#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nci h SER -1 N 0.00 0.00 0.00 1.61 0.02 -2.08 -3.40 113.55 109.69 1nci h SER -1 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nci h SER -1 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nci h SER -1 CO 0.00 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.02 1nci n ASP 1 N -3.21 0.00 -4.19 3.07 2.03 -1.26 -5.12 116.55 107.87 1nci n ASP 1 Ca 0.02 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.16 1nci n ASP 1 Cb 0.48 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.77 1nci n ASP 1 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1nci s TRP 2 N 0.00 1.23 0.08 -0.67 0.52 -1.26 -5.14 118.94 113.70 1nci s TRP 2 Ca 0.00 -0.55 -0.09 0.00 0.02 0.00 0.00 56.10 55.49 1nci s TRP 2 Cb 0.00 -0.67 -0.06 0.00 -1.15 0.00 0.00 33.47 31.60 1nci s TRP 2 CO 0.00 0.07 0.39 0.14 0.02 0.00 0.00 176.95 177.57 1nci s VAL 3 N -1.89 5.12 0.02 4.03 -7.23 -1.26 -4.98 120.40 114.21 1nci s VAL 3 Ca 0.04 0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.28 1nci s VAL 3 Cb -0.06 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1nci s VAL 3 CO 0.02 0.26 1.11 -0.63 -0.31 0.00 0.00 175.10 175.54 1nci s ILE 4 N -1.43 4.41 0.36 -0.62 -1.09 -1.26 -4.99 121.20 116.58 1nci s ILE 4 Ca 0.34 1.73 -0.28 0.00 -2.23 0.00 0.00 60.65 60.21 1nci s ILE 4 Cb -0.14 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.52 1nci s ILE 4 CO 0.19 0.11 1.36 -2.65 -1.23 0.00 0.00 174.94 172.72 1nci n PRO 5 N 4.11 2.31 -1.70 2.79 -0.02 -1.26 -4.72 135.00 136.52 1nci n PRO 5 Ca 0.08 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 1nci n PRO 5 Cb 0.48 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1nci n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nci n PRO 6 N 0.48 1.49 -3.79 0.52 -0.04 -1.26 -4.80 135.00 127.60 1nci n PRO 6 Ca 0.04 0.55 -0.36 0.00 -0.04 0.00 0.00 63.50 63.69 1nci n PRO 6 Cb 0.37 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 1nci n PRO 6 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nci s ILE 7 N -1.33 5.45 -0.21 0.52 1.09 0.36 -4.99 121.20 122.09 1nci s ILE 7 Ca 0.71 0.22 -0.07 0.00 -1.10 0.00 0.00 60.65 60.40 1nci s ILE 7 Cb -0.44 -3.44 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 1nci s ILE 7 CO 0.50 0.52 0.05 0.20 -0.10 0.00 0.00 174.94 176.12 1nci s ASN 8 N -0.29 5.26 -0.15 3.58 0.01 -1.26 -0.18 114.94 121.91 1nci s ASN 8 Ca 0.12 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.19 1nci s ASN 8 Cb -0.12 -1.91 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1nci s ASN 8 CO 0.01 0.08 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.26 1nci s LEU 9 N 0.95 2.02 0.37 0.60 2.96 0.56 -4.96 118.68 121.18 1nci s LEU 9 Ca 0.03 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.08 1nci s LEU 9 Cb -0.14 -1.38 -0.10 0.00 0.50 0.00 0.00 46.19 45.07 1nci s LEU 9 CO 0.03 0.04 1.38 -2.16 -1.32 0.00 0.00 176.35 174.31 1nci s PRO 10 N 1.04 4.13 0.41 0.98 0.04 -1.26 -0.81 135.00 139.53 1nci s PRO 10 Ca -0.02 2.34 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1nci s PRO 10 Cb -0.14 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 1nci s PRO 10 CO -0.06 -0.42 1.31 -2.00 0.04 0.00 0.00 177.00 175.87 1nci s GLU 11 N -2.05 3.97 -1.39 4.56 2.12 0.81 -3.62 118.70 123.10 1nci s GLU 11 Ca 0.53 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 57.99 1nci s GLU 11 Cb -0.42 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1nci s GLU 11 CO 0.56 -0.50 