#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii8 s SER 3 N 0.00 5.81 -0.04 1.45 0.15 -1.26 -3.42 113.70 116.39 2ii8 s SER 3 Ca 0.00 -1.89 0.01 0.00 0.70 0.00 0.00 55.95 54.77 2ii8 s SER 3 Cb 0.00 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 2ii8 s SER 3 CO 0.00 -0.73 -0.06 -0.63 1.20 0.00 0.00 173.24 173.02 2ii8 s ILE 4 N 1.40 0.60 0.00 6.45 1.01 -1.26 -5.08 121.20 124.32 2ii8 s ILE 4 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2ii8 s ILE 4 Cb -0.27 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2ii8 s ILE 4 CO -0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2ii8 n GLY 5 N 3.82 -0.02 3.58 6.18 0.00 -1.26 -3.82 105.19 113.66 2ii8 n GLY 5 Ca -0.23 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 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 1.57 0.00 1.61 1.70 -0.08 -4.66 118.95 119.08 2ii8 s ARG 6 Ca 0.00 -1.29 0.27 0.00 -0.47 0.00 0.00 55.73 54.24 2ii8 s ARG 6 Cb 0.00 0.47 0.92 0.00 -0.57 0.00 0.00 34.95 35.76 2ii8 s ARG 6 CO 0.00 -0.65 1.68 0.25 -1.08 0.00 0.00 175.30 175.49 2ii8 n THR 7 N -0.39 0.00 -3.71 4.99 -2.24 -1.26 -1.62 114.28 110.05 2ii8 n THR 7 Ca -0.01 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2ii8 n THR 7 Cb 0.62 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.56 1.02 -0.02 0.00 0.52 -0.05 -5.00 118.94 116.97 2ii8 s TRP 9 Ca -0.06 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.77 2ii8 s TRP 9 Cb -0.11 -0.61 -0.01 0.00 -1.15 0.00 0.00 33.47 31.59 2ii8 s TRP 9 CO -0.08 0.00 -0.14 0.00 0.02 0.00 0.00 176.95 176.75 2ii8 s ALA 10 N -0.79 1.20 -0.26 0.98 0.00 -1.26 -0.04 121.76 121.58 2ii8 s ALA 10 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2ii8 s ALA 10 Cb -0.07 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.75 2ii8 s ALA 10 CO 0.01 0.26 -0.07 0.42 0.00 0.00 0.00 175.76 176.37 2ii8 s ILE 11 N -0.16 2.55 -0.71 0.00 1.01 0.23 -5.01 121.20 119.12 2ii8 s ILE 11 Ca 0.02 -1.39 0.24 0.00 0.00 0.00 0.00 60.65 59.52 2ii8 s ILE 11 Cb -0.07 -2.42 0.25 0.00 0.01 0.00 0.00 42.46 40.23 2ii8 s ILE 11 CO 0.00 0.03 1.74 0.00 0.00 0.00 0.00 174.94 176.72 2ii8 n ALA 12 N 4.55 2.00 -2.50 9.38 0.00 -1.26 -1.06 120.51 131.61 2ii8 n ALA 12 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 2ii8 n ALA 12 Cb 0.44 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 1.32 -0.29 0.00 2.56 -1.26 -4.50 118.70 113.37 2ii8 s GLU 13 Ca 0.08 -0.99 -0.22 0.00 0.00 0.00 0.00 54.97 53.84 2ii8 s GLU 13 Cb 0.12 -1.46 0.15 0.00 2.00 0.00 0.00 34.13 34.93 2ii8 s GLU 13 CO 0.48 0.37 1.11 0.20 -0.56 0.00 0.00 175.26 176.85 2ii8 s GLY 14 N -1.35 0.03 -0.29 -1.50 0.00 -0.30 -4.80 107.32 99.12 2ii8 s GLY 14 Ca 0.07 3.02 -0.14 0.00 0.00 0.00 0.00 44.72 47.67 2ii8 s GLY 14 CO 0.02 2.10 0.79 -0.47 0.00 0.00 0.00 173.10 175.54 2ii8 s TYR 15 N 0.52 -0.97 -0.29 1.90 6.14 -1.26 -0.70 117.35 122.69 2ii8 s TYR 15 Ca 0.00 1.82 -0.07 0.00 0.64 0.00 0.00 57.07 59.47 2ii8 s TYR 15 Cb -0.04 0.58 0.01 0.00 0.42 0.00 0.00 41.96 42.92 2ii8 s TYR 15 CO -0.10 -0.48 0.08 0.42 0.64 0.00 0.00 175.55 176.10 2ii8 s ILE 16 N 2.00 3.97 0.66 3.14 1.01 -1.26 -4.87 121.20 125.85 2ii8 s ILE 16 Ca -0.08 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 