#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ice s ARG 1 N 0.00 1.12 1.01 1.61 3.00 -1.26 -5.15 118.95 119.28 2ice s ARG 1 Ca 0.00 -1.39 -0.11 0.00 0.00 0.00 0.00 55.73 54.23 2ice s ARG 1 Cb 0.00 -0.89 0.20 0.00 0.00 0.00 0.00 34.95 34.26 2ice s ARG 1 CO 0.00 0.15 1.10 -2.14 0.00 0.00 0.00 175.30 174.41 2ice s PRO 2 N -3.21 0.28 -0.03 3.54 0.02 -1.26 -5.03 135.00 129.29 2ice s PRO 2 Ca 0.15 1.24 0.01 0.00 0.02 0.00 0.00 61.00 62.42 2ice s PRO 2 Cb -0.02 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 32.86 2ice s PRO 2 CO 0.03 -3.04 -0.02 0.42 -0.33 0.00 0.00 177.00 174.06 2ice s ILE 3 N -2.59 0.33 0.03 2.83 1.01 -1.26 -5.01 121.20 116.54 2ice s ILE 3 Ca 0.67 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 2ice s ILE 3 Cb -0.23 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.79 2ice s ILE 3 CO 0.61 0.17 0.46 -0.76 0.00 0.00 0.00 174.94 175.42 2ice s LEU 4 N 0.89 4.48 -0.26 2.97 1.43 -1.26 -4.34 118.68 122.58 2ice s LEU 4 Ca -0.10 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2ice s LEU 4 Cb -0.13 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2ice s LEU 4 CO -0.01 0.30 -0.06 -0.70 0.23 0.00 0.00 176.35 176.11 2ice s GLU 5 N -1.16 2.70 -0.02 1.70 2.12 0.17 -5.00 118.70 119.20 2ice s GLU 5 Ca 0.26 -1.07 -0.00 0.00 0.36 0.00 0.00 54.97 54.52 2ice s GLU 5 Cb -0.17 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.24 2ice s GLU 5 CO 0.15 -0.45 0.03 0.08 -0.54 0.00 0.00 175.26 174.53 2ice s VAL 6 N 1.29 -0.05 0.52 3.70 1.01 -1.26 -2.03 120.40 123.57 2ice s VAL 6 Ca -0.02 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 2ice s VAL 6 Cb -0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 2ice s VAL 6 CO -0.04 0.10 1.25 -2.65 0.00 0.00 0.00 175.10 173.75 2ice n PRO 7 N 4.24 1.59 -0.14 2.72 -0.02 -1.26 -4.91 135.00 137.22 2ice n PRO 7 Ca -0.27 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 2ice n PRO 7 Cb 0.50 -2.42 0.34 0.00 -0.02 0.00 0.00 33.50 31.89 2ice n PRO 7 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ice h GLU 8 N 1.44 0.77 -3.48 -0.52 4.81 -1.98 -3.40 114.58 112.22 2ice h GLU 8 Ca -0.49 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 2ice h GLU 8 Cb 1.31 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.35 2ice h GLU 8 CO 0.57 0.51 -0.33 0.45 -0.73 0.00 0.00 179.01 179.47 2ice s SER 9 N -6.40 -0.02 0.02 1.04 0.15 -1.26 -2.69 113.70 104.53 2ice s SER 9 Ca -0.10 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.24 2ice s SER 9 Cb 0.18 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2ice s SER 9 CO 0.76 -0.60 -0.05 -0.69 1.20 0.00 0.00 173.24 173.87 2ice s VAL 10 N -2.67 0.30 0.00 4.45 1.01 -0.99 -4.89 120.40 117.61 2ice s VAL 10 Ca -0.04 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2ice s VAL 10 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2ice s VAL 10 CO -0.04 -0.26 -0.18 -0.89 0.00 0.00 0.00 175.10 173.73 2ice s THR 11 N -0.93 1.42 0.01 3.92 2.01 -1.26 -0.41 115.64 120.40 2ice s THR 11 Ca -0.08 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2ice s THR 11 Cb -0.07 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 2ice s THR 11 CO -0.00 0.31 0.06 -0.83 -0.69 0.00 0.00 174.62 173.46 2ice s GLY 12 N -0.66 0.12 0.07 4.40 0.00 0.03 -4.92 107.32 106.36 2ice s GLY 12 Ca 0.06 -0.29 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 2ice s GLY 12 CO 0.00 -0.38 1.55 2.56 0.00 0.00 0.00 173.10 176.83 2ice s PRO 13 N -1.22 4.23 0.38 2.90 0.04 -1.26 -0.35 135.00 139.72 2ice s PRO 13 Ca -0.13 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2ice s PRO 13 Cb -0.08 -3.50 -0.12 0.00 0.04 0.00 0.00 34.50 30.85 2ice s PRO 13 CO 0.00 -0.65 1.03 1.87 0.04 0.00 0.00 177.00 179.29 2ice n TRP 14 N 5.17 1.28 -0.25 0.56 -0.00 -0.21 -1.08 117.44 122.91 2ice n TRP 14 Ca 0.14 0.60 0.00 0.00 -0.00 0.00 0.00 57.50 58.24 2ice n TRP 14 Cb 0.41 -2.25 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 2ice n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2ice n LYS 15 N 0.36 0.00 0.00 5.87 5.02 -0.51 -4.88 