#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 2.84 -0.82 -1.12 1.01 -1.26 -4.87 116.67 112.44 2avg s ASP 2 Ca 0.00 1.03 -0.21 0.00 0.71 0.00 0.00 52.55 54.08 2avg s ASP 2 Cb 0.00 -1.62 -0.14 0.00 1.01 0.00 0.00 42.92 42.16 2avg s ASP 2 CO 0.00 -2.98 1.95 -2.65 0.21 0.00 0.00 175.17 171.70 2avg n PRO 3 N -4.05 1.61 -0.10 8.23 -0.02 -1.26 -4.39 135.00 135.02 2avg n PRO 3 Ca 0.06 -1.90 -0.16 0.00 -2.02 0.00 0.00 63.50 59.48 2avg n PRO 3 Cb 0.58 -2.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.05 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 5.92 1.49 -1.75 4.25 -0.00 -1.26 -5.02 119.36 123.00 2avg n ILE 4 Ca 0.50 0.02 0.00 0.00 -0.00 0.00 0.00 62.75 63.27 2avg n ILE 4 Cb 0.40 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 37.87 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 1.47 0.70 0.38 7.39 0.00 -1.26 -4.89 105.19 108.97 2avg n GLY 5 Ca -0.25 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 0.58 -7.78 0.99 5.85 -1.91 -2.59 115.31 110.44 2avg h LEU 6 Ca 0.00 0.04 -0.75 0.00 0.84 0.00 0.00 57.88 58.01 2avg h LEU 6 Cb 0.78 -0.07 -0.22 0.00 0.37 0.00 0.00 40.66 41.52 2avg h LEU 6 CO 0.00 0.27 0.68 -0.36 -0.34 0.00 0.00 178.44 178.69 2avg s PHE 7 N -5.60 3.66 -0.01 1.25 0.40 -1.26 -1.83 117.98 114.59 2avg s PHE 7 Ca -0.09 -2.04 -0.24 0.00 -0.60 0.00 0.00 56.93 53.95 2avg s PHE 7 Cb 0.22 -4.06 -0.19 0.00 0.51 0.00 0.00 43.02 39.50 2avg s PHE 7 CO 0.79 -1.21 1.28 0.28 0.70 0.00 0.00 175.22 177.06 2avg h VAL 8 N 4.75 1.38 -3.30 -0.44 2.07 -0.67 -3.45 116.25 116.60 2avg h VAL 8 Ca 0.19 -1.20 -0.22 0.00 0.82 0.00 0.00 66.70 66.28 2avg h VAL 8 Cb 0.96 2.11 -0.30 0.00 -1.52 0.00 0.00 31.29 32.54 2avg h VAL 8 CO 1.02 0.32 -0.58 -0.32 0.02 0.00 0.00 177.57 178.04 2avg s MET 9 N -4.24 0.12 -0.16 1.57 -2.45 -0.84 -4.98 119.30 108.32 2avg s MET 9 Ca -0.15 0.31 -0.06 0.00 -1.25 0.00 0.00 55.69 54.53 2avg s MET 9 Cb 0.02 -0.08 -0.04 0.00 1.25 0.00 0.00 34.83 35.98 2avg s MET 9 CO 0.70 -0.11 0.06 -0.98 1.05 0.00 0.00 175.02 175.73 2avg s ARG 10 N 0.77 3.75 0.64 4.11 1.70 -1.26 -0.67 118.95 127.99 2avg s ARG 10 Ca -0.06 -0.33 -0.17 0.00 -0.47 0.00 0.00 55.73 54.70 2avg s ARG 10 Cb -0.08 -3.14 -0.01 0.00 -0.57 0.00 0.00 34.95 31.16 2avg s ARG 10 CO -0.04 0.41 1.21 -1.25 -1.08 0.00 0.00 175.30 174.55 2avg s PRO 11 N -0.01 2.68 0.48 3.89 0.04 -1.06 -4.94 135.00 136.07 2avg s PRO 11 Ca 0.06 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.92 2avg s PRO 11 Cb -0.12 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2avg s PRO 11 CO 0.01 -1.43 0.02 -0.65 0.04 0.00 0.00 177.00 174.99 2avg s GLN 12 N -3.57 2.11 0.00 4.56 -1.52 -1.26 -4.74 119.66 115.24 2avg s GLN 12 Ca 0.76 -2.31 0.00 0.00 -1.95 0.00 0.00 55.36 51.86 2avg s GLN 12 Cb -0.30 -1.45 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2avg s GLN 12 CO 0.38 -0.31 0.00 -0.25 -0.25 0.00 0.00 175.29 174.86 2avg n ASP 13 N -1.20 0.00 0.00 5.90 9.92 -1.26 -4.69 116.55 125.22 2avg n ASP 13 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 2avg n ASP 13 Cb 0.67 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 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 2.06 3.84 3.22 0.44 0.00 -0.14 -4.85 105.19 109.76 2avg n GLY 14 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.31 2.87 0.14 1.61 2.02 -1.26 -0.22 118.70 122.55 2avg s GLU 15 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2avg s GLU 15 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2avg s GLU 15 CO 0.00 -0.41 -0.01 0.14 0.02 0.00 0.00 