2ii8 s ILE 16 Cb -0.07 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.37 2ii8 s ILE 16 CO -0.18 0.10 1.10 -2.16 0.00 0.00 0.00 174.94 173.80 2ii8 s PRO 17 N 1.51 2.83 -1.04 2.79 0.04 -1.26 0.15 135.00 140.01 2ii8 s PRO 17 Ca 0.03 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 2ii8 s PRO 17 Cb -0.17 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2ii8 s PRO 17 CO 0.02 -1.22 1.38 -2.14 0.04 0.00 0.00 177.00 175.08 2ii8 s PRO 18 N -4.19 3.69 -0.04 0.56 0.02 -1.26 -4.58 135.00 129.20 2ii8 s PRO 18 Ca 0.66 -1.58 0.14 0.00 0.02 0.00 0.00 61.00 60.24 2ii8 s PRO 18 Cb -0.19 -5.21 0.48 0.00 0.02 0.00 0.00 34.50 29.60 2ii8 s PRO 18 CO 0.42 -2.03 1.37 2.48 -0.33 0.00 0.00 177.00 178.92 2ii8 n TYR 19 N 7.74 0.86 -4.25 6.54 4.11 -1.26 -5.06 117.16 125.85 2ii8 n TYR 19 Ca 0.32 -0.38 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 2ii8 n TYR 19 Cb 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2ii8 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ii8 n GLY 20 N 1.10 -0.53 0.02 -7.48 0.00 -1.26 -4.61 105.19 92.42 2ii8 n GLY 20 Ca 0.18 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.20 2ii8 n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ii8 n ASN 21 N -0.41 0.64 -2.78 1.61 5.03 -1.26 -4.89 115.26 113.20 2ii8 n ASN 21 Ca 0.00 -0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.15 2ii8 n ASN 21 Cb 0.00 0.63 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2ii8 n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ii8 n GLY 22 N 1.42 -1.84 3.78 7.41 0.00 -1.26 -5.05 105.19 109.65 2ii8 n GLY 22 Ca 0.03 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2ii8 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii8 s PRO 23 N -1.66 1.96 0.00 1.61 0.04 -1.26 -5.11 135.00 130.59 2ii8 s PRO 23 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2ii8 s PRO 23 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2ii8 s PRO 23 CO 0.00 -1.73 0.00 -0.85 0.04 0.00 0.00 177.00 174.46 2ii8 n GLU 24 N -3.52 0.00 -3.45 4.56 0.28 -1.26 -5.03 120.64 112.22 2ii8 n GLU 24 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.88 2ii8 n GLU 24 Cb 0.56 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.31 2ii8 n GLU 24 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2ii8 s HIS 30 N 0.20 -0.31 -0.57 -1.84 -3.43 -1.26 -5.24 115.29 102.85 2ii8 s HIS 30 Ca 0.00 -0.13 -0.27 0.00 -0.80 0.00 0.00 55.06 53.86 2ii8 s HIS 30 Cb 0.00 -0.48 -0.02 0.00 -1.43 0.00 0.00 32.58 30.65 2ii8 s HIS 30 CO 0.00 -0.81 1.89 -2.00 -2.00 0.00 0.00 174.74 171.82 2ii8 s GLU 31 N 2.32 2.68 -0.07 -0.38 2.56 -1.26 -4.87 118.70 119.68 2ii8 s GLU 31 Ca 0.09 0.77 0.01 0.00 0.00 0.00 0.00 54.97 55.84 2ii8 s GLU 31 Cb -0.15 -4.38 0.02 0.00 2.00 0.00 0.00 34.13 31.63 2ii8 s GLU 31 CO -0.27 -2.66 -0.07 0.99 -0.56 0.00 0.00 175.26 172.70 2ii8 s THR 32 N 9.01 0.79 -0.29 -1.70 2.01 -1.26 -1.29 115.64 122.90 2ii8 s THR 32 Ca 0.71 -0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 2ii8 s THR 32 Cb -0.14 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2ii8 s THR 32 CO 0.23 0.30 0.62 -0.69 -0.69 0.00 0.00 174.62 174.39 2ii8 s VAL 33 N 1.19 4.95 -0.13 3.82 1.01 0.62 -1.16 120.40 130.70 2ii8 