118.16 124.03 2ice n LYS 15 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2ice n LYS 15 Cb 0.37 -3.65 0.00 0.00 -0.02 0.00 0.00 35.03 31.73 2ice n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ice n GLY 16 N -2.00 2.43 3.86 0.72 0.00 -0.24 -4.25 105.19 105.71 2ice n GLY 16 Ca 0.00 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 2ice n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ice s ASP 17 N -0.82 5.63 0.06 1.61 1.01 -1.26 -0.37 116.67 122.54 2ice s ASP 17 Ca 0.00 -0.25 -0.17 0.00 0.71 0.00 0.00 52.55 52.84 2ice s ASP 17 Cb 0.00 -1.37 0.03 0.00 1.01 0.00 0.00 42.92 42.59 2ice s ASP 17 CO 0.00 -0.13 0.40 0.54 0.21 0.00 0.00 175.17 176.19 2ice s VAL 18 N -2.15 0.06 -0.08 -1.27 0.11 -0.78 -4.29 120.40 112.00 2ice s VAL 18 Ca 0.35 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2ice s VAL 18 Cb -0.08 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 2ice s VAL 18 CO 0.26 -0.28 -0.15 0.21 -3.33 0.00 0.00 175.10 171.82 2ice s ASN 19 N -2.19 2.09 -0.41 3.54 2.47 -1.26 -2.70 114.94 116.47 2ice s ASN 19 Ca -0.03 -0.36 -0.11 0.00 0.42 0.00 0.00 52.86 52.78 2ice s ASN 19 Cb -0.00 -0.96 0.06 0.00 -1.45 0.00 0.00 41.25 38.90 2ice s ASN 19 CO -0.05 0.05 0.26 -0.76 -3.72 0.00 0.00 177.10 172.89 2ice s LEU 20 N 0.64 5.06 0.17 3.21 1.43 0.11 -4.95 118.68 124.36 2ice s LEU 20 Ca -0.15 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 51.40 2ice s LEU 20 Cb -0.16 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 2ice s LEU 20 CO 0.04 -0.49 1.17 -2.84 0.23 0.00 0.00 176.35 174.45 2ice s PRO 21 N 1.52 4.52 -0.28 1.29 0.02 -1.26 -0.68 135.00 140.13 2ice s PRO 21 Ca 0.03 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 62.85 2ice s PRO 21 Cb -0.22 -3.26 0.12 0.00 0.02 0.00 0.00 34.50 31.17 2ice s PRO 21 CO 0.05 -0.05 0.26 0.00 -0.33 0.00 0.00 177.00 176.93 2ice s THR 23 N 2.32 1.42 -0.01 0.00 -4.23 -0.86 -1.43 115.64 112.85 2ice s THR 23 Ca 0.09 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2ice s THR 23 Cb -0.14 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2ice s THR 23 CO -0.30 -0.21 0.11 -0.72 -0.54 0.00 0.00 174.62 172.96 2ice s TYR 24 N -1.44 0.02 -0.26 3.99 -0.85 0.90 -0.66 117.35 119.05 2ice s TYR 24 Ca 0.04 -0.06 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 2ice s TYR 24 Cb -0.09 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.22 2ice s TYR 24 CO 0.03 -0.20 0.98 -0.51 -1.52 0.00 0.00 175.55 174.33 2ice s ASP 25 N -0.96 6.95 0.85 -0.18 1.01 -1.26 -4.35 116.67 118.74 2ice s ASP 25 Ca -0.10 1.14 -0.13 0.00 0.71 0.00 0.00 52.55 54.17 2ice s ASP 25 Cb -0.06 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.44 2ice s ASP 25 CO 0.01 -0.69 0.92 -2.65 0.21 0.00 0.00 175.17 172.97 2ice n PRO 26 N 6.38 -0.05 -3.97 8.23 -0.02 -1.26 -4.72 135.00 139.58 2ice n PRO 26 Ca 0.10 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.54 2ice n PRO 26 Cb 0.47 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 2ice n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ice s LEU 27 N -4.10 1.99 0.42 2.45 1.43 -1.26 -5.11 118.68 114.49 2ice s LEU 27 Ca 0.67 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2ice s LEU 27 Cb -0.27 0.50 -0.09 0.00 0.03 0.00 0.00 46.19 46.37 2ice s LEU 27 CO 0.57 -0.55 1.34 -1.10 0.23 0.00 0.00 176.35 176.84 2ice s GLN 28 N -3.08 3.90 -0.42 1.70 -0.21 -1.26 -3.05 119.66 117.24 2ice s GLN 28 Ca -0.01 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.61 2ice s GLN 28 Cb 0.02 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.29 2ice s GLN 28 CO -0.07 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 172.94 2ice n GLY 29 N 0.64 0.67 2.44 3.09 0.00 -1.26 -4.97 105.19 105.79 2ice n GLY 29 Ca 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2ice n GLY 29 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ice n TYR 30 N -2.77 1.22 -2.26 1.61 0.53 -1.17 -4.06 117.16 110.26 2ice n TYR 30 Ca -0.04 -3.80 -0.42 0.00 -1.02 0.00 0.00 57.90 52.63 2ice n TYR 30 Cb 0.19 -0.31 -0.03 0.00 -1.03 0.00 0.00 39.34 38.16 2ice n TYR 