175.26 175.00 2avg s VAL 16 N 1.35 0.58 0.22 2.63 -7.23 -0.22 -4.94 120.40 112.80 2avg s VAL 16 Ca 0.00 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2avg s VAL 16 Cb -0.17 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 2avg s VAL 16 CO -0.03 -0.60 0.48 -0.89 -0.31 0.00 0.00 175.10 173.75 2avg s THR 17 N -3.72 5.07 -0.48 5.32 2.01 -1.26 0.11 115.64 122.68 2avg s THR 17 Ca 0.20 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.01 2avg s THR 17 Cb 0.06 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2avg s THR 17 CO 0.01 -0.15 1.56 0.54 -0.69 0.00 0.00 174.62 175.89 2avg s VAL 18 N -1.88 3.69 0.00 3.82 0.11 -0.95 -1.53 120.40 123.66 2avg s VAL 18 Ca 0.43 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.11 2avg s VAL 18 Cb -0.11 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2avg s VAL 18 CO 0.26 -0.87 0.00 0.61 -3.33 0.00 0.00 175.10 171.78 2avg n GLY 19 N 5.31 0.27 0.00 6.54 0.00 -1.26 -4.98 105.19 111.07 2avg n GLY 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2avg n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avg n GLY 20 N 0.00 0.51 3.56 -0.02 0.00 -0.58 -4.76 105.19 103.89 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 -0.06 -0.01 1.61 1.04 -1.26 0.24 113.70 114.25 2avg s SER 21 Ca 0.00 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 2avg s SER 21 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2avg s SER 21 CO 0.00 -1.12 0.23 -0.51 0.98 0.00 0.00 173.24 172.82 2avg s ILE 22 N -4.02 0.07 -0.03 -1.02 1.10 0.11 -4.78 121.20 112.63 2avg s ILE 22 Ca 0.24 -0.54 -0.00 0.00 -0.51 0.00 0.00 60.65 59.83 2avg s ILE 22 Cb -0.00 -0.51 0.03 0.00 0.15 0.00 0.00 42.46 42.12 2avg s ILE 22 CO 0.09 -0.30 0.02 -0.89 -2.11 0.00 0.00 174.94 171.75 2avg s THR 23 N -1.26 0.05 0.13 4.00 2.01 -1.26 -1.73 115.64 117.59 2avg s THR 23 Ca -0.13 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2avg s THR 23 Cb -0.06 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2avg s THR 23 CO 0.03 0.13 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.53 2avg s PHE 24 N 1.20 1.79 -0.03 4.92 0.08 -0.97 -4.91 117.98 120.06 2avg s PHE 24 Ca -0.07 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 2avg s PHE 24 Cb -0.13 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2avg s PHE 24 CO -0.03 0.26 0.06 -1.12 -0.10 0.00 0.00 175.22 174.30 2avg s SER 25 N -2.29 0.46 -0.16 1.36 0.01 -1.26 0.00 113.70 111.81 2avg s SER 25 Ca 0.11 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.48 2avg s SER 25 Cb -0.08 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.12 2avg s SER 25 CO 0.05 -0.18 -0.19 0.00 0.41 0.00 0.00 173.24 173.33 2avg s ALA 26 N 1.53 2.20 -0.27 1.44 0.00 0.45 -2.55 121.76 124.55 2avg s ALA 26 Ca -0.03 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 2avg s ALA 26 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 2avg s ALA 26 CO -0.03 -0.29 0.06 1.03 0.00 0.00 0.00 175.76 176.53 2avg s ARG 27 N 1.24 3.31 -0.09 0.00 0.52 0.16 0.11 118.95 124.19 2avg s ARG 27 Ca 0.03 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2avg s ARG 27 Cb -0.13 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2avg s ARG 27 CO -0.10 -0.33 -0.23 0.08 0.02 0.00 0.00 175.30 174.73 2avg s VAL 28 N 1.54 1.97 -0.26 3.52 1.01 -0.12 -1.05 120.40 127.00 2avg s VAL 28 Ca 0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 2avg s VAL 28 Cb -0.16 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2avg s VAL 28 CO 0.02 0.54 2.19 0.00 0.00 0.00 0.00 175.10 177.86 