LEU 104 Ca 0.31 -2.14 -0.25 0.00 -0.22 0.00 0.00 54.13 51.83 2avg s LEU 104 Cb -0.12 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.87 2avg s LEU 104 CO 0.24 -0.46 1.28 -0.89 -1.32 0.00 0.00 176.35 175.20 2avg s THR 105 N 0.96 3.89 -0.41 3.68 2.01 0.43 0.14 115.64 126.33 2avg s THR 105 Ca 0.10 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 2avg s THR 105 Cb -0.21 -4.92 0.02 0.00 0.01 0.00 0.00 72.50 67.40 2avg s THR 105 CO -0.06 -1.82 1.06 0.54 -0.69 0.00 0.00 174.62 173.66 2avg s VAL 106 N 5.20 4.38 -0.77 3.82 0.11 -1.24 -1.13 120.40 130.77 2avg s VAL 106 Ca 0.36 1.31 -0.26 0.00 -2.93 0.00 0.00 61.98 60.46 2avg s VAL 106 Cb -0.07 -4.49 0.02 0.00 -1.53 0.00 0.00 36.38 30.31 2avg s VAL 106 CO 0.07 -0.77 1.45 -1.00 -3.33 0.00 0.00 175.10 171.53 2avg s HIS 107 N 3.99 2.17 0.00 1.54 3.76 0.36 -4.80 115.29 122.32 2avg s HIS 107 Ca 0.44 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 2avg s HIS 107 Cb -0.10 -4.51 0.00 0.00 1.11 0.00 0.00 32.58 29.09 2avg s HIS 107 CO 0.24 -2.09 0.00 -1.91 -0.85 0.00 0.00 174.74 170.14 2avg n GLU 108 N 9.24 0.00 -3.18 1.40 2.13 -1.26 -1.06 120.64 127.90 2avg n GLU 108 Ca 0.13 0.11 -0.20 0.00 0.66 0.00 0.00 57.16 57.86 2avg n GLU 108 Cb 0.50 -0.48 0.04 0.00 0.27 0.00 0.00 31.44 31.77 2avg n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2avg s ALA 109 N -3.88 4.64 -2.82 4.31 0.00 -1.26 -4.89 121.76 117.85 2avg s ALA 109 Ca 0.00 -1.96 0.25 0.00 0.00 0.00 0.00 51.96 50.25 2avg s ALA 109 Cb 0.00 -1.35 0.49 0.00 0.00 0.00 0.00 23.12 22.26 2avg s ALA 109 CO 0.00 -0.72 1.43 0.00 0.00 0.00 0.00 175.76 176.47