30 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2ice s THR 31 N -1.26 3.46 -0.03 -0.72 2.01 -0.81 -4.70 115.64 113.58 2ice s THR 31 Ca 0.34 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 2ice s THR 31 Cb 0.09 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2ice s THR 31 CO -0.12 0.12 1.11 -1.58 -0.69 0.00 0.00 174.62 173.45 2ice s GLN 32 N 0.64 4.43 0.00 4.92 0.74 -1.26 0.38 119.66 129.51 2ice s GLN 32 Ca 0.60 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.58 2ice s GLN 32 Cb -0.35 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.27 2ice s GLN 32 CO 0.33 -0.29 0.00 1.33 -0.55 0.00 0.00 175.29 176.11 2ice n VAL 33 N 4.30 0.00 -3.65 1.34 0.24 -0.60 -4.90 118.33 115.07 2ice n VAL 33 Ca 0.09 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 2ice n VAL 33 Cb 0.48 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 2ice n VAL 33 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2ice s LEU 34 N -2.04 -0.74 -0.01 1.34 2.96 -1.16 -4.44 118.68 114.58 2ice s LEU 34 Ca 0.00 1.41 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2ice s LEU 34 Cb 0.00 2.27 -0.02 0.00 0.50 0.00 0.00 46.19 48.94 2ice s LEU 34 CO 0.00 -0.23 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.87 2ice s VAL 35 N 1.17 2.28 -0.06 1.68 1.01 -0.32 -1.82 120.40 124.35 2ice s VAL 35 Ca -0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 2ice s VAL 35 Cb -0.05 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.53 2ice s VAL 35 CO -0.12 0.54 0.14 -0.75 0.00 0.00 0.00 175.10 174.90 2ice s LYS 36 N -0.78 0.08 -0.12 2.72 2.20 -0.13 -0.95 119.74 122.77 2ice s LYS 36 Ca 0.11 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 2ice s LYS 36 Cb -0.10 -0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.01 2ice s LYS 36 CO 0.00 -0.18 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.08 2ice s TRP 37 N 1.26 2.76 0.15 4.03 0.52 -1.09 -0.55 118.94 126.01 2ice s TRP 37 Ca -0.08 -0.64 0.11 0.00 0.02 0.00 0.00 56.10 55.51 2ice s TRP 37 Cb -0.12 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2ice s TRP 37 CO -0.06 -0.19 -0.26 -0.51 0.02 0.00 0.00 176.95 175.95 2ice s LEU 38 N 0.21 2.37 -0.08 2.99 1.02 -0.43 0.13 118.68 124.89 2ice s LEU 38 Ca -0.09 -0.77 0.05 0.00 0.02 0.00 0.00 54.13 53.33 2ice s LEU 38 Cb -0.16 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 2ice s LEU 38 CO 0.06 0.16 -0.24 0.54 0.02 0.00 0.00 176.35 176.89 2ice s VAL 39 N -1.22 2.15 -0.95 -1.59 0.11 0.66 -0.43 120.40 119.13 2ice s VAL 39 Ca 0.16 -1.01 -0.24 0.00 -2.93 0.00 0.00 61.98 57.96 2ice s VAL 39 Cb -0.09 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2ice s VAL 39 CO 0.07 0.56 1.62 -1.58 -3.33 0.00 0.00 175.10 172.45 2ice s GLN 40 N 0.07 3.18 -1.08 1.54 2.00 0.74 -1.60 119.66 124.50 2ice s GLN 40 Ca -0.10 -0.72 -0.22 0.00 -2.00 0.00 0.00 55.36 52.31 2ice s GLN 40 Cb -0.16 -5.15 -0.10 0.00 0.80 0.00 0.00 33.01 28.40 2ice s GLN 40 CO 0.06 -2.62 1.92 -2.13 -0.50 0.00 0.00 175.29 172.02 2ice n ARG 41 N 8.92 1.67 0.00 1.67 0.63 -1.26 -4.46 116.66 123.82 2ice n ARG 41 Ca 0.33 -2.35 0.00 0.00 -0.92 0.00 0.00 57.85 54.91 2ice n ARG 41 Cb 0.50 -3.50 0.00 0.00 0.45 0.00 0.00 32.46 29.90 2ice n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ice n GLY 42 N 5.42 0.20 0.00 5.14 0.00 -1.26 -3.72 105.19 110.97 2ice n GLY 42 Ca 0.46 0.55 0.00 0.00 0.00 0.00 0.00 46.02 47.04 2ice n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ice n SER 43 N 0.68 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 112.51 2ice n SER 43 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2ice n SER 43 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2ice n SER 43 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2ice n ASP 44 N -1.82 0.00 -4.98 -3.46 5.68 -1.24 -5.11 116.55 105.62 2ice n ASP 44 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.09 2ice n ASP 44 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2ice n ASP 44 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 2ice s PRO 45 N -2.00 3.26 -0.27 0.11 