2avg s ALA 29 N 0.32 2.64 -0.19 5.51 0.00 -0.76 0.93 121.76 130.21 2avg s ALA 29 Ca -0.17 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 2avg s ALA 29 Cb -0.17 -4.10 0.14 0.00 0.00 0.00 0.00 23.12 18.99 2avg s ALA 29 CO 0.08 -2.94 1.90 0.41 0.00 0.00 0.00 175.76 175.22 2avg n GLY 30 N 5.76 3.37 2.06 0.00 0.00 0.12 -4.64 105.19 111.86 2avg n GLY 30 Ca 0.30 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2avg n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avg n ALA 31 N 0.69 -1.97 -2.70 4.61 0.00 -1.26 -4.83 120.51 115.05 2avg n ALA 31 Ca 0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2avg n ALA 31 Cb 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.94 7.21 0.36 0.00 0.15 -1.26 -4.92 113.70 113.31 2avg s SER 32 Ca 0.25 1.48 -0.13 0.00 0.70 0.00 0.00 55.95 58.25 2avg s SER 32 Cb -0.04 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2avg s SER 32 CO 0.21 -0.32 0.71 -1.48 1.20 0.00 0.00 173.24 173.55 2avg s LEU 33 N 1.47 0.22 0.10 3.45 -0.00 -1.26 -5.05 118.68 117.61 2avg s LEU 33 Ca 0.47 -1.17 -0.24 0.00 -0.00 0.00 0.00 54.13 53.19 2avg s LEU 33 Cb -0.19 2.51 -0.12 0.00 -0.00 0.00 0.00 46.19 48.38 2avg s LEU 33 CO 0.21 -1.56 1.71 0.25 -0.00 0.00 0.00 176.35 176.96 2avg h LEU 34 N 2.03 -0.18 -7.46 1.48 5.85 -1.95 -3.44 115.31 111.63 2avg h LEU 34 Ca -0.30 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 2avg h LEU 34 Cb 1.25 0.07 -0.20 0.00 0.37 0.00 0.00 40.66 42.14 2avg h LEU 34 CO 0.39 -0.10 -0.24 -1.59 -0.34 0.00 0.00 178.44 176.56 2avg s LYS 35 N -6.17 0.69 0.34 1.25 0.00 -1.26 -5.09 119.74 109.50 2avg s LYS 35 Ca -0.14 -0.11 -0.24 0.00 0.00 0.00 0.00 55.97 55.48 2avg s LYS 35 Cb 0.07 0.31 -0.15 0.00 0.00 0.00 0.00 37.83 38.06 2avg s LYS 35 CO 0.66 -0.19 0.44 -2.30 0.00 0.00 0.00 175.35 173.97 2avg n PRO 36 N 1.34 0.31 -1.59 1.78 -0.02 -1.26 -4.55 135.00 131.02 2avg n PRO 36 Ca -0.21 0.11 -0.50 0.00 -2.02 0.00 0.00 63.50 60.89 2avg n PRO 36 Cb 0.56 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.94 1.21 -3.44 0.52 -0.04 -1.26 -4.91 135.00 128.02 2avg n PRO 37 Ca 0.13 0.43 -0.44 0.00 -0.04 0.00 0.00 63.50 63.59 2avg n PRO 37 Cb 0.35 -1.98 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 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 0.04 5.07 -0.29 0.52 1.01 -1.09 -4.95 120.40 120.71 2avg s VAL 38 Ca 0.77 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2avg s VAL 38 Cb -0.87 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 31.52 2avg s VAL 38 CO 0.50 -0.52 0.07 -0.69 0.00 0.00 0.00 175.10 174.46 2avg s VAL 39 N 1.61 3.82 -0.21 2.92 1.01 -1.26 0.23 120.40 128.52 2avg s VAL 39 Ca 0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2avg s VAL 39 Cb -0.23 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2avg s VAL 39 CO 0.06 0.07 0.10 -1.59 0.00 0.00 0.00 175.10 173.74 2avg s LYS 40 N 1.47 3.99 0.40 2.72 0.00 -0.93 -4.95 119.74 122.44 2avg s LYS 40 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 55.97 55.57 2avg s LYS 40 Cb -0.17 -3.35 -0.06 0.00 0.00 0.00 0.00 37.83 34.25 2avg s LYS 40 CO 0.02 0.16 0.75 -1.58 0.00 0.00 0.00 175.35 174.69 2avg s TRP 41 N 0.72 3.48 -0.02 1.78 0.52 -1.26 -1.57 118.94 122.60 2avg s TRP 41 Ca 0.05 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.16 2avg s TRP 41 Cb -0.13 -2.38 0.01 0.00 -1.15 0.00 0.00 33.47 29.81 2avg s TRP 41 CO 0.02 -0.10 -0.06 0.12 0.02 0.00 0.00 176.95 176.95 2avg s PHE 42 N -2.39 0.70 0.48 -1.98 5.36 0.16 -4.43 117.98 115.89 2avg s PHE 42 Ca 0.50 -0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.38 2avg s PHE 42 Cb -0.10 -0.52 0.03 0.00 -0.34 0.00 0.00 43.02 42.08 2avg s PHE 42 CO 0.33 -0.08 0.66 0.21 -1.46 0.00 0.00 175.22 174.88 2avg s LYS 43 N 0.25 2.63 0.00 10.12 2.20 0.80 -0.35 119.74 135.40 2avg s LYS 43 Ca -0.03 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2avg s LYS 43 Cb -0.08 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 2avg s LYS 43 CO 0.00 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2avg n GLY 44 N -2.05 0.00 0.00 5.54 0.00 -1.23 -3.46 105.19 103.98 2avg n GLY 44 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.23 -2.46 118.16 122.56 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 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2avg n LYS 45 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2avg n TRP 46 N -1.00 0.00 -3.05 2.13 4.27 -1.26 -4.88 117.44 113.65 2avg n TRP 46 Ca 0.00 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.38 2avg n TRP 46 Cb 0.38 0.02 0.01 0.00 -1.36 0.00 0.00 31.31 30.35 2avg n TRP 46 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2avg s VAL 47 N 0.00 4.19 0.22 -1.67 1.01 -1.03 -4.95 120.40 118.17 2avg s VAL 47 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2avg s VAL 47 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2avg s VAL 47 CO 0.00 -0.38 0.06 1.51 0.00 0.00 0.00 175.10 176.29 2avg s ASP 48 N -4.19 4.94 -0.19 3.32 -4.77 -1.26 -0.14 116.67 114.38 2avg s ASP 48 Ca 0.47 -0.42 0.17 0.00 -3.30 0.00 0.00 52.55 49.47 2avg s ASP 48 Cb -0.10 -1.09 -0.25 0.00 -1.09 0.00 0.00 42.92 40.40 2avg s ASP 48 CO 0.38 0.03 0.11 0.18 0.70 0.00 0.00 175.17 176.56 2avg n LEU 49 N -0.64 0.09 0.30 2.11 4.32 -1.26 -4.48 117.00 117.44 2avg n LEU 49 Ca -0.08 0.03 0.19 0.00 -0.02 0.00 0.00 56.01 56.12 2avg n LEU 49 Cb 0.57 0.46 0.98 0.00 -1.62 0.00 0.00 43.42 43.81 2avg n LEU 49 CO 0.41 0.50 1.16 -1.28 -1.22 0.00 0.00 177.39 176.95 2avg h SER 50 N 0.00 0.00 0.00 -1.43 0.87 -1.96 0.49 113.55 111.52 2avg h SER 50 Ca -0.53 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.65 2avg h SER 50 Cb 2.23 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 64.12 2avg h SER 50 CO 0.03 0.00 -2.44 -0.24 -0.53 0.00 0.00 176.83 173.65 2avg n SER 51 N -3.23 1.22 0.01 6.23 2.88 -1.26 -4.61 113.62 114.85 2avg n SER 51 Ca -0.01 -0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 2avg n SER 51 Cb 0.24 0.13 -0.14 0.00 -0.75 0.00 0.00 64.21 63.70 2avg n SER 51 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2avg h LYS 52 N 0.00 0.06 -4.11 -1.46 1.79 -0.49 -3.44 116.57 108.93 2avg h LYS 52 Ca -0.57 -0.11 -0.34 0.00 -2.18 0.00 0.00 60.65 57.45 2avg h LYS 52 Cb 2.04 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 32.64 2avg h LYS 52 CO -0.04 0.74 1.58 0.28 -1.08 0.00 0.00 179.45 180.93 2avg n VAL 53 N -3.20 0.00 0.00 0.50 0.31 0.12 -4.28 118.33 111.78 2avg n VAL 53 Ca -0.16 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2avg n VAL 53 Cb 1.03 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 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 4.85 -0.80 0.13 2.92 0.00 0.37 -4.86 105.19 107.80 2avg n GLY 54 Ca 0.55 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.87 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 0.65 -0.07 1.61 6.02 -1.26 -4.18 117.38 120.15 2avg n GLN 55 Ca 0.00 0.33 -0.16 0.00 -0.01 0.00 0.00 57.00 57.16 2avg n GLN 55 Cb 0.00 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.49 2avg n GLN 55 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2avg