s VAL 33 Ca -0.06 0.90 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 2ii8 s VAL 33 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2ii8 s VAL 33 CO -0.02 -0.10 0.45 0.00 0.00 0.00 0.00 175.10 175.43 2ii8 s ILE 35 N 0.63 2.02 -0.13 0.00 1.01 0.13 -1.34 121.20 123.52 2ii8 s ILE 35 Ca 0.24 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2ii8 s ILE 35 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 2ii8 s ILE 35 CO 0.09 0.55 -0.05 -0.22 0.00 0.00 0.00 174.94 175.31 2ii8 s LEU 36 N 0.43 3.19 -0.39 2.97 2.96 0.82 -0.47 118.68 128.18 2ii8 s LEU 36 Ca -0.17 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2ii8 s LEU 36 Cb -0.18 -1.75 0.11 0.00 0.50 0.00 0.00 46.19 44.87 2ii8 s LEU 36 CO 0.07 0.21 0.16 0.21 -1.32 0.00 0.00 176.35 175.69 2ii8 s ASN 37 N 0.09 5.14 0.00 3.68 3.04 -0.12 -1.43 114.94 125.34 2ii8 s ASN 37 Ca -0.01 -2.03 0.24 0.00 0.04 0.00 0.00 52.86 51.10 2ii8 s ASN 37 Cb -0.14 -1.78 0.94 0.00 -1.54 0.00 0.00 41.25 38.73 2ii8 s ASN 37 CO 0.03 -0.50 1.67 0.00 -3.04 0.00 0.00 177.10 175.26 2ii8 n ALA 38 N 4.52 2.55 -1.98 1.71 0.00 -1.26 -0.91 120.51 125.15 2ii8 n ALA 38 Ca -0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 2ii8 n ALA 38 Cb 0.42 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.76 1.76 0.00 0.00 0.00 -1.22 -4.47 107.32 101.63 2ii8 s GLY 39 Ca 0.35 -1.55 0.26 0.00 0.00 0.00 0.00 44.72 43.78 2ii8 s GLY 39 CO 0.29 -0.99 1.45 1.22 0.00 0.00 0.00 173.10 175.08 2ii8 n ASP 40 N -2.94 2.00 -4.25 1.64 8.00 -1.26 -1.12 116.55 118.62 2ii8 n ASP 40 Ca 0.14 -1.57 -0.30 0.00 0.71 0.00 0.00 54.79 53.77 2ii8 n ASP 40 Cb 0.60 0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.16 2.13 0.40 -1.24 2.12 -1.26 -4.78 118.70 113.91 2ii8 s GLU 41 Ca 0.29 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.53 2ii8 s GLU 41 Cb 0.20 -1.93 -0.11 0.00 0.26 0.00 0.00 34.13 32.55 2ii8 s GLU 41 CO 0.39 0.43 1.11 -0.25 -0.54 0.00 0.00 175.26 176.40 2ii8 n ASP 42 N 2.74 1.77 -4.54 -1.70 8.00 -1.26 -4.19 116.55 117.38 2ii8 n ASP 42 Ca -0.17 1.08 -0.39 0.00 0.71 0.00 0.00 54.79 56.03 2ii8 n ASP 42 Cb 0.52 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.11 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 -1.22 3.46 -0.68 2.24 0.00 0.10 -4.83 121.76 120.83 2ii8 s ALA 43 Ca 0.61 -1.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 2ii8 s ALA 43 Cb -0.56 -2.52 0.09 0.00 0.00 0.00 0.00 23.12 20.12 2ii8 s ALA 43 CO 0.58 -0.77 0.94 -1.01 0.00 0.00 0.00 175.76 175.49 2ii8 s HIS 44 N 1.72 2.80 0.05 0.00 3.76 -1.26 -0.85 115.29 121.50 2ii8 s HIS 44 Ca 0.06 -0.75 -0.19 0.00 -0.15 0.00 0.00 55.06 54.03 2ii8 s HIS 44 Cb -0.17 -4.24 -0.06 0.00 1.11 0.00 0.00 32.58 29.22 2ii8 s HIS 44 CO 0.10 -1.56 0.56 0.08 -0.85 0.00 0.00 174.74 173.07 2ii8 s VAL 45 N 3.60 4.80 -0.15 -0.90 1.01 0.43 -3.56 120.40 125.64 2ii8 s VAL 45 Ca 0.21 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2ii8 s VAL 45 Cb -0.17 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2ii8 s VAL 45 CO 0.07 0.52 -0.14 -1.61 0.00 0.00 0.00 175.10 173.94 2ii8 s GLU 46 N -0.88 2.28 -0.09 2.72 2.02 0.58 -1.89 118.70 123.43 2ii8 s GLU 46 Ca 0.29 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 