0.02 -1.26 -4.69 135.00 130.17 2ice s PRO 45 Ca 0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 61.00 59.88 2ice s PRO 45 Cb 0.00 -2.84 0.07 0.00 0.02 0.00 0.00 34.50 31.75 2ice s PRO 45 CO 0.00 0.21 0.75 0.08 -0.33 0.00 0.00 177.00 177.71 2ice s VAL 46 N -2.10 0.00 -0.27 3.83 1.01 -0.63 -4.92 120.40 117.32 2ice s VAL 46 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 2ice s VAL 46 Cb -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2ice s VAL 46 CO 0.30 0.00 0.02 -0.89 0.00 0.00 0.00 175.10 174.53 2ice s THR 47 N 0.32 3.48 -0.25 3.92 2.01 -1.26 -0.25 115.64 123.62 2ice s THR 47 Ca -0.00 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2ice s THR 47 Cb -0.05 -2.78 -0.16 0.00 0.01 0.00 0.00 72.50 69.53 2ice s THR 47 CO 0.01 0.15 -0.22 2.30 -0.69 0.00 0.00 174.62 176.16 2ice n ILE 48 N 4.78 1.41 -4.40 1.82 -5.35 0.34 -4.49 119.36 113.48 2ice n ILE 48 Ca -0.15 -0.54 -0.24 0.00 -0.27 0.00 0.00 62.75 61.55 2ice n ILE 48 Cb 0.48 -1.38 -0.09 0.00 -1.74 0.00 0.00 39.64 36.90 2ice n ILE 48 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2ice s PHE 49 N -2.49 2.45 -0.30 4.28 5.36 -0.81 -0.38 117.98 126.09 2ice s PHE 49 Ca -0.33 -0.31 -0.06 0.00 -0.96 0.00 0.00 56.93 55.27 2ice s PHE 49 Cb 0.09 -1.12 0.17 0.00 -0.34 0.00 0.00 43.02 41.82 2ice s PHE 49 CO 0.57 0.66 0.68 -1.17 -1.46 0.00 0.00 175.22 174.50 2ice s LEU 50 N -3.59 -1.18 -0.15 6.12 2.96 -0.48 -2.69 118.68 119.68 2ice s LEU 50 Ca 0.31 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 2ice s LEU 50 Cb -0.05 2.10 0.01 0.00 0.50 0.00 0.00 46.19 48.76 2ice s LEU 50 CO 0.17 -0.22 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.17 2ice s ARG 51 N 2.85 3.04 0.25 1.98 3.52 -0.12 -1.17 118.95 129.31 2ice s ARG 51 Ca 0.09 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2ice s ARG 51 Cb -0.13 -2.49 -0.00 0.00 -1.56 0.00 0.00 34.95 30.77 2ice s ARG 51 CO -0.19 -0.05 0.31 -0.40 -0.81 0.00 0.00 175.30 174.16 2ice n ASP 52 N 4.18 -0.86 -0.25 -2.12 5.68 -0.84 -1.17 116.55 121.17 2ice n ASP 52 Ca -0.20 -2.44 0.13 0.00 -0.50 0.00 0.00 54.79 51.78 2ice n ASP 52 Cb 0.51 1.67 0.26 0.00 -1.14 0.00 0.00 41.12 42.42 2ice n ASP 52 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2ice n SER 53 N -1.85 -0.02 -0.18 -1.12 3.41 -1.26 -0.34 113.62 112.26 2ice n SER 53 Ca 0.02 1.23 -0.09 0.00 -0.26 0.00 0.00 58.87 59.77 2ice n SER 53 Cb 0.43 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2ice n SER 53 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ice h SER 54 N 0.00 0.86 0.00 4.04 4.64 -1.98 -3.50 113.55 117.61 2ice h SER 54 Ca 0.48 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2ice h SER 54 Cb 1.05 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2ice h SER 54 CO -0.66 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2ice n GLY 55 N -0.46 0.19 3.90 -0.77 0.00 0.54 -5.12 105.19 103.47 2ice n GLY 55 Ca 0.01 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2ice n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ice s ASP 56 N -4.00 6.45 -0.16 1.61 1.11 -1.26 -1.99 116.67 118.43 2ice s ASP 56 Ca 0.00 0.48 -0.05 0.00 0.18 0.00 0.00 52.55 53.16 2ice s ASP 56 Cb 0.00 -2.05 0.08 0.00 1.07 0.00 0.00 42.92 42.02 2ice s ASP 56 CO 0.00 0.15 0.31 -1.00 1.18 0.00 0.00 175.17 175.81 2ice s HIS 57 N -1.50 -0.54 -0.35 4.23 3.76 -0.32 -4.99 115.29 115.59 2ice s HIS 57 Ca 0.35 1.03 -0.14 0.00 -0.15 0.00 0.00 55.06 56.15 2ice s HIS 57 Cb -0.13 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 2ice s HIS 57 CO 0.23 -0.44 0.29 0.42 -0.85 0.00 0.00 174.74 174.39 2ice s ILE 58 N 2.47 5.24 -2.12 0.60 1.01 -1.26 -1.39 121.20 125.75 2ice s ILE 58 Ca 0.02 -0.17 0.21 0.00 0.00 0.00 0.00 60.65 60.71 2ice s ILE 58 Cb -0.13 -3.78 0.56 0.00 0.01 0.00 0.00 42.46 39.12 2ice s ILE 58 CO -0.10 -0.08 1.48 0.00 0.00 0.00 0.00 174.94 176.24 2ice n GLN 59 N 5.22 2.52 -3.60 2.79 1.13 0.49 -4.78 117.38 121.15 2ice n GLN 59 Ca -0.11 -2.35 -0.18 0.00 -1.94 0.00 0.00 57.00 52.41 2ice n GLN 59 Cb 0.49 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 