#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii8 s LEU 2 N 0.00 4.39 -0.32 2.46 1.02 -1.26 -4.99 118.68 119.98 2ii8 s LEU 2 Ca 0.00 2.48 0.02 0.00 0.02 0.00 0.00 54.13 56.65 2ii8 s LEU 2 Cb 0.00 -3.60 0.08 0.00 0.02 0.00 0.00 46.19 42.69 2ii8 s LEU 2 CO 0.00 -0.65 0.01 -0.55 0.02 0.00 0.00 176.35 175.18 2ii8 s SER 3 N 0.70 4.74 -0.03 2.29 0.15 -1.26 -3.88 113.70 116.41 2ii8 s SER 3 Ca 0.62 -1.80 0.02 0.00 0.70 0.00 0.00 55.95 55.49 2ii8 s SER 3 Cb -0.39 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 2ii8 s SER 3 CO 0.36 -0.33 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 2ii8 s ILE 4 N 1.03 0.82 0.00 6.45 1.01 -1.26 -5.08 121.20 124.17 2ii8 s ILE 4 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2ii8 s ILE 4 Cb -0.20 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2ii8 s ILE 4 CO -0.06 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2ii8 n GLY 5 N 3.46 0.12 3.61 6.18 0.00 -1.26 -3.96 105.19 113.34 2ii8 n GLY 5 Ca -0.20 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 2ii8 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii8 s ARG 6 N 0.00 1.70 0.00 1.61 1.70 -0.15 -4.70 118.95 119.12 2ii8 s ARG 6 Ca 0.00 -1.35 0.26 0.00 -0.47 0.00 0.00 55.73 54.17 2ii8 s ARG 6 Cb 0.00 0.49 0.78 0.00 -0.57 0.00 0.00 34.95 35.65 2ii8 s ARG 6 CO 0.00 -0.72 1.58 0.25 -1.08 0.00 0.00 175.30 175.33 2ii8 n THR 7 N -0.44 0.00 -3.69 4.99 -2.24 -1.26 -1.47 114.28 110.18 2ii8 n THR 7 Ca -0.02 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 2ii8 n THR 7 Cb 0.61 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 69.03 2ii8 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii8 s TRP 9 N 2.03 1.50 -0.03 0.00 0.52 0.05 -5.00 118.94 118.02 2ii8 s TRP 9 Ca -0.02 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.82 2ii8 s TRP 9 Cb -0.12 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 2ii8 s TRP 9 CO -0.08 0.04 -0.20 0.00 0.02 0.00 0.00 176.95 176.73 2ii8 s ALA 10 N -0.69 1.72 -0.25 0.98 0.00 -1.26 0.14 121.76 122.40 2ii8 s ALA 10 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2ii8 s ALA 10 Cb -0.08 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.62 2ii8 s ALA 10 CO 0.01 0.39 -0.09 0.42 0.00 0.00 0.00 175.76 176.49 2ii8 s ILE 11 N -0.33 1.91 -0.69 0.00 1.01 0.48 -5.00 121.20 118.57 2ii8 s ILE 11 Ca 0.04 -1.45 0.25 0.00 0.00 0.00 0.00 60.65 59.50 2ii8 s ILE 11 Cb -0.09 -2.07 0.27 0.00 0.01 0.00 0.00 42.46 40.58 2ii8 s ILE 11 CO 0.00 -0.04 1.76 0.00 0.00 0.00 0.00 174.94 176.67 2ii8 n ALA 12 N 4.53 2.12 -2.65 9.38 0.00 -1.26 -0.87 120.51 131.75 2ii8 n ALA 12 Ca -0.13 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2ii8 n ALA 12 Cb 0.43 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 2ii8 n ALA 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ii8 s GLU 13 N -3.15 2.40 -0.29 0.00 2.56 -1.26 -4.53 118.70 114.44 2ii8 s GLU 13 Ca 0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 54.97 53.90 2ii8 s GLU 13 Cb 0.12 -2.45 0.14 0.00 2.00 0.00 0.00 34.13 33.94 2ii8 s GLU 13 CO 0.54 0.52 1.16 0.20 -0.56 0.00 0.00 