2ii8 s GLU 46 Cb -0.19 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2ii8 s GLU 46 CO 0.18 -0.25 0.08 0.42 0.02 0.00 0.00 175.26 175.71 2ii8 s ILE 47 N 1.49 4.95 -0.04 -1.63 1.01 0.04 -0.47 121.20 126.54 2ii8 s ILE 47 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.71 2ii8 s ILE 47 Cb -0.13 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 2ii8 s ILE 47 CO -0.11 0.59 -0.21 -0.89 0.00 0.00 0.00 174.94 174.32 2ii8 s THR 48 N -0.99 1.68 -0.18 2.92 2.01 -0.13 -0.53 115.64 120.43 2ii8 s THR 48 Ca 0.15 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 2ii8 s THR 48 Cb -0.12 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 2ii8 s THR 48 CO 0.04 0.48 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 2ii8 s ILE 49 N -0.14 3.71 0.06 1.82 -1.09 -0.39 -0.68 121.20 124.49 2ii8 s ILE 49 Ca -0.01 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 2ii8 s ILE 49 Cb -0.12 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 2ii8 s ILE 49 CO 0.02 0.47 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.85 2ii8 s TYR 50 N 0.73 2.92 0.28 3.97 1.51 0.74 -1.11 117.35 126.39 2ii8 s TYR 50 Ca -0.02 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.04 2ii8 s TYR 50 Cb -0.15 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.10 2ii8 s TYR 50 CO 0.02 0.44 0.01 0.71 -1.11 0.00 0.00 175.55 175.62 2ii8 s TYR 51 N -1.20 1.80 -0.18 2.71 2.02 -1.26 -1.00 117.35 120.25 2ii8 s TYR 51 Ca 0.22 -0.89 0.24 0.00 -0.37 0.00 0.00 57.07 56.27 2ii8 s TYR 51 Cb -0.11 -1.09 0.58 0.00 -0.40 0.00 0.00 41.96 40.94 2ii8 s TYR 51 CO 0.14 0.04 1.69 0.66 -1.57 0.00 0.00 175.55 176.51 2ii8 h SER 52 N 2.29 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 117.39 2ii8 h SER 52 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2ii8 h SER 52 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2ii8 h SER 52 CO 0.67 0.14 -0.22 -0.90 -0.87 0.00 0.00 176.83 175.65 2ii8 n ASP 53 N -3.17 0.26 -3.68 4.97 5.68 -1.26 -5.08 116.55 114.26 2ii8 n ASP 53 Ca 0.02 -1.63 -0.10 0.00 -0.50 0.00 0.00 54.79 52.58 2ii8 n ASP 53 Cb 0.51 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.24 1.00 0.73 0.11 -2.85 -1.26 -5.16 119.74 112.08 2ii8 s LYS 54 Ca 0.02 -0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 54.11 2ii8 s LYS 54 Cb 0.02 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2ii8 s LYS 54 CO 0.00 -0.37 0.99 0.39 0.10 0.00 0.00 175.35 176.46 2ii8 n GLU 55 N -0.10 0.47 -1.32 1.78 -0.58 -1.26 -4.18 120.64 115.44 2ii8 n GLU 55 Ca -0.16 0.22 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 2ii8 n GLU 55 Cb 0.63 -2.25 0.08 0.00 -0.57 0.00 0.00 31.44 29.34 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 -3.43 2.39 -0.08 3.49 0.04 -1.26 -4.75 135.00 131.39 2ii8 s PRO 56 Ca 0.73 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.94 2ii8 s PRO 56 Cb -0.34 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 2ii8 s PRO 56 CO 0.50 -1.53 -0.24 0.08 0.04 0.00 0.00 177.00 175.85 2ii8 s VAL 57 N -2.93 1.99 -5.00 -0.36 1.01 -0.26 -4.94 120.40 109.91 2ii8 s VAL 57 Ca 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2ii8 s VAL 57 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2ii8 