n HIS 56 N -3.86 0.51 -3.91 1.08 1.44 -1.26 -4.70 115.22 104.52 2avg n HIS 56 Ca -0.40 0.13 -0.34 0.00 -2.01 0.00 0.00 57.72 55.10 2avg n HIS 56 Cb 0.90 -1.08 -0.13 0.00 0.12 0.00 0.00 29.99 29.80 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 -6.37 4.28 -0.34 2.39 0.20 -1.23 0.18 118.68 117.79 2avg s LEU 57 Ca -0.21 -1.57 -0.12 0.00 0.69 0.00 0.00 54.13 52.91 2avg s LEU 57 Cb 0.08 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 2avg s LEU 57 CO 0.73 -0.33 0.23 -1.10 -0.29 0.00 0.00 176.35 175.59 2avg s GLN 58 N 1.17 3.45 -0.76 1.98 1.11 0.14 0.14 119.66 126.88 2avg s GLN 58 Ca -0.00 -0.67 -0.14 0.00 0.01 0.00 0.00 55.36 54.55 2avg s GLN 58 Cb -0.20 -3.77 0.20 0.00 -1.01 0.00 0.00 33.01 28.22 2avg s GLN 58 CO -0.03 -0.45 0.70 -1.17 0.01 0.00 0.00 175.29 174.35 2avg s LEU 59 N 1.70 6.59 0.58 2.90 0.20 -1.24 0.24 118.68 129.64 2avg s LEU 59 Ca 0.06 -2.50 -0.06 0.00 0.69 0.00 0.00 54.13 52.32 2avg s LEU 59 Cb -0.17 -2.20 -0.00 0.00 -0.43 0.00 0.00 46.19 43.39 2avg s LEU 59 CO 0.10 -0.63 0.89 -1.00 -0.29 0.00 0.00 176.35 175.42 2avg s HIS 60 N 0.47 3.32 -0.15 5.38 3.76 0.23 -4.86 115.29 123.44 2avg s HIS 60 Ca 0.15 0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 2avg s HIS 60 Cb -0.15 -2.67 0.04 0.00 1.11 0.00 0.00 32.58 30.91 2avg s HIS 60 CO -0.06 -0.74 -0.03 0.16 -0.85 0.00 0.00 174.74 173.22 2avg s ASP 61 N -4.27 2.55 0.08 1.40 -4.77 -1.26 -1.02 116.67 109.39 2avg s ASP 61 Ca 0.53 -0.55 -0.02 0.00 -3.30 0.00 0.00 52.55 49.21 2avg s ASP 61 Cb -0.11 -0.77 -0.05 0.00 -1.09 0.00 0.00 42.92 40.91 2avg s ASP 61 CO 0.46 -0.20 0.28 -0.44 0.70 0.00 0.00 175.17 175.96 2avg s SER 62 N 1.74 6.42 -0.30 2.11 0.01 0.21 -4.92 113.70 118.97 2avg s SER 62 Ca 0.02 0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 2avg s SER 62 Cb -0.15 -2.02 0.10 0.00 0.21 0.00 0.00 66.02 64.16 2avg s SER 62 CO -0.07 0.14 0.13 -0.47 0.41 0.00 0.00 173.24 173.38 2avg s TYR 63 N -1.54 0.55 -0.36 2.43 5.04 -1.26 -0.83 117.35 121.38 2avg s TYR 63 Ca 0.36 -1.07 -0.06 0.00 -2.44 0.00 0.00 57.07 53.87 2avg s TYR 63 Cb -0.13 -1.02 0.06 0.00 0.35 0.00 0.00 41.96 41.23 2avg s TYR 63 CO 0.25 -0.84 0.14 -0.51 -1.34 0.00 0.00 175.55 173.26 2avg s ASP 64 N 1.93 5.32 0.03 4.32 1.11 0.67 -4.96 116.67 125.08 2avg s ASP 64 Ca 0.10 -1.39 -0.20 0.00 0.18 0.00 0.00 52.55 51.24 2avg s ASP 64 Cb -0.17 -1.87 -0.16 0.00 1.07 0.00 0.00 42.92 41.79 2avg s ASP 64 CO -0.32 -0.40 1.27 -0.09 1.18 0.00 0.00 175.17 176.81 2avg h ARG 65 N 8.20 0.36 -0.03 8.23 1.12 -1.94 0.30 114.38 130.63 2avg h ARG 65 Ca -0.21 -0.23 -0.04 0.00 -1.11 0.00 0.00 59.98 58.39 2avg h ARG 65 Cb 1.07 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 2avg h ARG 65 CO 0.64 0.83 -0.15 0.00 -3.11 0.00 0.00 179.97 178.18 2avg h ALA 66 N 0.53 1.70 0.00 2.80 0.00 -1.95 0.36 119.26 122.69 2avg h ALA 66 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2avg h ALA 66 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2avg h ALA 66 CO 0.05 0.22 -0.92 0.77 0.00 0.00 0.00 179.25 179.38 2avg h SER 67 N 0.04 0.00 -5.38 0.00 0.02 -1.97 -3.47 113.55 102.79 2avg h SER 67 Ca 0.01 -0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.57 2avg h SER 67 Cb 0.29 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.96 2avg h SER 67 CO 0.02 0.02 -0.62 1.17 -1.14 0.00 0.00 176.83 176.27 2avg n LYS 68 N -2.62 -7.11 -4.04 3.45 4.81 0.58 -4.91 118.16 108.33 2avg n LYS 68 Ca 0.01 0.75 -0.23 0.00 -0.87 0.00 0.00 58.31 57.97 2avg n LYS 68 Cb 0.54 -5.56 -0.17 0.00 0.02 