175.26 177.11 2ii8 s GLY 14 N -2.32 0.02 -0.30 -1.50 0.00 0.43 -4.66 107.32 98.98 2ii8 s GLY 14 Ca 0.24 2.97 -0.12 0.00 0.00 0.00 0.00 44.72 47.81 2ii8 s GLY 14 CO 0.17 1.92 0.94 -0.47 0.00 0.00 0.00 173.10 175.66 2ii8 s TYR 15 N 0.23 -0.78 -0.32 1.90 6.14 -1.26 -0.93 117.35 122.34 2ii8 s TYR 15 Ca 0.04 1.10 -0.14 0.00 0.64 0.00 0.00 57.07 58.70 2ii8 s TYR 15 Cb -0.05 0.37 -0.02 0.00 0.42 0.00 0.00 41.96 42.68 2ii8 s TYR 15 CO -0.10 -0.41 0.32 0.42 0.64 0.00 0.00 175.55 176.43 2ii8 s ILE 16 N 2.68 5.20 0.67 3.14 1.01 -1.26 -4.61 121.20 128.03 2ii8 s ILE 16 Ca 0.01 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 2ii8 s ILE 16 Cb -0.09 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2ii8 s ILE 16 CO -0.16 0.03 1.21 -2.16 0.00 0.00 0.00 174.94 173.86 2ii8 s PRO 17 N 1.96 2.53 0.00 2.79 0.04 -1.26 0.23 135.00 141.29 2ii8 s PRO 17 Ca 0.11 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.94 2ii8 s PRO 17 Cb -0.16 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2ii8 s PRO 17 CO 0.11 -1.54 0.71 -2.30 0.04 0.00 0.00 177.00 174.02 2ii8 n PRO 18 N -2.20 0.32 0.00 0.56 -0.02 -1.26 -4.49 135.00 127.91 2ii8 n PRO 18 Ca 0.14 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2ii8 n PRO 18 Cb 0.50 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2ii8 n PRO 18 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ii8 n GLU 31 N 2.13 0.00 -4.45 -0.52 -0.58 -1.26 -4.75 120.64 111.20 2ii8 n GLU 31 Ca 0.03 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.45 2ii8 n GLU 31 Cb 0.15 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.86 2ii8 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2ii8 s THR 32 N -1.08 1.98 -0.22 2.62 2.01 -1.26 0.25 115.64 119.94 2ii8 s THR 32 Ca 0.00 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 2ii8 s THR 32 Cb 0.00 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 2ii8 s THR 32 CO 0.00 0.53 0.55 -0.69 -0.69 0.00 0.00 174.62 174.33 2ii8 s VAL 33 N 1.01 5.07 -0.24 3.82 1.01 0.44 -4.42 120.40 127.08 2ii8 s VAL 33 Ca -0.03 1.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 2ii8 s VAL 33 Cb -0.15 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2ii8 s VAL 33 CO -0.06 0.13 0.14 0.00 0.00 0.00 0.00 175.10 175.31 2ii8 s ILE 35 N 1.22 2.38 -0.07 0.00 1.01 0.20 -0.64 121.20 125.31 2ii8 s ILE 35 Ca 0.07 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.81 2ii8 s ILE 35 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2ii8 s ILE 35 CO 0.05 0.57 -0.23 -0.22 0.00 0.00 0.00 174.94 175.12 2ii8 s LEU 36 N -0.32 2.19 -0.36 2.97 2.96 0.78 -1.27 118.68 125.63 2ii8 s LEU 36 Ca 0.02 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2ii8 s LEU 36 Cb -0.13 -1.41 0.09 0.00 0.50 0.00 0.00 46.19 45.24 2ii8 s LEU 36 CO 0.02 0.24 0.10 0.21 -1.32 0.00 0.00 176.35 175.61 2ii8 s ASN 37 N -0.15 5.03 0.00 3.68 2.47 -0.18 -0.92 114.94 124.86 2ii8 s ASN 37 Ca -0.03 -1.78 0.26 0.00 0.42 0.00 0.00 52.86 51.73 2ii8 s ASN 37 Cb -0.14 -1.75 0.67 0.00 -1.45 0.00 0.00 41.25 38.58 2ii8 s ASN 37 CO 0.04 -0.41 1.52 0.00 -3.72 0.00 0.00 177.10 