s VAL 57 CO 0.56 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.82 2ii8 n GLY 58 N 3.30 -0.60 3.74 4.51 0.00 -1.26 -1.26 105.19 113.62 2ii8 n GLY 58 Ca -0.19 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 4.63 -0.37 1.61 0.04 -1.26 -4.97 135.00 132.68 2ii8 s PRO 59 Ca 0.00 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 2ii8 s PRO 59 Cb 0.00 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2ii8 s PRO 59 CO 0.00 0.14 0.85 0.71 0.04 0.00 0.00 177.00 178.73 2ii8 s TYR 60 N -0.38 3.09 -0.02 0.56 1.51 0.31 -4.47 117.35 117.96 2ii8 s TYR 60 Ca 0.48 0.64 -0.09 0.00 -1.01 0.00 0.00 57.07 57.09 2ii8 s TYR 60 Cb -0.29 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 37.99 2ii8 s TYR 60 CO 0.35 -0.78 0.28 1.03 -1.11 0.00 0.00 175.55 175.31 2ii8 s ARG 61 N 3.28 3.63 0.15 -0.62 0.52 -1.26 -0.78 118.95 123.87 2ii8 s ARG 61 Ca 0.34 0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2ii8 s ARG 61 Cb -0.13 -3.13 0.07 0.00 0.52 0.00 0.00 34.95 32.29 2ii8 s ARG 61 CO 0.18 0.68 0.65 -0.48 0.02 0.00 0.00 175.30 176.34 2ii8 s LEU 62 N -1.47 -0.52 -0.10 2.53 0.05 -0.79 -5.03 118.68 113.35 2ii8 s LEU 62 Ca 0.24 -0.06 0.02 0.00 0.05 0.00 0.00 54.13 54.39 2ii8 s LEU 62 Cb -0.14 2.54 -0.01 0.00 -2.05 0.00 0.00 46.19 46.53 2ii8 s LEU 62 CO 0.13 -0.96 -0.17 -0.89 -0.55 0.00 0.00 176.35 173.91 2ii8 s THR 63 N -3.69 2.72 -0.32 5.48 2.01 -1.26 -0.42 115.64 120.15 2ii8 s THR 63 Ca 0.02 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2ii8 s THR 63 Cb -0.01 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.44 2ii8 s THR 63 CO -0.11 0.55 0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 2ii8 s VAL 64 N 0.12 3.60 0.86 3.82 1.01 -0.03 -4.96 120.40 124.82 2ii8 s VAL 64 Ca -0.08 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 2ii8 s VAL 64 Cb -0.15 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.32 2ii8 s VAL 64 CO 0.05 -0.13 1.15 -2.84 0.00 0.00 0.00 175.10 173.33 2ii8 s PRO 65 N 1.38 1.40 0.08 2.72 0.02 -1.26 0.00 135.00 139.34 2ii8 s PRO 65 Ca -0.02 1.52 -0.36 0.00 0.02 0.00 0.00 61.00 62.16 2ii8 s PRO 65 Cb -0.19 -1.77 -0.18 0.00 0.02 0.00 0.00 34.50 32.38 2ii8 s PRO 65 CO 0.02 -2.35 1.07 0.00 -0.33 0.00 0.00 177.00 175.41 2ii8 n ALA 66 N -3.89 -2.38 -3.58 -1.55 0.00 -1.26 -2.23 120.51 105.62 2ii8 n ALA 66 Ca 0.12 0.53 -0.22 0.00 0.00 0.00 0.00 53.44 53.86 2ii8 n ALA 66 Cb 0.52 -1.86 0.07 0.00 0.00 0.00 0.00 19.45 18.18 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 1.69 -7.16 -3.97 0.00 1.74 -0.08 -4.97 116.66 103.91 2ii8 n ARG 67 Ca 0.18 0.80 -0.09 0.00 -0.77 0.00 0.00 57.85 57.98 2ii8 n ARG 67 Cb 0.16 -5.80 -0.08 0.00 -1.02 0.00 0.00 32.46 25.72 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 -6.04 0.88 0.24 5.56 1.81 -0.69 -4.99 118.95 115.72 2ii8 s ARG 68 Ca 0.38 -1.13 0.10 0.00 -1.72 0.00 0.00 55.73 53.35 2ii8 s ARG 68 Cb -0.17 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 2ii8 s ARG 68 CO 0.74 -0.27 -0.06 -0.08 -0.68 0.00 0.00 175.30 174.95 2ii8 s THR 69 N -3.93 3.25 -0.10 0.02 -1.32 -1.26 -0.95 115.64 111.35 2ii8 s THR 69 Ca 0.11 -1.87 -0.06 0.00 -1.21 0.00 0.00 61.69 58.66 2ii8 s THR 69 Cb 0.05 -2.69 