0.00 0.00 35.03 29.85 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 -3.29 0.64 -0.47 3.15 1.01 0.75 0.10 120.40 122.28 2avg s VAL 69 Ca 0.48 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2avg s VAL 69 Cb -0.21 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.54 2avg s VAL 69 CO 0.66 0.28 0.47 -0.31 0.00 0.00 0.00 175.10 176.19 2avg s TYR 70 N 1.36 3.17 -0.50 5.22 2.02 0.26 -0.24 117.35 128.65 2avg s TYR 70 Ca -0.04 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 55.75 2avg s TYR 70 Cb -0.13 -3.23 0.06 0.00 -0.40 0.00 0.00 41.96 38.26 2avg s TYR 70 CO -0.03 -0.85 0.59 -1.17 -1.57 0.00 0.00 175.55 172.53 2avg s LEU 71 N 2.01 5.08 -0.36 -1.29 2.96 -0.01 -0.94 118.68 126.13 2avg s LEU 71 Ca 0.08 -0.99 -0.25 0.00 -0.22 0.00 0.00 54.13 52.76 2avg s LEU 71 Cb -0.22 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2avg s LEU 71 CO 0.09 -0.86 0.85 -0.36 -1.32 0.00 0.00 176.35 174.75 2avg s PHE 72 N 2.49 3.11 -0.12 5.38 0.40 0.12 0.67 117.98 130.03 2avg s PHE 72 Ca 0.13 0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 57.03 2avg s PHE 72 Cb -0.20 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 39.78 2avg s PHE 72 CO 0.11 -0.76 0.28 -1.21 0.70 0.00 0.00 175.22 174.34 2avg s GLU 73 N 3.26 4.00 -0.34 0.44 2.02 -0.19 -0.42 118.70 127.47 2avg s GLU 73 Ca 0.35 0.11 -0.09 0.00 0.02 0.00 0.00 54.97 55.36 2avg s GLU 73 Cb -0.13 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.80 2avg s GLU 73 CO 0.17 0.46 0.15 -0.51 0.02 0.00 0.00 175.26 175.55 2avg s LEU 74 N -0.22 4.39 -0.59 1.80 2.01 0.10 0.76 118.68 126.92 2avg s LEU 74 Ca 0.17 -0.95 -0.07 0.00 0.01 0.00 0.00 54.13 53.29 2avg s LEU 74 Cb -0.14 -1.95 0.15 0.00 0.01 0.00 0.00 46.19 44.27 2avg s LEU 74 CO 0.06 -0.32 0.44 -1.00 1.01 0.00 0.00 176.35 176.55 2avg s HIS 75 N 1.50 3.50 -0.33 0.29 3.76 0.14 -2.28 115.29 121.86 2avg s HIS 75 Ca 0.01 -2.31 0.04 0.00 -0.15 0.00 0.00 55.06 52.65 2avg s HIS 75 Cb -0.19 -3.40 0.10 0.00 1.11 0.00 0.00 32.58 30.20 2avg s HIS 75 CO 0.05 -0.93 0.04 0.42 -0.85 0.00 0.00 174.74 173.47 2avg s ILE 76 N 0.52 2.18 0.35 0.60 1.01 -0.70 0.25 121.20 125.41 2avg s ILE 76 Ca 0.13 -2.23 0.07 0.00 0.00 0.00 0.00 60.65 58.62 2avg s ILE 76 Cb -0.20 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2avg s ILE 76 CO -0.04 -0.55 0.47 0.42 0.00 0.00 0.00 174.94 175.24 2avg s THR 77 N 0.96 3.88 -0.66 2.92 -4.23 0.13 0.09 115.64 118.73 2avg s THR 77 Ca 0.09 -1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 2avg s THR 77 Cb -0.19 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.33 2avg s THR 77 CO -0.09 -0.14 0.65 0.47 -0.54 0.00 0.00 174.62 174.97 2avg n ASP 78 N -1.65 -6.54 -4.61 3.99 8.00 0.14 -4.66 116.55 111.21 2avg n ASP 78 Ca 0.01 -0.25 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 2avg n ASP 78 Cb 0.58 -3.60 -0.02 0.00 -0.02 0.00 0.00 41.12 38.06 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 -2.67 3.16 0.53 2.24 0.00 -1.26 -4.83 121.76 118.93 2avg s ALA 79 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2avg s ALA 79 Cb -0.02 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.15 2avg s ALA 79 CO 0.82 -2.16 1.14 0.94 0.00 0.00 0.00 175.76 176.50 2avg n GLN 80 N 7.82 1.36 0.13 0.00 -0.06 -1.26 -3.87 117.38 121.49 2avg n GLN 80 Ca 0.17 0.50 0.09 0.00 -2.00 0.00 0.00 57.00 55.76 2avg n GLN 80 Cb 0.47 -2.30 0.48 0.00 -4.06 0.00 0.00 30.24 24.82 2avg n GLN 80 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2avg n PRO 81 N -0.68 0.12 -0.61 3.69 -0.04 -1.26 0.19 135.00 