174.53 2ii8 n ALA 38 N 4.54 2.71 -1.96 1.71 0.00 -1.26 -1.35 120.51 124.91 2ii8 n ALA 38 Ca -0.05 -0.53 -0.27 0.00 0.00 0.00 0.00 53.44 52.60 2ii8 n ALA 38 Cb 0.42 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 18.98 2ii8 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii8 s GLY 39 N -2.12 1.76 0.00 0.00 0.00 -1.25 -4.51 107.32 101.20 2ii8 s GLY 39 Ca 0.31 -1.38 0.20 0.00 0.00 0.00 0.00 44.72 43.85 2ii8 s GLY 39 CO 0.38 -0.73 1.44 1.22 0.00 0.00 0.00 173.10 175.40 2ii8 n ASP 40 N -3.29 2.71 -4.08 1.64 8.00 -1.26 -1.29 116.55 118.98 2ii8 n ASP 40 Ca 0.14 -1.92 -0.24 0.00 0.71 0.00 0.00 54.79 53.48 2ii8 n ASP 40 Cb 0.60 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 2ii8 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii8 s GLU 41 N -1.50 1.58 0.38 -1.24 2.12 -1.26 -4.84 118.70 113.94 2ii8 s GLU 41 Ca 0.36 -0.49 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 2ii8 s GLU 41 Cb 0.20 -1.37 -0.11 0.00 0.26 0.00 0.00 34.13 33.11 2ii8 s GLU 41 CO 0.27 0.16 1.20 -0.25 -0.54 0.00 0.00 175.26 176.10 2ii8 n ASP 42 N 3.35 2.25 -4.64 -1.70 8.00 -1.26 -4.17 116.55 118.38 2ii8 n ASP 42 Ca -0.19 1.14 -0.38 0.00 0.71 0.00 0.00 54.79 56.07 2ii8 n ASP 42 Cb 0.53 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.09 2ii8 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ii8 s ALA 43 N -1.16 3.57 -0.54 2.24 0.00 0.12 -4.84 121.76 121.15 2ii8 s ALA 43 Ca 0.59 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 2ii8 s ALA 43 Cb -0.56 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.12 2ii8 s ALA 43 CO 0.60 -0.38 0.66 -1.01 0.00 0.00 0.00 175.76 175.62 2ii8 s HIS 44 N 1.46 3.03 -0.01 0.00 3.76 -1.26 -0.60 115.29 121.67 2ii8 s HIS 44 Ca 0.12 -0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 2ii8 s HIS 44 Cb -0.15 -3.70 -0.06 0.00 1.11 0.00 0.00 32.58 29.79 2ii8 s HIS 44 CO 0.08 -1.12 0.41 0.08 -0.85 0.00 0.00 174.74 173.33 2ii8 s VAL 45 N 2.67 5.04 -0.11 -0.90 1.01 0.88 -3.11 120.40 125.88 2ii8 s VAL 45 Ca 0.14 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2ii8 s VAL 45 Cb -0.21 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2ii8 s VAL 45 CO 0.10 0.56 -0.16 -1.61 0.00 0.00 0.00 175.10 173.99 2ii8 s GLU 46 N -0.97 2.34 -0.12 2.72 2.02 -0.01 -1.72 118.70 122.97 2ii8 s GLU 46 Ca 0.24 -0.61 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 2ii8 s GLU 46 Cb -0.17 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2ii8 s GLU 46 CO 0.13 -0.06 0.06 0.42 0.02 0.00 0.00 175.26 175.83 2ii8 s ILE 47 N 0.97 4.77 -0.06 -1.63 1.01 0.73 -0.29 121.20 126.71 2ii8 s ILE 47 Ca -0.06 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.57 2ii8 s ILE 47 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2ii8 s ILE 47 CO -0.02 0.58 -0.20 -0.89 0.00 0.00 0.00 174.94 174.41 2ii8 s THR 48 N -0.65 2.50 -0.19 2.92 2.01 -0.27 -0.41 115.64 121.56 2ii8 s THR 48 Ca 0.11 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 2ii8 s THR 48 Cb -0.12 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2ii8 s THR 48 CO 0.02 0.57 