29.18 2ice n GLN 59 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ice s GLN 60 N -1.21 0.09 0.58 -1.09 -1.52 -1.26 -4.93 119.66 110.33 2ice s GLN 60 Ca 0.43 0.39 0.28 0.00 -1.95 0.00 0.00 55.36 54.51 2ice s GLN 60 Cb 0.23 -0.73 1.54 0.00 -0.22 0.00 0.00 33.01 33.83 2ice s GLN 60 CO 0.31 -0.46 2.01 0.00 -0.25 0.00 0.00 175.29 176.90 2ice h ALA 61 N 8.35 2.07 0.00 6.09 0.00 -1.97 -2.16 119.26 131.65 2ice h ALA 61 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ice h ALA 61 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ice h ALA 61 CO 0.20 -0.51 0.00 0.36 0.00 0.00 0.00 179.25 179.30 2ice n LYS 62 N -3.89 0.37 -0.00 0.00 2.85 -1.26 -2.65 118.16 113.58 2ice n LYS 62 Ca 0.05 0.07 0.05 0.00 -1.05 0.00 0.00 58.31 57.44 2ice n LYS 62 Cb 0.50 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.32 2ice n LYS 62 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2ice n TYR 63 N -1.16 0.00 -1.64 5.58 4.01 -0.81 -4.88 117.16 118.26 2ice n TYR 63 Ca 0.10 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.40 2ice n TYR 63 Cb 0.10 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 2ice n TYR 63 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2ice n GLN 64 N -1.29 2.43 0.00 -0.72 6.02 -1.08 -1.48 117.38 121.26 2ice n GLN 64 Ca 0.02 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 2ice n GLN 64 Cb 0.17 -2.94 0.00 0.00 1.02 0.00 0.00 30.24 28.49 2ice n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ice n GLY 65 N 4.86 2.87 0.37 1.08 0.00 -1.26 -4.84 105.19 108.28 2ice n GLY 65 Ca 0.24 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2ice n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ice n ARG 66 N 0.00 1.18 -5.08 1.61 1.74 -0.55 -4.93 116.66 110.63 2ice n ARG 66 Ca 0.00 -0.75 -0.29 0.00 -0.77 0.00 0.00 57.85 56.04 2ice n ARG 66 Cb 0.00 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 2ice n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ice s LEU 67 N -2.34 2.00 -0.14 0.55 0.20 -1.06 -0.73 118.68 117.16 2ice s LEU 67 Ca 0.27 -0.45 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 2ice s LEU 67 Cb 0.20 -1.21 0.04 0.00 -0.43 0.00 0.00 46.19 44.79 2ice s LEU 67 CO 0.47 0.20 0.35 -1.00 -0.29 0.00 0.00 176.35 176.07 2ice s HIS 68 N -0.03 -0.45 -0.20 5.38 3.76 -0.59 -5.01 115.29 118.15 2ice s HIS 68 Ca -0.05 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.87 2ice s HIS 68 Cb -0.13 0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.73 2ice s HIS 68 CO 0.03 -0.25 -0.13 0.08 -0.85 0.00 0.00 174.74 173.63 2ice s VAL 69 N 0.82 2.64 0.39 -0.90 1.01 -1.26 0.61 120.40 123.71 2ice s VAL 69 Ca -0.05 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 2ice s VAL 69 Cb -0.06 -2.16 -0.14 0.00 0.00 0.00 0.00 36.38 34.02 2ice s VAL 69 CO -0.06 0.48 0.02 -0.24 0.00 0.00 0.00 175.10 175.30 2ice n SER 70 N 4.70 -2.82 -0.65 3.32 2.88 -0.47 -4.94 113.62 115.63 2ice n SER 70 Ca -0.20 0.69 -0.01 0.00 -1.33 0.00 0.00 58.87 58.02 2ice n SER 70 Cb 0.50 -0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 2ice n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ice n HIS 71 N -1.06 0.00 0.00 0.66 1.44 -1.26 -4.51 115.22 110.49 2ice n HIS 71 Ca 0.09 -0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2ice n HIS 71 Cb 0.38 0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2ice n HIS 71 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2ice n LYS 72 N 0.02 0.00 -1.98 -1.40 4.76 -1.26 -4.89 118.16 113.40 2ice n LYS 72 Ca -0.06 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 2ice n LYS 72 Cb 0.59 -0.33 -0.03 0.00 -1.84 0.00 0.00 35.03 33.42 2ice n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ice s VAL 73 N -0.48 3.53 -0.01 -0.18 1.01 -1.26 -4.95 120.40 118.06 2ice s VAL 73 Ca 0.00 0.64 -0.33 0.00 0.00 0.00 0.00 61.98 62.29 2ice s VAL 73 Cb 0.00 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 2ice s VAL 73 CO 0.00 -0.09 1.87 -2.65 0.00 0.00 0.00 175.10 174.23 2ice n PRO 74 N 7.31 2.40 0.00 2.72 -0.02 -1.26 -1.51 135.00 144.63 2ice n