0.41 0.09 -0.54 0.00 0.00 175.26 175.28 1nci n ASN 12 N 0.13 -0.84 -4.75 -1.70 3.02 0.80 -4.91 115.26 107.02 1nci n ASN 12 Ca 0.04 -1.06 -0.34 0.00 -0.03 0.00 0.00 54.58 53.19 1nci n ASN 12 Cb 0.43 -2.83 0.06 0.00 -0.61 0.00 0.00 39.78 36.84 1nci n ASN 12 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nci s SER 13 N -4.24 4.74 0.00 6.41 0.15 -1.24 -4.91 113.70 114.61 1nci s SER 13 Ca 0.07 2.23 0.26 0.00 0.70 0.00 0.00 55.95 59.22 1nci s SER 13 Cb -0.03 -2.58 0.75 0.00 -1.71 0.00 0.00 66.02 62.45 1nci s SER 13 CO 0.90 -1.89 1.56 -1.14 1.20 0.00 0.00 173.24 173.88 1nci n ARG 14 N -2.36 1.27 0.00 5.44 0.63 -1.26 -4.51 116.66 115.87 1nci n ARG 14 Ca 0.12 -0.81 0.00 0.00 -0.92 0.00 0.00 57.85 56.24 1nci n ARG 14 Cb 0.51 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1nci n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nci n GLY 15 N 1.29 2.56 3.49 5.14 0.00 -1.26 -4.62 105.19 111.79 1nci n GLY 15 Ca 0.14 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1nci n GLY 15 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nci s PRO 16 N 0.00 -0.88 0.08 1.61 0.02 -1.26 -5.08 135.00 129.49 1nci s PRO 16 Ca 0.00 0.89 0.07 0.00 0.02 0.00 0.00 61.00 61.98 1nci s PRO 16 Cb 0.00 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.93 1nci s PRO 16 CO 0.00 -3.72 -0.13 -0.06 -0.33 0.00 0.00 177.00 172.76 1nci s PHE 17 N -2.46 2.68 0.51 6.54 0.08 -1.26 -3.79 117.98 120.27 1nci s PHE 17 Ca 0.68 -0.18 -0.21 0.00 0.12 0.00 0.00 56.93 57.34 1nci s PHE 17 Cb -0.25 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1nci s PHE 17 CO 0.64 0.37 1.14 -1.25 -0.10 0.00 0.00 175.22 176.03 1nci s PRO 18 N -1.93 3.54 -0.22 0.24 0.04 -1.26 -5.08 135.00 130.33 1nci s PRO 18 Ca 0.19 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1nci s PRO 18 Cb -0.11 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1nci s PRO 18 CO 0.10 -0.70 -0.09 -1.14 0.04 0.00 0.00 177.00 175.21 1nci s GLN 19 N -3.04 3.12 0.18 4.56 0.74 0.30 -4.93 119.66 120.59 1nci s GLN 19 Ca 0.69 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 1nci s GLN 19 Cb -0.25 -2.89 -0.08 0.00 1.10 0.00 0.00 33.01 30.89 1nci s GLN 19 CO 0.30 -0.26 1.29 -2.00 -0.55 0.00 0.00 175.29 174.07 1nci s GLU 20 N 1.39 4.40 -0.14 1.67 2.12 -1.26 -0.71 118.70 126.16 1nci s GLU 20 Ca 0.04 2.01 -0.09 0.00 0.36 0.00 0.00 54.97 57.29 1nci s GLU 20 Cb -0.15 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 1nci s GLU 20 CO -0.06 -0.25 -0.21 1.28 -0.54 0.00 0.00 175.26 175.48 1nci n LEU 21 N 2.85 1.27 -3.46 2.70 4.77 0.25 -4.94 117.00 120.45 1nci n LEU 21 Ca 0.07 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1nci n LEU 21 Cb 0.43 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1nci n LEU 21 CO 0.57 0.17 0.50 0.54 -1.33 0.00 0.00 177.39 177.84 1nci s VAL 22 N -2.36 0.00 -0.22 4.08 0.11 -1.18 -5.03 120.40 115.80 1nci s VAL 22 Ca -0.22 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.75 1nci s VAL 22 Cb 0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1nci s VAL 22 CO 0.28 0.00 0.09 -0.60 -3.33 0.00 0.00 175.10 171.55 1nci s ARG 23 N -3.26 3.88 -0.30 1.54 3.52 -1.26 -0.21 118.95 122.85 1nci s ARG 23 Ca 0.01 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 1nci s ARG 23 Cb -0.01 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1nci s ARG 23 CO -0.09 0.04 -0.02 0.42 -0.81 0.00 0.00 175.30 174.83 1nci s ILE 24 N 1.04 2.44 0.23 4.11 1.09 0.33 -4.95 121.20 125.49 1nci s ILE 24 Ca 0.05 -1.82 -0.12 