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.88 2ii8 s ILE 49 N -0.33 3.88 0.05 1.82 -1.09 -0.22 -0.53 121.20 124.77 2ii8 s ILE 49 Ca 0.02 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 2ii8 s ILE 49 Cb -0.13 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2ii8 s ILE 49 CO 0.02 0.45 0.01 -0.31 -1.23 0.00 0.00 174.94 173.88 2ii8 s TYR 50 N 0.82 3.05 0.33 3.97 1.51 0.56 -1.17 117.35 126.42 2ii8 s TYR 50 Ca -0.00 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 2ii8 s TYR 50 Cb -0.14 -1.61 -0.07 0.00 -0.11 0.00 0.00 41.96 40.03 2ii8 s TYR 50 CO 0.02 0.48 -0.01 0.71 -1.11 0.00 0.00 175.55 175.64 2ii8 s TYR 51 N -1.22 2.12 -0.45 2.71 2.02 -1.26 -1.30 117.35 119.97 2ii8 s TYR 51 Ca 0.23 -0.76 0.26 0.00 -0.37 0.00 0.00 57.07 56.43 2ii8 s TYR 51 Cb -0.12 -1.34 0.90 0.00 -0.40 0.00 0.00 41.96 41.00 2ii8 s TYR 51 CO 0.15 0.25 1.77 0.66 -1.57 0.00 0.00 175.55 176.81 2ii8 h SER 52 N 2.09 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 117.19 2ii8 h SER 52 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2ii8 h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ii8 h SER 52 CO 0.71 0.00 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.72 2ii8 n ASP 53 N -2.54 0.00 -3.86 4.97 5.68 -1.26 -5.10 116.55 114.43 2ii8 n ASP 53 Ca 0.03 -1.10 -0.09 0.00 -0.50 0.00 0.00 54.79 53.14 2ii8 n ASP 53 Cb 0.36 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.24 2ii8 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii8 s LYS 54 N 0.00 0.85 0.62 0.11 -2.85 -1.26 -5.15 119.74 112.06 2ii8 s LYS 54 Ca 0.00 -0.97 -0.18 0.00 -1.00 0.00 0.00 55.97 53.82 2ii8 s LYS 54 Cb 0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 2ii8 s LYS 54 CO 0.00 -0.27 1.01 0.39 0.10 0.00 0.00 175.35 176.57 2ii8 n GLU 55 N -0.06 0.88 -0.89 1.78 -0.58 -1.26 -4.09 120.64 116.42 2ii8 n GLU 55 Ca -0.15 0.35 -0.31 0.00 -0.42 0.00 0.00 57.16 56.63 2ii8 n GLU 55 Cb 0.62 -2.22 0.15 0.00 -0.57 0.00 0.00 31.44 29.42 2ii8 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii8 s PRO 56 N -2.89 1.27 -0.09 3.49 0.04 -1.26 -4.75 135.00 130.80 2ii8 s PRO 56 Ca 0.78 1.34 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2ii8 s PRO 56 Cb -0.40 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2ii8 s PRO 56 CO 0.45 -2.39 -0.23 0.08 0.04 0.00 0.00 177.00 174.96 2ii8 s VAL 57 N -2.73 1.97 -4.74 -0.36 1.01 -0.32 -4.95 120.40 110.28 2ii8 s VAL 57 Ca 0.65 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2ii8 s VAL 57 Cb -0.21 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2ii8 s VAL 57 CO 0.58 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.83 2ii8 n GLY 58 N 3.50 -1.35 3.72 4.51 0.00 -1.26 -1.06 105.19 113.25 2ii8 n GLY 58 Ca -0.19 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2ii8 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii8 s PRO 59 N -1.89 4.58 -0.20 1.61 0.04 -1.26 -4.99 135.00 132.89 2ii8 s PRO 59 Ca 0.00 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2ii8 s PRO 59 Cb 0.00 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2ii8 s PRO 59 CO 0.00 0.01 0.93 0.71 0.04 