0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2ii8 s THR 69 CO -0.06 -0.28 0.24 -0.75 -2.21 0.00 0.00 174.62 171.55 2ii8 s LYS 70 N -3.35 0.21 -0.27 7.08 2.20 0.38 -4.98 119.74 121.01 2ii8 s LYS 70 Ca 0.29 0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 56.29 2ii8 s LYS 70 Cb -0.07 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 2ii8 s LYS 70 CO 0.18 -0.14 0.14 -1.01 -0.36 0.00 0.00 175.35 174.16 2ii8 s HIS 71 N 1.06 3.17 -0.26 4.03 3.76 -1.26 -0.69 115.29 125.09 2ii8 s HIS 71 Ca -0.08 -0.08 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2ii8 s HIS 71 Cb -0.09 -2.33 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 2ii8 s HIS 71 CO -0.07 -0.23 0.05 0.08 -0.85 0.00 0.00 174.74 173.72 2ii8 s VAL 72 N 1.70 3.97 -0.05 -0.90 1.01 0.17 -4.94 120.40 121.35 2ii8 s VAL 72 Ca 0.07 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2ii8 s VAL 72 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2ii8 s VAL 72 CO 0.08 0.24 0.88 -0.13 0.00 0.00 0.00 175.10 176.17 2ii8 s ARG 73 N 1.54 4.47 0.35 2.72 0.52 -1.26 -0.28 118.95 127.01 2ii8 s ARG 73 Ca 0.05 1.20 0.06 0.00 -0.52 0.00 0.00 55.73 56.51 2ii8 s ARG 73 Cb -0.16 -3.48 0.72 0.00 0.52 0.00 0.00 34.95 32.55 2ii8 s ARG 73 CO 0.02 -0.08 1.93 0.74 0.02 0.00 0.00 175.30 177.93 2ii8 h PHE 74 N 6.88 0.83 -0.36 -0.53 0.04 -1.59 -1.78 116.94 120.45 2ii8 h PHE 74 Ca -0.38 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.49 2ii8 h PHE 74 Cb 1.19 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 2ii8 h PHE 74 CO 0.68 0.41 0.25 -0.97 -0.60 0.00 0.00 178.31 178.08 2ii8 h ASN 75 N 0.80 0.08 0.65 2.17 -0.00 -1.93 -2.14 115.58 115.20 2ii8 h ASN 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 2ii8 h ASN 75 Cb 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.66 2ii8 h ASN 75 CO -0.13 0.05 -0.12 0.47 -0.00 0.00 0.00 177.43 177.69 2ii8 n ASP 76 N -4.45 0.23 -4.72 1.15 8.00 -0.67 -4.83 116.55 111.25 2ii8 n ASP 76 Ca 0.05 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 2ii8 n ASP 76 Cb 0.37 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.77 4.39 0.00 0.64 1.02 -0.81 -4.89 118.68 116.26 2ii8 s LEU 77 Ca 0.20 2.18 0.00 0.00 0.02 0.00 0.00 54.13 56.53 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 0.53 -0.49 0.00 -0.46 0.02 0.00 0.00 176.35 175.95 2ii8 n ASN 78 N 3.46 0.00 -4.20 2.29 6.94 -1.26 -4.05 115.26 118.45 2ii8 n ASN 78 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.29 2ii8 n ASN 78 Cb 0.45 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.73 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ii8 s ASP 79 N 0.00 4.52 0.38 0.53 -1.08 -1.26 -0.83 116.67 118.93 2ii8 s ASP 79 Ca 0.00 -0.98 0.25 0.00 -0.52 0.00 0.00 52.55 51.30 2ii8 s ASP 79 Cb 0.00 -1.69 0.61 0.00 -1.46 0.00 0.00 42.92 40.38 2ii8 s ASP 79 CO 0.00 -0.17 1.70 1.55 0.52 0.00 0.00 175.17 178.77 2ii8 h PRO 80 N 8.02 0.00 -1.86 4.34 0.13 -1.93 -3.39 132.00 137.31 2ii8 h PRO 80 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2ii8 h PRO 80 Cb 1.09 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.02 2ii8 h PRO 80 CO 0.56 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.64 2ii8 s ALA 81 N -3.24 -1.82 0.67 -0.56 0.00 -0.01 -5.13 121.76 111.66 2ii8 s ALA 81 Ca 0.07 1.