0.00 -1.10 0.00 0.00 60.65 57.66 1nci s ILE 24 Cb -0.14 -2.55 -0.01 0.00 -1.06 0.00 0.00 42.46 38.70 1nci s ILE 24 CO 0.03 -0.26 0.43 0.00 -0.10 0.00 0.00 174.94 175.05 1nci s ARG 25 N 1.08 1.46 -0.03 2.79 1.04 -1.26 -4.43 118.95 119.58 1nci s ARG 25 Ca -0.01 -1.24 -0.00 0.00 -1.04 0.00 0.00 55.73 53.43 1nci s ARG 25 Cb -0.20 0.45 -0.04 0.00 -2.04 0.00 0.00 34.95 33.12 1nci s ARG 25 CO -0.05 -0.59 0.03 -1.54 -0.04 0.00 0.00 175.30 173.11 1nci s SER 26 N -3.01 5.37 0.26 -2.89 1.04 -1.26 -4.99 113.70 108.22 1nci s SER 26 Ca 0.22 0.10 0.22 0.00 0.48 0.00 0.00 55.95 56.98 1nci s SER 26 Cb 0.00 -1.50 1.00 0.00 0.10 0.00 0.00 66.02 65.63 1nci s SER 26 CO 0.07 0.31 1.68 0.61 0.98 0.00 0.00 173.24 176.89 1nci n GLY 27 N 1.59 -1.14 0.15 7.32 0.00 -1.26 -1.65 105.19 110.19 1nci n GLY 27 Ca -0.16 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1nci n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nci n ARG 28 N -2.21 0.18 0.00 1.61 1.74 -1.26 -2.66 116.66 114.07 1nci n ARG 28 Ca 0.01 0.50 0.12 0.00 -0.77 0.00 0.00 57.85 57.72 1nci n ARG 28 Cb 0.17 -1.91 0.73 0.00 -1.02 0.00 0.00 32.46 30.43 1nci n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1nci n ASP 29 N -2.27 0.00 0.01 0.55 5.68 -0.66 -1.27 116.55 118.59 1nci n ASP 29 Ca 0.01 -0.77 0.11 0.00 -0.50 0.00 0.00 54.79 53.64 1nci n ASP 29 Cb 0.17 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.21 1nci n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1nci n LYS 30 N -1.00 0.08 -0.05 0.11 4.76 -1.09 -4.43 118.16 116.54 1nci n LYS 30 Ca 0.18 -0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.56 1nci n LYS 30 Cb 0.08 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 1nci n LYS 30 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nci n ASN 31 N -1.63 3.01 -4.25 4.39 3.02 -0.39 -5.06 115.26 114.35 1nci n ASN 31 Ca 0.04 -0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 1nci n ASN 31 Cb 0.36 0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 1nci n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nci s LEU 32 N -5.26 2.46 -0.28 3.41 1.02 -0.49 -5.10 118.68 114.44 1nci s LEU 32 Ca -0.11 -0.89 -0.29 0.00 0.02 0.00 0.00 54.13 52.86 1nci s LEU 32 Cb 0.03 -0.49 -0.01 0.00 0.02 0.00 0.00 46.19 45.75 1nci s LEU 32 CO 0.30 -0.21 1.37 -0.44 0.02 0.00 0.00 176.35 177.39 1nci s SER 33 N -2.76 6.62 0.13 2.29 0.01 -1.26 -4.31 113.70 114.42 1nci s SER 33 Ca 0.13 1.31 0.10 0.00 1.31 0.00 0.00 55.95 58.79 1nci s SER 33 Cb -0.02 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1nci s SER 33 CO 0.03 -1.11 -0.21 -0.76 0.41 0.00 0.00 173.24 171.60 1nci s LEU 34 N 4.52 2.58 -0.06 2.44 1.43 -1.26 -4.02 118.68 124.30 1nci s LEU 34 Ca 0.59 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1nci s LEU 34 Cb -0.19 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1nci s LEU 34 CO 0.24 0.17 -0.15 -0.60 0.23 0.00 0.00 176.35 176.24 1nci s ARG 35 N -2.21 1.81 -0.00 1.70 3.00 -0.67 -4.78 118.95 117.80 1nci s ARG 35 Ca 0.17 -0.52 -0.05 0.00 -1.00 0.00 0.00 55.73 54.34 1nci s ARG 35 Cb -0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 34.95 33.30 1nci s ARG 35 CO 0.09 0.13 0.22 0.71 0.00 0.00 0.00 175.30 176.45 1nci s TYR 36 N 0.36 3.56 0.12 5.12 2.02 -0.12 -1.76 117.35 126.65 1nci s TYR 36 Ca -0.10 0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 56.97 1nci s TYR 36 Cb -0.14 -1.91 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1nci s TYR 36 CO 0.03 0.63 0.24 -1.54 -1.57 0.00 