0.00 0.00 177.00 178.69 2ii8 s TYR 60 N 0.36 3.38 -0.05 0.56 1.51 0.46 -4.45 117.35 119.11 2ii8 s TYR 60 Ca 0.51 1.35 -0.04 0.00 -1.01 0.00 0.00 57.07 57.88 2ii8 s TYR 60 Cb -0.26 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.42 2ii8 s TYR 60 CO 0.31 -0.36 0.16 1.03 -1.11 0.00 0.00 175.55 175.59 2ii8 s ARG 61 N 2.64 3.43 0.13 -0.62 0.52 -1.26 -0.19 118.95 123.60 2ii8 s ARG 61 Ca 0.41 -0.25 -0.24 0.00 -0.52 0.00 0.00 55.73 55.13 2ii8 s ARG 61 Cb -0.16 -3.13 0.08 0.00 0.52 0.00 0.00 34.95 32.26 2ii8 s ARG 61 CO 0.10 0.72 0.65 -0.48 0.02 0.00 0.00 175.30 176.30 2ii8 s LEU 62 N -1.57 -0.54 -0.09 2.53 0.05 -0.70 -5.02 118.68 113.34 2ii8 s LEU 62 Ca 0.22 0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.44 2ii8 s LEU 62 Cb -0.12 2.50 -0.01 0.00 -2.05 0.00 0.00 46.19 46.51 2ii8 s LEU 62 CO 0.13 -0.91 -0.18 -0.89 -0.55 0.00 0.00 176.35 173.94 2ii8 s THR 63 N -3.62 2.61 -0.30 5.48 2.01 -1.26 -0.08 115.64 120.47 2ii8 s THR 63 Ca 0.02 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 2ii8 s THR 63 Cb -0.01 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.51 2ii8 s THR 63 CO -0.12 0.55 0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 2ii8 s VAL 64 N 0.02 3.11 0.75 3.82 1.01 0.23 -4.97 120.40 124.38 2ii8 s VAL 64 Ca -0.07 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 2ii8 s VAL 64 Cb -0.15 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.52 2ii8 s VAL 64 CO 0.05 -0.08 1.21 -2.84 0.00 0.00 0.00 175.10 173.43 2ii8 s PRO 65 N 1.29 2.01 0.05 2.72 0.02 -1.26 0.12 135.00 139.95 2ii8 s PRO 65 Ca -0.04 1.77 -0.38 0.00 0.02 0.00 0.00 61.00 62.37 2ii8 s PRO 65 Cb -0.19 -1.82 -0.18 0.00 0.02 0.00 0.00 34.50 32.33 2ii8 s PRO 65 CO -0.01 -1.94 1.17 0.00 -0.33 0.00 0.00 177.00 175.89 2ii8 n ALA 66 N -2.86 -2.32 -3.74 -1.55 0.00 -1.26 -2.32 120.51 106.46 2ii8 n ALA 66 Ca 0.14 0.55 -0.25 0.00 0.00 0.00 0.00 53.44 53.88 2ii8 n ALA 66 Cb 0.50 -1.90 0.04 0.00 0.00 0.00 0.00 19.45 18.09 2ii8 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii8 n ARG 67 N 1.92 -5.86 -4.09 0.00 1.74 -0.41 -4.99 116.66 104.97 2ii8 n ARG 67 Ca 0.19 0.67 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 2ii8 n ARG 67 Cb 0.14 -5.49 -0.09 0.00 -1.02 0.00 0.00 32.46 26.00 2ii8 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii8 s ARG 68 N -6.23 1.02 0.34 5.56 1.81 -0.90 -4.98 118.95 115.57 2ii8 s ARG 68 Ca 0.36 -1.36 0.08 0.00 -1.72 0.00 0.00 55.73 53.10 2ii8 s ARG 68 Cb -0.18 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.58 2ii8 s ARG 68 CO 0.80 -0.32 0.18 -0.08 -0.68 0.00 0.00 175.30 175.20 2ii8 s THR 69 N -4.03 3.10 -0.23 0.02 -1.32 -1.26 -1.01 115.64 110.91 2ii8 s THR 69 Ca 0.22 -1.62 -0.17 0.00 -1.21 0.00 0.00 61.69 58.92 2ii8 s THR 69 Cb 0.06 -3.02 0.07 0.00 -1.51 0.00 0.00 72.50 68.09 2ii8 s THR 69 CO 0.02 -0.17 0.59 -0.75 -2.21 0.00 0.00 174.62 172.10 2ii8 s LYS 70 N -3.89 0.64 -0.21 7.08 2.20 -0.40 -4.90 119.74 120.26 2ii8 s LYS 70 Ca 0.39 0.97 -0.08 0.00 -0.36 0.00 0.00 55.97 56.88 2ii8 s LYS 70 Cb -0.03 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2ii8 