PRO 74 Ca 0.18 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2ice n PRO 74 Cb 0.43 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2ice n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ice n GLY 75 N 4.32 1.75 3.24 -1.23 0.00 -1.26 -4.77 105.19 107.23 2ice n GLY 75 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2ice n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ice s ASP 76 N -1.99 5.22 -0.22 1.61 2.15 -0.57 -0.07 116.67 122.80 2ice s ASP 76 Ca 0.00 -1.25 0.12 0.00 0.43 0.00 0.00 52.55 51.85 2ice s ASP 76 Cb 0.00 -1.83 0.44 0.00 -0.30 0.00 0.00 42.92 41.23 2ice s ASP 76 CO 0.00 -0.33 1.20 1.33 -0.17 0.00 0.00 175.17 177.19 2ice n VAL 77 N 4.75 2.02 -1.42 1.11 0.24 -0.52 -4.13 118.33 120.39 2ice n VAL 77 Ca -0.12 -3.30 -0.33 0.00 -2.04 0.00 0.00 64.34 58.54 2ice n VAL 77 Cb 0.44 -0.30 0.09 0.00 -1.47 0.00 0.00 33.84 32.60 2ice n VAL 77 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ice s SER 78 N -3.26 4.28 -0.07 -1.34 0.01 -1.16 -4.65 113.70 107.50 2ice s SER 78 Ca 0.41 2.23 0.04 0.00 1.31 0.00 0.00 55.95 59.94 2ice s SER 78 Cb 0.38 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 2ice s SER 78 CO -0.04 -2.20 -0.18 -0.22 0.41 0.00 0.00 173.24 171.00 2ice s LEU 79 N -5.28 2.47 -0.19 2.44 2.96 0.14 -1.36 118.68 119.86 2ice s LEU 79 Ca 0.71 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 2ice s LEU 79 Cb -0.26 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 44.97 2ice s LEU 79 CO 0.46 0.27 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.51 2ice s GLN 80 N -0.28 2.52 -0.12 1.98 1.11 0.20 0.06 119.66 125.13 2ice s GLN 80 Ca 0.01 -0.88 -0.07 0.00 0.01 0.00 0.00 55.36 54.43 2ice s GLN 80 Cb -0.13 -2.52 -0.04 0.00 -1.01 0.00 0.00 33.01 29.32 2ice s GLN 80 CO 0.03 -0.33 0.14 -0.51 0.01 0.00 0.00 175.29 174.63 2ice s LEU 81 N 1.31 4.39 0.09 2.90 1.02 -1.10 -1.55 118.68 125.74 2ice s LEU 81 Ca 0.01 0.46 0.07 0.00 0.02 0.00 0.00 54.13 54.70 2ice s LEU 81 Cb -0.15 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2ice s LEU 81 CO -0.10 0.40 -0.13 -0.94 0.02 0.00 0.00 176.35 175.60 2ice s SER 82 N -1.07 4.20 -0.99 2.29 1.04 0.09 -1.87 113.70 117.38 2ice s SER 82 Ca 0.16 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.11 2ice s SER 82 Cb -0.12 -0.75 -0.05 0.00 0.10 0.00 0.00 66.02 65.20 2ice s SER 82 CO 0.05 0.20 0.86 0.41 0.98 0.00 0.00 173.24 175.74 2ice n THR 83 N 0.94 -8.97 -1.70 2.02 -1.04 0.51 -4.79 114.28 101.25 2ice n THR 83 Ca -0.15 -1.08 -0.44 0.00 -2.04 0.00 0.00 64.05 60.35 2ice n THR 83 Cb 0.52 -6.34 -0.03 0.00 -1.82 0.00 0.00 70.33 62.66 2ice n THR 83 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ice n LEU 84 N -3.03 3.68 -4.90 -4.42 4.32 -0.17 -4.76 117.00 107.72 2ice n LEU 84 Ca -0.06 1.06 -0.28 0.00 -0.02 0.00 0.00 56.01 56.70 2ice n LEU 84 Cb 0.59 -1.52 -0.04 0.00 -1.62 0.00 0.00 43.42 40.84 2ice n LEU 84 CO 0.59 0.02 -0.15 -1.61 -1.22 0.00 0.00 177.39 175.02 2ice s GLU 85 N 1.27 3.32 0.54 3.23 2.02 -1.26 -1.42 118.70 126.40 2ice s GLU 85 Ca 0.77 -0.58 0.25 0.00 0.02 0.00 0.00 54.97 55.44 2ice s GLU 85 Cb -0.57 -2.93 1.42 0.00 0.10 0.00 0.00 34.13 32.15 2ice s GLU 85 CO 0.35 0.56 2.01 0.52 0.02 0.00 0.00 175.26 178.71 2ice h MET 86 N 2.64 0.00 0.00 1.61 2.86 -1.97 0.40 114.93 120.47 2ice h MET 86 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2ice h MET 86 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2ice h MET 86 CO 0.70 0.00 0.00 0.22 1.06 0.00 0.00 176.91 178.89 2ice h ASP 87 N 0.00 0.00 1.11 1.22 3.58 -2.01 -2.75 116.42 117.57 2ice h ASP 87 Ca 0.22 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 2ice h ASP 87 Cb 0.93 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 2ice h ASP 87 CO -0.00 0.00 -0.10 0.44 -2.88 0.00 0.00 179.24 176.69 2ice h ASP 88 N 0.00 0.00 -1.39 2.28 3.32 -1.31 -3.44 116.42 115.89 2ice h ASP 88 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2ice h ASP 88 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2ice h ASP 88 CO 0.00 0.10 1.18 0.54 -1.72 0.00 0.00 179.24 179.35 