0.00 175.55 173.34 1nci s SER 37 N -1.82 0.07 -0.01 2.29 1.04 -0.92 -4.15 113.70 110.21 1nci s SER 37 Ca 0.27 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1nci s SER 37 Cb -0.13 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1nci s SER 37 CO 0.17 -0.80 -0.11 0.68 0.98 0.00 0.00 173.24 174.17 1nci s VAL 38 N -3.90 0.86 0.19 5.02 -7.23 -1.26 -1.00 120.40 113.08 1nci s VAL 38 Ca 0.10 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.87 1nci s VAL 38 Cb 0.04 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 1nci s VAL 38 CO -0.07 0.25 -0.11 0.42 -0.31 0.00 0.00 175.10 175.28 1nci s THR 39 N -0.19 1.41 0.00 5.32 -4.23 -0.37 -4.40 115.64 113.19 1nci s THR 39 Ca 0.03 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1nci s THR 39 Cb -0.05 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1nci s THR 39 CO -0.00 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 1nci n GLY 40 N -0.31 2.54 3.71 3.99 0.00 -1.26 -1.43 105.19 112.42 1nci n GLY 40 Ca -0.09 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 1nci n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nci s PRO 41 N -1.93 4.14 0.00 1.61 0.02 -1.26 -1.49 135.00 136.10 1nci s PRO 41 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1nci s PRO 41 Cb 0.00 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1nci s PRO 41 CO 0.00 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 1nci n GLY 42 N 4.04 1.86 0.00 0.52 0.00 -0.37 -4.55 105.19 106.70 1nci n GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1nci n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nci n ALA 43 N -0.16 0.28 0.74 4.61 0.00 -0.55 -0.30 120.51 125.14 1nci n ALA 43 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1nci n ALA 43 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1nci n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nci n ASP 44 N 0.00 2.79 -4.42 0.00 5.75 -1.04 -1.58 116.55 118.04 1nci n ASP 44 Ca 0.00 -1.86 -0.29 0.00 -0.01 0.00 0.00 54.79 52.62 1nci n ASP 44 Cb 0.00 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 1nci n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nci s GLN 45 N -1.63 1.58 0.19 0.11 -0.21 -0.75 -4.90 119.66 114.05 1nci s GLN 45 Ca 0.25 -1.26 -0.32 0.00 0.02 0.00 0.00 55.36 54.05 1nci s GLN 45 Cb 0.17 -1.99 -0.15 0.00 1.00 0.00 0.00 33.01 32.04 1nci s GLN 45 CO 0.26 0.47 1.14 -0.35 -2.12 0.00 0.00 175.29 174.69 1nci n PRO 46 N 0.96 1.19 -2.80 2.91 -0.04 -1.26 -1.24 135.00 134.72 1nci n PRO 46 Ca -0.17 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1nci n PRO 46 Cb 0.53 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1nci n PRO 46 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nci s PRO 47 N -0.51 4.34 0.53 0.54 0.04 -1.26 -3.66 135.00 135.02 1nci s PRO 47 Ca 0.71 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 1nci s PRO 47 Cb -0.83 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 1nci s PRO 47 CO 0.53 -0.34 1.08 0.95 0.04 0.00 0.00 177.00 179.26 1nci s THR 48 N 2.16 3.54 -0.97 1.26 -4.23 -1.21 -2.32 115.64 113.87 1nci s THR 48 Ca 0.43 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1nci s THR 48 Cb -0.17 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1nci s THR 48 CO 0.14 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1nci n GLY 49 N -0.21 1.08 0.13 3.99 0.00 -0.62 -4.89 105.19 104.67 1nci n GLY 49 Ca 0.10 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1nci