s LYS 70 CO 0.24 -0.12 0.09 -1.01 -0.36 0.00 0.00 175.35 174.18 2ii8 s HIS 71 N 1.01 3.23 -0.19 4.03 3.76 -1.26 -0.62 115.29 125.24 2ii8 s HIS 71 Ca -0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 2ii8 s HIS 71 Cb -0.05 -2.17 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 2ii8 s HIS 71 CO -0.09 0.01 -0.12 0.08 -0.85 0.00 0.00 174.74 173.77 2ii8 s VAL 72 N 0.85 2.85 -0.19 -0.90 1.01 0.21 -4.97 120.40 119.26 2ii8 s VAL 72 Ca 0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2ii8 s VAL 72 Cb -0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2ii8 s VAL 72 CO 0.03 0.48 0.39 -0.13 0.00 0.00 0.00 175.10 175.87 2ii8 s ARG 73 N 1.18 4.19 0.34 2.72 0.52 -1.26 -0.42 118.95 126.22 2ii8 s ARG 73 Ca 0.02 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 2ii8 s ARG 73 Cb -0.14 -3.52 0.67 0.00 0.52 0.00 0.00 34.95 32.47 2ii8 s ARG 73 CO -0.04 -0.00 1.96 0.74 0.02 0.00 0.00 175.30 177.98 2ii8 h PHE 74 N 7.27 0.84 -1.01 -0.53 0.04 -0.60 -1.04 116.94 121.91 2ii8 h PHE 74 Ca -0.37 0.02 0.27 0.00 2.80 0.00 0.00 57.97 60.70 2ii8 h PHE 74 Cb 1.16 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 38.97 2ii8 h PHE 74 CO 0.67 0.46 0.69 -0.97 -0.60 0.00 0.00 178.31 178.57 2ii8 h ASN 75 N 0.85 0.21 0.47 2.17 -0.00 -1.93 -2.53 115.58 114.81 2ii8 h ASN 75 Ca 0.31 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.64 2ii8 h ASN 75 Cb 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2ii8 h ASN 75 CO -0.10 0.05 -0.25 0.47 -0.00 0.00 0.00 177.43 177.61 2ii8 n ASP 76 N -4.40 0.53 -4.73 1.15 8.00 -0.40 -4.90 116.55 111.81 2ii8 n ASP 76 Ca 0.22 -0.38 -0.41 0.00 0.71 0.00 0.00 54.79 54.93 2ii8 n ASP 76 Cb 0.96 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 2ii8 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii8 s LEU 77 N -2.72 4.43 0.00 0.64 1.02 -0.95 -4.89 118.68 116.20 2ii8 s LEU 77 Ca 0.20 2.04 0.00 0.00 0.02 0.00 0.00 54.13 56.40 2ii8 s LEU 77 Cb 0.19 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.81 2ii8 s LEU 77 CO 0.56 -0.34 0.00 -0.46 0.02 0.00 0.00 176.35 176.13 2ii8 n ASN 78 N 3.12 0.00 -4.16 2.29 2.04 -1.26 -4.06 115.26 113.23 2ii8 n ASN 78 Ca 0.06 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.86 2ii8 n ASN 78 Cb 0.46 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.57 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2ii8 s ASP 79 N 0.00 4.35 0.11 0.53 -1.08 -1.26 -0.67 116.67 118.65 2ii8 s ASP 79 Ca 0.00 -1.05 0.27 0.00 -0.52 0.00 0.00 52.55 51.25 2ii8 s ASP 79 Cb 0.00 -1.63 0.84 0.00 -1.46 0.00 0.00 42.92 40.67 2ii8 s ASP 79 CO 0.00 -0.16 1.72 -0.81 0.52 0.00 0.00 175.17 176.44 2ii8 n PRO 80 N 4.60 0.16 -3.58 4.34 -0.04 -1.26 -4.28 135.00 134.95 2ii8 n PRO 80 Ca -0.16 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 2ii8 n PRO 80 Cb 0.45 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 2ii8 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ii8 s ALA 81 N -3.07 -1.94 0.80 0.55 0.00 0.15 -5.14 121.76 113.11 2ii8 s ALA 81 Ca 0.11 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 2ii8 s ALA 81 