2ice n ARG 89 N -3.22 1.28 0.00 3.56 1.74 -1.04 -4.84 116.66 114.14 2ice n ARG 89 Ca 0.01 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2ice n ARG 89 Cb 0.39 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 2ice n ARG 89 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ice n SER 90 N 7.69 0.00 -4.70 0.55 2.88 -1.09 -5.04 113.62 113.90 2ice n SER 90 Ca 0.33 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.47 2ice n SER 90 Cb 0.20 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.61 2ice n SER 90 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2ice s HIS 91 N -2.00 3.51 -0.07 0.66 3.76 -1.26 -1.01 115.29 118.88 2ice s HIS 91 Ca 0.00 1.16 0.02 0.00 -0.15 0.00 0.00 55.06 56.09 2ice s HIS 91 Cb 0.00 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 2ice s HIS 91 CO 0.00 0.00 -0.12 0.71 -0.85 0.00 0.00 174.74 174.48 2ice s TYR 92 N 1.18 2.78 -0.17 1.40 2.02 0.54 -0.19 117.35 124.91 2ice s TYR 92 Ca 0.35 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2ice s TYR 92 Cb -0.17 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2ice s TYR 92 CO 0.15 0.14 -0.08 0.99 -1.57 0.00 0.00 175.55 175.18 2ice s THR 93 N -0.51 3.28 -0.19 -0.71 2.01 0.43 -0.51 115.64 119.43 2ice s THR 93 Ca 0.07 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 2ice s THR 93 Cb -0.12 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2ice s THR 93 CO 0.02 0.48 0.25 0.00 -0.69 0.00 0.00 174.62 174.68 2ice s GLU 95 N 0.71 0.32 0.08 0.00 2.12 0.29 -0.96 118.70 121.26 2ice s GLU 95 Ca 0.14 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.55 2ice s GLU 95 Cb -0.13 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.96 2ice s GLU 95 CO 0.03 -0.46 -0.05 0.08 -0.54 0.00 0.00 175.26 174.32 2ice s VAL 96 N 2.04 3.68 -0.13 3.70 1.01 -0.24 -0.96 120.40 129.51 2ice s VAL 96 Ca 0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2ice s VAL 96 Cb -0.14 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2ice s VAL 96 CO -0.06 0.17 -0.03 -0.89 0.00 0.00 0.00 175.10 174.29 2ice s THR 97 N -1.21 0.76 0.15 3.92 2.01 -0.75 -1.77 115.64 118.75 2ice s THR 97 Ca 0.22 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.95 2ice s THR 97 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 2ice s THR 97 CO 0.14 0.16 0.17 0.26 -0.69 0.00 0.00 174.62 174.66 2ice s TRP 98 N 1.79 3.24 -0.11 4.92 0.51 -0.18 -1.55 118.94 127.56 2ice s TRP 98 Ca 0.03 0.03 -0.03 0.00 -2.12 0.00 0.00 56.10 54.00 2ice s TRP 98 Cb -0.14 -1.56 -0.03 0.00 -0.81 0.00 0.00 33.47 30.92 2ice s TRP 98 CO -0.07 0.52 0.02 -1.14 -0.51 0.00 0.00 176.95 175.77 2ice s GLN 99 N -3.08 3.21 -0.05 4.98 0.74 0.16 -1.02 119.66 124.61 2ice s GLN 99 Ca 0.32 -0.39 -0.02 0.00 0.05 0.00 0.00 55.36 55.32 2ice s GLN 99 Cb -0.10 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 2ice s GLN 99 CO 0.25 0.61 0.06 0.95 -0.55 0.00 0.00 175.29 176.61 2ice s THR 100 N -0.62 4.71 0.54 -0.34 -4.23 -0.69 -1.92 115.64 113.09 2ice s THR 100 Ca 0.10 -0.26 0.44 0.00 -1.18 0.00 0.00 61.69 60.80 2ice s THR 100 Cb -0.12 -3.08 0.66 0.00 1.34 0.00 0.00 72.50 71.30 2ice s THR 100 CO 0.02 0.48 1.64 1.55 -0.54 0.00 0.00 174.62 177.77 2ice h PRO 101 N 4.58 0.01 -0.07 3.99 0.13 -1.90 0.35 132.00 139.09 2ice h PRO 101 Ca -0.51 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2ice h PRO 101 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ice h PRO 101 CO 0.59 0.01 -0.70 0.38 -0.23 0.00 0.00 178.00 178.04 2ice h ASP 102 N 0.01 0.42 0.00 1.44 2.03 -1.95 -3.47 116.42 114.90 2ice h ASP 102 Ca 0.83 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 2ice h ASP 102 Cb 3.23 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 41.61 2ice h ASP 102 CO -0.06 1.