n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nci h ILE 50 N 0.00 1.21 -4.29 -0.61 1.08 -0.82 -3.42 117.51 110.66 1nci h ILE 50 Ca -0.19 -2.74 -0.69 0.00 -0.39 0.00 0.00 64.86 60.85 1nci h ILE 50 Cb 0.64 2.91 -0.31 0.00 -3.07 0.00 0.00 36.82 36.99 1nci h ILE 50 CO 0.28 0.84 -0.89 -0.36 -0.69 0.00 0.00 178.15 177.33 1nci s PHE 51 N -2.61 2.38 0.13 1.37 0.08 -0.24 -0.96 117.98 118.13 1nci s PHE 51 Ca -0.10 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.40 1nci s PHE 51 Cb 0.05 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1nci s PHE 51 CO 0.90 -0.14 -0.11 0.96 -0.10 0.00 0.00 175.22 176.73 1nci s ILE 52 N -0.37 1.14 -0.03 0.64 -4.36 -0.68 -4.45 121.20 113.10 1nci s ILE 52 Ca 0.03 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1nci s ILE 52 Cb -0.12 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.96 1nci s ILE 52 CO 0.02 -0.61 -0.12 -0.51 0.24 0.00 0.00 174.94 173.95 1nci s ILE 53 N -2.79 1.00 -0.05 8.37 2.07 -1.26 -1.18 121.20 127.37 1nci s ILE 53 Ca 0.12 -0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 58.56 1nci s ILE 53 Cb -0.01 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.66 1nci s ILE 53 CO 0.01 0.30 1.53 0.21 -1.91 0.00 0.00 174.94 175.08 1nci s ASN 54 N 0.02 6.75 0.64 4.50 2.47 0.09 -4.90 114.94 124.50 1nci s ASN 54 Ca -0.01 2.14 0.42 0.00 0.42 0.00 0.00 52.86 55.84 1nci s ASN 54 Cb -0.08 -2.54 2.28 0.00 -1.45 0.00 0.00 41.25 39.46 1nci s ASN 54 CO 0.01 -0.85 2.30 1.55 -3.72 0.00 0.00 177.10 176.39 1nci h PRO 55 N 8.80 0.00 0.00 0.43 0.13 -1.92 -0.36 132.00 139.09 1nci h PRO 55 Ca -0.37 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.36 1nci h PRO 55 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1nci h PRO 55 CO 0.94 0.00 -2.37 -0.89 -0.23 0.00 0.00 178.00 175.46 1nci n ILE 56 N -3.02 1.35 0.08 -3.56 5.41 -1.26 -0.95 119.36 117.41 1nci n ILE 56 Ca -0.03 -0.39 0.03 0.00 1.00 0.00 0.00 62.75 63.37 1nci n ILE 56 Cb 0.08 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 37.27 1nci n ILE 56 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1nci h SER 57 N -0.67 0.00 0.00 4.38 4.64 -1.94 -3.46 113.55 116.50 1nci h SER 57 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1nci h SER 57 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1nci h SER 57 CO -0.31 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1nci n GLY 58 N 1.31 0.75 3.69 -0.77 0.00 -0.15 -4.68 105.19 105.34 1nci n GLY 58 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1nci n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nci s GLN 59 N -0.17 4.26 -0.16 1.61 -1.52 -1.26 -0.51 119.66 121.90 1nci s GLN 59 Ca 0.00 2.07 -0.10 0.00 -1.95 0.00 0.00 55.36 55.38 1nci s GLN 59 Cb 0.00 -3.58 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 1nci s GLN 59 CO 0.00 -0.62 0.17 -1.17 -0.25 0.00 0.00 175.29 173.42 1nci s LEU 60 N 2.49 4.27 0.10 2.90 2.96 0.71 -0.73 118.68 131.38 1nci s LEU 60 Ca 0.67 0.38 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1nci s LEU 60 Cb -0.34 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1nci s LEU 60 CO 0.28 0.23 -0.09 -0.44 -1.32 0.00 0.00 176.35 175.01 1nci s SER 61 N -0.05 1.43 -0.04 3.68 0.01 -0.32 -0.58 113.70 117.82 1nci s SER 61 Ca 0.12 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 1nci s SER 61 Cb -0.12 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1nci s SER 61 CO 0.01 -0.32 0.08 -0.69 0.41 0.00 0.00 173.24 172.74 1nci s VAL 62 N -2.81 4.84 -0.82 3.43 1.01 0.11 -1.68 120.40 