Cb 0.15 -0.70 0.08 0.00 0.00 0.00 0.00 23.12 22.65 2ii8 s ALA 81 CO 0.61 -0.33 1.12 -2.14 0.00 0.00 0.00 175.76 175.02 2ii8 s PRO 82 N -1.22 1.89 -0.25 0.00 0.02 -1.23 -4.13 135.00 130.09 2ii8 s PRO 82 Ca -0.01 1.38 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 2ii8 s PRO 82 Cb -0.01 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2ii8 s PRO 82 CO 0.00 -1.95 0.40 0.42 -0.33 0.00 0.00 177.00 175.55 2ii8 s ILE 83 N -2.66 5.17 0.43 2.83 1.01 -1.26 -5.01 121.20 121.71 2ii8 s ILE 83 Ca 0.65 0.65 -0.24 0.00 0.00 0.00 0.00 60.65 61.71 2ii8 s ILE 83 Cb -0.21 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 2ii8 s ILE 83 CO 0.54 0.17 1.11 -0.81 0.00 0.00 0.00 174.94 175.95 2ii8 n PRO 84 N 5.12 1.53 -2.11 2.79 -0.04 -1.26 -4.98 135.00 136.05 2ii8 n PRO 84 Ca -0.08 0.55 -0.27 0.00 -0.04 0.00 0.00 63.50 63.66 2ii8 n PRO 84 Cb 0.51 -2.18 0.07 0.00 -0.04 0.00 0.00 33.50 31.86 2ii8 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii8 s HIS 85 N -1.26 2.97 -1.35 0.54 3.76 -1.26 -3.93 115.29 114.75 2ii8 s HIS 85 Ca 0.63 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 2ii8 s HIS 85 Cb -0.53 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 29.91 2ii8 s HIS 85 CO 0.57 -1.47 0.00 -3.47 -0.85 0.00 0.00 174.74 169.52 2ii8 n ASP 86 N -3.02 -4.53 -4.03 1.40 2.03 0.63 -4.92 116.55 104.11 2ii8 n ASP 86 Ca 0.08 0.16 -0.27 0.00 0.52 0.00 0.00 54.79 55.27 2ii8 n ASP 86 Cb 0.60 -3.86 -0.17 0.00 -0.72 0.00 0.00 41.12 36.98 2ii8 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii8 s THR 87 N -2.70 1.36 0.24 5.18 2.01 -1.25 -5.02 115.64 115.44 2ii8 s THR 87 Ca 0.00 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 2ii8 s THR 87 Cb 0.00 -1.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.16 2ii8 s THR 87 CO 0.00 0.41 1.42 -1.81 -0.69 0.00 0.00 174.62 173.95 2ii8 s ASP 88 N 0.99 6.70 0.33 3.53 1.01 -1.26 -4.24 116.67 123.72 2ii8 s ASP 88 Ca -0.07 2.61 -0.03 0.00 0.71 0.00 0.00 52.55 55.77 2ii8 s ASP 88 Cb -0.15 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.16 2ii8 s ASP 88 CO -0.01 -0.67 0.45 0.72 0.21 0.00 0.00 175.17 175.87 2ii8 s PHE 89 N 0.06 1.04 0.06 4.23 -0.71 -0.10 -4.33 117.98 118.24 2ii8 s PHE 89 Ca 0.59 -1.27 -0.01 0.00 -1.04 0.00 0.00 56.93 55.21 2ii8 s PHE 89 Cb -0.41 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.25 2ii8 s PHE 89 CO 0.42 -1.09 -0.02 0.00 -1.34 0.00 0.00 175.22 173.19 2ii8 s ALA 90 N -3.20 0.57 0.10 1.99 0.00 -0.42 -0.43 121.76 120.38 2ii8 s ALA 90 Ca 0.31 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2ii8 s ALA 90 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2ii8 s ALA 90 CO 0.19 -0.39 -0.10 -1.54 0.00 0.00 0.00 175.76 173.93 2ii8 s SER 91 N -2.94 1.46 -0.09 0.00 1.04 -0.05 -0.32 113.70 112.79 2ii8 s SER 91 Ca 0.10 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.71 2ii8 s SER 91 Cb 0.08 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2ii8 s SER 91 CO -0.08 -0.29 -0.22 -0.69 0.98 0.00 0.00 173.24 172.93 2ii8 s VAL 92 N -2.67 2.22 -0.21 5.02 1.01 0.31 -0.39 120.40 125.69 2ii8 s VAL 92 