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 2ice n GLY 103 N 0.50 1.07 3.79 7.15 0.00 0.12 -5.14 105.19 112.68 2ice n GLY 103 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2ice n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ice s ASN 104 N 0.00 6.47 0.09 1.61 0.02 -1.25 -4.69 114.94 117.20 2ice s ASN 104 Ca 0.00 1.96 -0.01 0.00 -1.02 0.00 0.00 52.86 53.79 2ice s ASN 104 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 2ice s ASN 104 CO 0.00 -0.69 0.26 -1.10 0.02 0.00 0.00 177.10 175.59 2ice s GLN 105 N -3.01 3.48 0.03 -0.60 -0.21 -1.26 -1.70 119.66 116.38 2ice s GLN 105 Ca 0.64 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.67 2ice s GLN 105 Cb -0.18 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 2ice s GLN 105 CO 0.22 0.56 -0.11 0.14 -2.12 0.00 0.00 175.29 173.98 2ice s VAL 106 N -1.59 0.86 -0.03 1.09 -7.23 -0.18 -4.98 120.40 108.34 2ice s VAL 106 Ca 0.36 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.79 2ice s VAL 106 Cb -0.12 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 2ice s VAL 106 CO 0.28 -0.02 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.10 2ice s VAL 107 N -0.76 2.03 0.00 1.32 1.01 -1.26 -1.01 120.40 121.73 2ice s VAL 107 Ca -0.00 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2ice s VAL 107 Cb -0.07 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2ice s VAL 107 CO 0.01 0.57 -0.03 -0.13 0.00 0.00 0.00 175.10 175.52 2ice s ARG 108 N -0.53 0.23 0.06 2.72 1.81 -0.73 -5.04 118.95 117.48 2ice s ARG 108 Ca 0.08 -0.20 -0.04 0.00 -1.72 0.00 0.00 55.73 53.85 2ice s ARG 108 Cb -0.11 -0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.21 2ice s ARG 108 CO -0.00 0.04 0.05 0.16 -0.68 0.00 0.00 175.30 174.86 2ice s ASP 109 N -0.34 0.34 -0.11 0.23 -4.77 -1.26 -1.08 116.67 109.69 2ice s ASP 109 Ca -0.02 -0.83 -0.18 0.00 -3.30 0.00 0.00 52.55 48.22 2ice s ASP 109 Cb -0.03 0.24 0.04 0.00 -1.09 0.00 0.00 42.92 42.09 2ice s ASP 109 CO -0.00 -0.62 0.45 -0.75 0.70 0.00 0.00 175.17 174.95 2ice s LYS 110 N -3.68 0.66 -0.19 2.11 2.20 -0.13 -4.99 119.74 115.72 2ice s LYS 110 Ca 0.04 0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 2ice s LYS 110 Cb 0.06 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2ice s LYS 110 CO -0.09 -0.14 0.01 0.42 -0.36 0.00 0.00 175.35 175.19 2ice s ILE 111 N -0.43 4.17 0.03 5.43 1.01 -1.26 -1.13 121.20 129.01 2ice s ILE 111 Ca -0.06 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2ice s ILE 111 Cb -0.03 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2ice s ILE 111 CO 0.03 0.44 -0.03 0.28 0.00 0.00 0.00 174.94 175.67 2ice s THR 112 N 0.75 3.92 -0.50 2.92 -1.32 0.33 -4.78 115.64 116.96 2ice s THR 112 Ca 0.01 -0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.55 2ice s THR 112 Cb -0.14 -2.77 0.10 0.00 -1.51 0.00 0.00 72.50 68.18 2ice s THR 112 CO 0.02 0.31 0.45 -0.70 -2.21 0.00 0.00 174.62 172.48 2ice s GLU 113 N -1.73 2.99 -0.04 7.08 -6.30 -1.10 -0.34 118.70 119.26 2ice s GLU 113 Ca 0.20 -1.51 -0.30 0.00 -2.50 0.00 0.00 54.97 50.86 2ice s GLU 113 Cb -0.11 -4.21 -0.03 0.00 0.00 0.00 0.00 34.13 29.77 2ice s GLU 113 CO 0.12 -1.17 1.16 -1.17 0.02 0.00 0.00 175.26 174.21 2ice s LEU 114 N 1.63 4.29 0.10 2.70 2.96 -0.18 -2.34 118.68 127.85 2ice s LEU 114 Ca 0.04 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 55.80 2ice s LEU 114 Cb -0.27 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 2ice s LEU 114 CO 0.05 -0.53 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.33 2ice s ARG 115 N 1.96 2.15 -0.20 1.98 0.52 0.45 -2.68 118.95 123.13 2ice s ARG 115 Ca 0.55 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2ice s ARG 115 Cb -0.24 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 32.95 2ice s ARG 115 CO 0.23 0.51 -0.11 0.08 0.02 0.00 0.00 175.30 176.02 2ice s VAL 116 N -1.22 1.70 -0.17 3.52 1.01 -1.26 -0.79 120.40 123.19 2ice s VAL 116 Ca 0.22 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 2ice s VAL 116 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2ice s VAL 116 CO 0.14 0.20 0.40 -1.10 0.00 0.00 0.00 175.10 174.74 2ice s GLN 117 N 1.37 4.24 0.00 2.72 -0.21 0.53 -4.85 119.66 123.46 2ice s GLN 117 Ca -0.01 0.25 0.24 0.00 0.02 0.00 0.00 55.36 55.85 2ice s GLN 117 Cb -0.16 -3.48 1.41 0.00 1.00 0.00 0.00 33.01 31.78 2ice s GLN 117 CO -0.08 0.08 1.78 1.17 -2.12 0.00 0.00 175.29 176.11