136.41 2avg n PRO 81 Ca 0.11 0.59 0.08 0.00 -0.04 0.00 0.00 63.50 64.24 2avg n PRO 81 Cb 0.44 -1.87 0.32 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.73 3.20 0.88 0.55 0.00 -1.26 -4.38 120.51 117.78 2avg n ALA 82 Ca -0.01 -1.85 0.11 0.00 0.00 0.00 0.00 53.44 51.69 2avg n ALA 82 Cb 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 0.46 0.06 0.00 0.00 3.01 0.13 -4.69 117.46 116.43 2avg n PHE 83 Ca 0.24 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.71 2avg n PHE 83 Cb 0.94 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 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 -1.62 0.00 -1.67 4.37 -1.04 -1.24 -3.08 114.28 109.98 2avg n THR 84 Ca 0.04 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.59 2avg n THR 84 Cb 0.36 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.83 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 1.60 2.65 3.41 0.00 0.24 -0.60 105.19 112.49 2avg n GLY 85 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 46.02 46.55 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 4.43 4.72 3.65 -0.02 0.00 -1.22 -1.05 105.19 115.69 2avg n GLY 86 Ca 0.21 -2.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.09 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 -2.31 2.95 -0.17 1.61 1.51 -0.61 -3.58 117.35 116.76 2avg s TYR 87 Ca 0.35 1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 57.50 2avg s TYR 87 Cb 0.09 -3.57 -0.01 0.00 -0.11 0.00 0.00 41.96 38.36 2avg s TYR 87 CO -0.02 -1.32 -0.11 1.03 -1.11 0.00 0.00 175.55 174.02 2avg s ARG 88 N 3.61 3.32 -0.24 -0.62 0.52 0.53 -2.19 118.95 123.87 2avg s ARG 88 Ca 0.52 -0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 55.00 2avg s ARG 88 Cb -0.18 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.56 2avg s ARG 88 CO 0.15 0.01 -0.03 0.00 0.02 0.00 0.00 175.30 175.45 2avg s GLU 90 N 1.43 0.76 0.03 0.00 2.02 -0.61 0.29 118.70 122.62 2avg s GLU 90 Ca 0.03 -0.85 -0.12 0.00 0.02 0.00 0.00 54.97 54.05 2avg s GLU 90 Cb -0.15 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 31.96 2avg s GLU 90 CO -0.03 -0.85 0.39 0.54 0.02 0.00 0.00 175.26 175.34 2avg s VAL 91 N 1.68 5.08 -0.21 2.63 0.11 -0.73 -2.19 120.40 126.78 2avg s VAL 91 Ca 0.05 0.62 -0.03 0.00 -2.93 0.00 0.00 61.98 59.69 2avg s VAL 91 Cb -0.17 -3.66 0.07 0.00 -1.53 0.00 0.00 36.38 31.08 2avg s VAL 91 CO -0.19 0.44 0.05 -0.55 -3.33 0.00 0.00 175.10 171.52 2avg s SER 92 N -1.41 3.06 0.09 3.54 0.15 0.14 -3.18 113.70 116.08 2avg s SER 92 Ca 0.28 -0.94 0.04 0.00 0.70 0.00 0.00 55.95 56.03 2avg s SER 92 Cb -0.15 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 2avg s SER 92 CO 0.15 -0.33 -0.11 -0.89 1.20 0.00 0.00 173.24 173.26 2avg s THR 93 N 1.86 0.98 0.00 6.45 2.01 -0.88 -2.69 115.64 123.37 2avg s THR 93 Ca 0.01 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.52 2avg s THR 93 Cb -0.17 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.13 2avg s THR 93 CO -0.12 -0.43 0.00 2.29 -0.69 0.00 0.00 174.62 175.67 2avg n LYS 94 N 0.86 0.00 0.00 4.92 -0.00 -1.26 0.43 118.16 123.11 2avg n LYS 94 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 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 -4.77 -5.58 2.03 -1.26 -5.03 116.55 101.94 2avg n ASP 95 Ca 0.00 -0.62 -0.38 0.00 0.52 0.00 0.00 54.79 54.30 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 4.25 -0.04 -0.67 2.36 0.17 -2.05 119.74 123.76 2avg s LYS 96 Ca 0.00 0.61 0.02 0.00 -2.55 0.00 0.00 55.97 54.05 2avg s LYS 96 Cb 0.00 -3.34 0.02 0.00 -1.05 0.00 0.00 37.83 