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 2ii8 s ALA 81 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2ii8 s ALA 81 CO 0.62 -0.35 1.21 -2.14 0.00 0.00 0.00 175.76 175.10 2ii8 s PRO 82 N -1.11 2.55 -0.12 0.00 0.02 -1.22 -4.13 135.00 130.99 2ii8 s PRO 82 Ca -0.08 1.78 -0.28 0.00 0.02 0.00 0.00 61.00 62.43 2ii8 s PRO 82 Cb -0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 2ii8 s PRO 82 CO 0.07 -1.53 0.96 0.42 -0.33 0.00 0.00 177.00 176.59 2ii8 s ILE 83 N -1.82 4.81 0.40 2.83 1.01 -1.26 -5.00 121.20 122.17 2ii8 s ILE 83 Ca 0.75 1.94 -0.26 0.00 0.00 0.00 0.00 60.65 63.08 2ii8 s ILE 83 Cb -0.29 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 2ii8 s ILE 83 CO 0.40 0.02 1.32 -0.81 0.00 0.00 0.00 174.94 175.87 2ii8 n PRO 84 N 4.99 2.10 -1.82 2.79 -0.04 -1.26 -5.00 135.00 136.77 2ii8 n PRO 84 Ca 0.07 0.74 -0.29 0.00 -0.04 0.00 0.00 63.50 63.99 2ii8 n PRO 84 Cb 0.49 -2.43 0.12 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.16 2.59 -1.13 0.54 3.76 -1.26 -4.09 115.29 114.55 2ii8 s HIS 85 Ca 0.59 0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 56.13 2ii8 s HIS 85 Cb -0.51 -3.58 0.05 0.00 1.11 0.00 0.00 32.58 29.65 2ii8 s HIS 85 CO 0.60 -2.08 0.31 -3.47 -0.85 0.00 0.00 174.74 169.25 2ii8 n ASP 86 N -3.51 -3.56 -3.89 1.40 2.03 0.38 -4.94 116.55 104.46 2ii8 n ASP 86 Ca 0.09 -0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 2ii8 n ASP 86 Cb 0.60 -2.99 -0.17 0.00 -0.72 0.00 0.00 41.12 37.85 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 -2.77 0.61 0.15 5.18 2.01 -1.26 -5.02 115.64 114.54 2ii8 s THR 87 Ca 0.26 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 2ii8 s THR 87 Cb -0.14 -0.64 -0.08 0.00 0.01 0.00 0.00 72.50 71.65 2ii8 s THR 87 CO 0.32 0.25 1.31 -1.81 -0.69 0.00 0.00 174.62 174.00 2ii8 s ASP 88 N 1.07 6.92 0.29 3.53 1.01 -1.26 -4.22 116.67 124.01 2ii8 s ASP 88 Ca -0.08 2.31 -0.00 0.00 0.71 0.00 0.00 52.55 55.48 2ii8 s ASP 88 Cb -0.14 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2ii8 s ASP 88 CO -0.01 -0.54 0.32 0.72 0.21 0.00 0.00 175.17 175.87 2ii8 s PHE 89 N 0.52 1.22 0.11 4.23 -0.71 0.12 -4.43 117.98 119.05 2ii8 s PHE 89 Ca 0.59 -1.36 0.02 0.00 -1.04 0.00 0.00 56.93 55.13 2ii8 s PHE 89 Cb -0.35 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 2ii8 s PHE 89 CO 0.34 -0.90 -0.06 0.00 -1.34 0.00 0.00 175.22 173.27 2ii8 s ALA 90 N -3.60 1.03 0.13 1.99 0.00 -0.17 -1.14 121.76 119.99 2ii8 s ALA 90 Ca 0.35 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2ii8 s ALA 90 Cb 0.03 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2ii8 s ALA 90 CO 0.19 -0.24 -0.11 -1.54 0.00 0.00 0.00 175.76 174.06 2ii8 s SER 91 N -3.06 1.73 -0.07 0.00 1.04 -0.23 -0.19 113.70 112.93 2ii8 s SER 91 Ca 0.13 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.71 2ii8 s SER 91 Cb 0.05 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2ii8 s SER 91 CO -0.04 -0.27 -0.24 -0.69 0.98 0.00 0.00 173.24 172.98 2ii8 s VAL 92 N -2.78 2.03 -0.22 5.02 1.01 0.14 -0.60 120.40 125.00 2ii8 s VAL 92 Ca 0.11 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2ii8 s VAL 92 Cb -0.01 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.68 