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2ii8 s VAL 92 Cb -0.01 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2ii8 s VAL 92 CO -0.00 0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 174.93 2ii8 s ILE 93 N 0.21 2.88 0.12 2.22 1.01 0.12 -1.11 121.20 126.65 2ii8 s ILE 93 Ca -0.14 -0.70 0.11 0.00 0.00 0.00 0.00 60.65 59.91 2ii8 s ILE 93 Cb -0.17 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2ii8 s ILE 93 CO 0.07 0.43 -0.26 -1.10 0.00 0.00 0.00 174.94 174.08 2ii8 s GLN 94 N 1.40 1.40 0.01 2.79 -0.21 0.61 -0.77 119.66 124.89 2ii8 s GLN 94 Ca 0.05 -1.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.06 2ii8 s GLN 94 Cb -0.14 -1.85 -0.00 0.00 1.00 0.00 0.00 33.01 32.02 2ii8 s GLN 94 CO -0.07 0.44 0.12 0.45 -2.12 0.00 0.00 175.29 174.11 2ii8 s SER 95 N -1.97 0.06 0.36 5.90 0.15 0.02 -0.83 113.70 117.39 2ii8 s SER 95 Ca 0.13 -0.27 0.14 0.00 0.70 0.00 0.00 55.95 56.64 2ii8 s SER 95 Cb -0.10 0.20 0.70 0.00 -1.71 0.00 0.00 66.02 65.11 2ii8 s SER 95 CO 0.05 -0.38 1.80 -0.55 1.20 0.00 0.00 173.24 175.36 2ii8 h ASN 96 N 4.23 0.00 -3.77 5.45 -0.00 -1.86 -3.44 115.58 116.18 2ii8 h ASN 96 Ca -0.31 0.00 -0.48 0.00 -0.00 0.00 0.00 56.30 55.51 2ii8 h ASN 96 Cb 1.19 0.00 -0.18 0.00 -0.00 0.00 0.00 38.32 39.33 2ii8 h ASN 96 CO 0.42 0.40 -0.78 0.68 -0.00 0.00 0.00 177.43 178.15 2ii8 s VAL 97 N -4.04 1.63 0.35 6.14 -7.23 -1.26 -5.04 120.40 110.95 2ii8 s VAL 97 Ca -0.02 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 2ii8 s VAL 97 Cb 0.14 -1.71 -0.11 0.00 0.56 0.00 0.00 36.38 35.25 2ii8 s VAL 97 CO 0.72 -0.34 1.50 -2.65 -0.31 0.00 0.00 175.10 174.02 2ii8 n PRO 98 N 0.42 2.64 -4.20 4.82 -0.02 -1.26 -4.56 135.00 132.83 2ii8 n PRO 98 Ca -0.14 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2ii8 n PRO 98 Cb 0.57 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 2ii8 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii8 s ILE 99 N -0.81 0.64 -0.11 4.25 -4.36 -0.54 -4.68 121.20 115.59 2ii8 s ILE 99 Ca 0.56 -1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2ii8 s ILE 99 Cb -0.49 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 2ii8 s ILE 99 CO 0.60 -0.67 -0.04 -0.69 0.24 0.00 0.00 174.94 174.37 2ii8 s VAL 100 N -3.67 3.93 -0.07 8.37 1.01 -0.10 -0.98 120.40 128.90 2ii8 s VAL 100 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2ii8 s VAL 100 Cb 0.06 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2ii8 s VAL 100 CO -0.01 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 2ii8 s VAL 101 N -0.37 1.14 0.07 2.92 1.01 -1.26 -0.15 120.40 123.75 2ii8 s VAL 101 Ca 0.06 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2ii8 s VAL 101 Cb -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2ii8 s VAL 101 CO 0.02 0.36 -0.16 -1.58 0.00 0.00 0.00 175.10 173.74 2ii8 s GLN 102 N 0.68 0.98 0.00 2.72 0.74 0.19 -5.00 119.66 119.97 2ii8 s GLN 102 Ca -0.14 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.32 2ii8 s GLN 102 Cb -0.16 -1.05 0.00 0.00 1.10 0.00 0.00 33.01 32.90 2ii8 s GLN 102 CO 0.04 0.25 0.50 -2.39 -0.55 0.00 0.00 175.29 173.13