33.46 2avg s LYS 96 CO 0.00 0.39 -0.07 0.12 1.55 0.00 0.00 175.35 177.34 2avg s PHE 97 N -0.22 0.94 -0.01 4.03 5.36 -1.26 -2.07 117.98 124.74 2avg s PHE 97 Ca 0.28 -0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 55.82 2avg s PHE 97 Cb -0.17 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 2avg s PHE 97 CO 0.15 -0.19 0.32 -0.51 -1.46 0.00 0.00 175.22 173.53 2avg s ASP 98 N 0.68 -0.20 0.04 6.13 1.01 -1.19 -4.98 116.67 118.15 2avg s ASP 98 Ca -0.11 0.10 -0.18 0.00 0.71 0.00 0.00 52.55 53.08 2avg s ASP 98 Cb -0.13 0.32 0.03 0.00 1.01 0.00 0.00 42.92 44.15 2avg s ASP 98 CO 0.01 -0.45 0.40 0.00 0.21 0.00 0.00 175.17 175.34 2avg s SER 100 N -1.95 1.82 -0.22 0.00 1.04 0.14 -4.96 113.70 109.57 2avg s SER 100 Ca -0.06 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 2avg s SER 100 Cb -0.01 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.11 2avg s SER 100 CO -0.02 -0.07 0.01 0.54 0.98 0.00 0.00 173.24 174.68 2avg s ASN 101 N -1.85 3.30 -0.06 7.02 6.03 -1.26 -1.99 114.94 126.14 2avg s ASN 101 Ca 0.00 -0.99 -0.02 0.00 -1.03 0.00 0.00 52.86 50.82 2avg s ASN 101 Cb -0.09 -0.82 0.04 0.00 -3.03 0.00 0.00 41.25 37.35 2avg s ASN 101 CO 0.03 -0.29 0.12 0.72 -2.03 0.00 0.00 177.10 175.65 2avg s PHE 102 N 1.68 -0.12 0.21 1.54 -0.71 -0.93 -4.83 117.98 114.82 2avg s PHE 102 Ca -0.02 0.41 0.05 0.00 -1.04 0.00 0.00 56.93 56.32 2avg s PHE 102 Cb -0.18 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 2avg s PHE 102 CO -0.08 -0.15 0.28 0.54 -1.34 0.00 0.00 175.22 174.46 2avg s ASN 103 N 1.19 6.06 -0.26 1.98 2.20 -1.25 -1.58 114.94 123.29 2avg s ASN 103 Ca -0.09 0.01 0.02 0.00 -0.94 0.00 0.00 52.86 51.86 2avg s ASN 103 Cb -0.12 -1.73 0.06 0.00 -2.00 0.00 0.00 41.25 37.47 2avg s ASN 103 CO -0.05 -0.01 -0.09 -0.22 -2.94 0.00 0.00 177.10 173.79 2avg s LEU 104 N -3.64 3.23 -0.69 3.54 2.96 -0.22 -0.97 118.68 122.89 2avg s LEU 104 Ca 0.33 -1.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.68 2avg s LEU 104 Cb -0.09 -1.44 0.10 0.00 0.50 0.00 0.00 46.19 45.25 2avg s LEU 104 CO 0.27 -0.21 0.89 -0.89 -1.32 0.00 0.00 176.35 175.10 2avg s THR 105 N 1.18 4.63 -0.33 3.68 2.01 0.69 0.79 115.64 128.30 2avg s THR 105 Ca -0.07 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.74 2avg s THR 105 Cb -0.20 -4.63 0.01 0.00 0.01 0.00 0.00 72.50 67.70 2avg s THR 105 CO -0.06 -1.33 1.02 0.54 -0.69 0.00 0.00 174.62 174.10 2avg s VAL 106 N 3.15 4.55 -0.65 3.82 0.11 -1.24 -1.06 120.40 129.09 2avg s VAL 106 Ca 0.20 1.60 -0.22 0.00 -2.93 0.00 0.00 61.98 60.63 2avg s VAL 106 Cb -0.17 -4.38 0.07 0.00 -1.53 0.00 0.00 36.38 30.38 2avg s VAL 106 CO 0.04 -0.46 0.93 -1.00 -3.33 0.00 0.00 175.10 171.28 2avg s HIS 107 N 3.56 2.71 0.02 1.54 3.76 0.30 -4.83 115.29 122.36 2avg s HIS 107 Ca 0.43 -0.58 -0.19 0.00 -0.15 0.00 0.00 55.06 54.57 2avg s HIS 107 Cb -0.12 -4.25 -0.11 0.00 1.11 0.00 0.00 32.58 29.21 2avg s HIS 107 CO 0.16 -1.60 1.18 1.49 -0.85 0.00 0.00 174.74 175.12 2avg h GLU 108 N 9.51 -0.66 0.00 1.40 4.81 -1.90 -2.53 114.58 125.21 2avg h GLU 108 Ca -0.29 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2avg h GLU 108 Cb 1.07 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2avg h GLU 108 CO 1.17 -0.44 -1.15 0.00 -0.73 0.00 0.00 179.01 177.86 2avg n ALA 109 N -2.39 2.58 -0.38 2.92 0.00 -1.26 -4.73 120.51 117.25 2avg n ALA 109 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2avg n ALA 109 Cb 0.27 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2avg n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38