2ii8 s VAL 92 CO 0.01 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 2ii8 s ILE 93 N -0.04 2.22 0.18 2.22 1.09 0.94 -0.96 121.20 126.86 2ii8 s ILE 93 Ca -0.07 -1.23 0.09 0.00 -1.10 0.00 0.00 60.65 58.34 2ii8 s ILE 93 Cb -0.15 -2.11 -0.04 0.00 -1.06 0.00 0.00 42.46 39.10 2ii8 s ILE 93 CO 0.05 0.27 -0.12 -1.10 -0.10 0.00 0.00 174.94 173.93 2ii8 s GLN 94 N 1.22 1.96 0.06 2.79 -0.21 0.37 -0.87 119.66 124.99 2ii8 s GLN 94 Ca -0.01 -1.30 -0.12 0.00 0.02 0.00 0.00 55.36 53.95 2ii8 s GLN 94 Cb -0.16 -2.11 0.01 0.00 1.00 0.00 0.00 33.01 31.75 2ii8 s GLN 94 CO -0.09 0.43 0.27 0.45 -2.12 0.00 0.00 175.29 174.24 2ii8 s SER 95 N -2.75 -0.05 0.24 5.90 0.15 -0.27 -0.31 113.70 116.61 2ii8 s SER 95 Ca 0.24 -0.35 0.12 0.00 0.70 0.00 0.00 55.95 56.66 2ii8 s SER 95 Cb -0.09 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 2ii8 s SER 95 CO 0.14 -0.66 1.44 -0.55 1.20 0.00 0.00 173.24 174.81 2ii8 h ASN 96 N 3.04 0.00 -3.98 5.45 -1.07 -1.87 -3.44 115.58 113.71 2ii8 h ASN 96 Ca -0.33 0.00 -0.46 0.00 0.07 0.00 0.00 56.30 55.59 2ii8 h ASN 96 Cb 1.20 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.27 2ii8 h ASN 96 CO 0.49 0.67 -0.77 0.68 0.07 0.00 0.00 177.43 178.57 2ii8 s VAL 97 N -3.02 1.47 0.35 6.14 -7.23 -1.26 -5.03 120.40 111.82 2ii8 s VAL 97 Ca 0.02 -1.71 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2ii8 s VAL 97 Cb 0.09 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 35.35 2ii8 s VAL 97 CO 0.76 -0.34 1.47 -2.65 -0.31 0.00 0.00 175.10 174.04 2ii8 n PRO 98 N 0.59 2.58 -4.22 4.82 -0.02 -1.26 -4.58 135.00 132.91 2ii8 n PRO 98 Ca -0.16 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.10 2ii8 n PRO 98 Cb 0.56 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.89 0.28 -0.16 4.25 -4.36 -0.64 -4.71 121.20 114.97 2ii8 s ILE 99 Ca 0.56 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 2ii8 s ILE 99 Cb -0.50 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2ii8 s ILE 99 CO 0.61 -0.19 -0.16 -0.69 0.24 0.00 0.00 174.94 174.74 2ii8 s VAL 100 N -3.95 2.52 -0.06 8.37 1.01 -0.51 -0.91 120.40 126.87 2ii8 s VAL 100 Ca 0.33 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2ii8 s VAL 100 Cb 0.07 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2ii8 s VAL 100 CO 0.09 0.52 -0.22 -0.69 0.00 0.00 0.00 175.10 174.80 2ii8 s VAL 101 N 0.92 1.80 -0.01 2.92 1.01 -1.26 -0.13 120.40 125.65 2ii8 s VAL 101 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2ii8 s VAL 101 Cb -0.15 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 2ii8 s VAL 101 CO -0.02 0.51 -0.04 -1.58 0.00 0.00 0.00 175.10 173.96 2ii8 s GLN 102 N -0.02 0.39 -0.05 2.72 0.74 -0.45 -5.00 119.66 117.99 2ii8 s GLN 102 Ca -0.05 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.20 2ii8 s GLN 102 Cb -0.13 -0.38 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 2ii8 s GLN 102 CO 0.04 0.09 -0.01 -1.58 -0.55 0.00 0.00 175.29 173.27 2ii8 s HIS 103 N -0.04 3.08 0.00 1.67 5.65 -1.26 -0.48 115.29 123.90 2ii8 s HIS 103 Ca 0.01 0.11 0.00 0.00 0.25 0.00 0.00 55.06 55.43 2ii8 s HIS 103 Cb -0.03 -1.73 0.00 0.00 -1.18 0.00 0.00 32.58 29.65 2ii8 s HIS 103 CO -0.00 0.44 0.00 2.41 -0.65 0.00 0.00 174.74 176.93