124.48 1nci s VAL 62 Ca 0.08 -0.24 0.19 0.00 0.00 0.00 0.00 61.98 62.01 1nci s VAL 62 Cb -0.00 -3.16 -0.22 0.00 0.00 0.00 0.00 36.38 32.99 1nci s VAL 62 CO -0.01 0.45 0.78 0.35 0.00 0.00 0.00 175.10 176.67 1nci n THR 63 N 1.51 0.00 -3.68 3.92 -2.24 -0.14 -0.54 114.28 113.11 1nci n THR 63 Ca -0.15 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 1nci n THR 63 Cb 0.53 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 1nci n THR 63 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1nci s LYS 64 N -2.89 1.54 0.59 -0.78 -2.85 -1.26 -4.72 119.74 109.37 1nci s LYS 64 Ca 0.06 -0.76 -0.19 0.00 -1.00 0.00 0.00 55.97 54.08 1nci s LYS 64 Cb 0.14 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.46 1nci s LYS 64 CO 0.80 -0.69 1.18 -1.25 0.10 0.00 0.00 175.35 175.49 1nci s PRO 65 N -3.79 3.02 -0.05 1.78 0.04 -1.26 -4.93 135.00 129.80 1nci s PRO 65 Ca 0.07 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1nci s PRO 65 Cb -0.04 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1nci s PRO 65 CO -0.01 -1.15 -0.13 -0.51 0.04 0.00 0.00 177.00 175.24 1nci s LEU 66 N -4.10 1.74 -0.03 -3.56 1.43 -1.26 -4.90 118.68 108.00 1nci s LEU 66 Ca 0.76 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1nci s LEU 66 Cb -0.28 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1nci s LEU 66 CO 0.33 0.07 0.13 -0.62 0.23 0.00 0.00 176.35 176.49 1nci s ASP 67 N 0.43 6.08 0.17 2.29 2.15 -1.26 -0.14 116.67 126.39 1nci s ASP 67 Ca -0.10 0.29 0.26 0.00 0.43 0.00 0.00 52.55 53.43 1nci s ASP 67 Cb -0.14 -1.86 0.91 0.00 -0.30 0.00 0.00 42.92 41.53 1nci s ASP 67 CO 0.03 0.30 1.78 0.54 -0.17 0.00 0.00 175.17 177.65 1nci n ARG 68 N 1.27 0.20 -0.04 4.34 1.74 -1.26 -4.30 116.66 118.61 1nci n ARG 68 Ca -0.14 0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 1nci n ARG 68 Cb 0.53 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1nci n ARG 68 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nci h GLU 69 N 0.00 -0.11 0.03 5.56 3.07 -2.00 -3.32 114.58 117.80 1nci h GLU 69 Ca 0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1nci h GLU 69 Cb 0.62 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1nci h GLU 69 CO 0.00 -0.07 -0.01 1.37 -1.40 0.00 0.00 179.01 178.89 1nci h LEU 70 N -0.11 -0.03 -7.37 1.33 -0.00 -2.03 -3.46 115.31 103.63 1nci h LEU 70 Ca 0.12 -0.66 -0.36 0.00 -0.00 0.00 0.00 57.88 56.98 1nci h LEU 70 Cb 0.29 0.01 -0.38 0.00 -0.00 0.00 0.00 40.66 40.58 1nci h LEU 70 CO -0.27 0.75 -0.74 -0.63 -0.00 0.00 0.00 178.44 177.55 1nci s ILE 71 N -2.52 -0.07 -0.44 0.15 1.01 -1.25 -5.02 121.20 113.06 1nci s ILE 71 Ca -0.14 0.36 0.19 0.00 0.00 0.00 0.00 60.65 61.06 1nci s ILE 71 Cb -0.01 -0.15 -0.25 0.00 0.01 0.00 0.00 42.46 42.05 1nci s ILE 71 CO 0.53 0.16 0.61 0.00 0.00 0.00 0.00 174.94 176.24 1nci n ALA 72 N 5.01 3.56 -3.71 9.38 0.00 -1.25 -4.55 120.51 128.95 1nci n ALA 72 Ca -0.10 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 1nci n ALA 72 Cb 0.50 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.12 1nci n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nci s ARG 73 N -3.07 0.01 -0.09 0.00 3.52 -1.26 -0.60 118.95 117.47 1nci s ARG 73 Ca -0.00 0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.97 1nci s ARG 73 Cb 0.13 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 1nci s ARG 73 CO 0.79 -0.24 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.97 1nci s PHE 74 N 1.67 3.10 -0.36 5.12 0.40 -0.22 -4.96 117.98 122.73 1nci s PHE 74 Ca -0.03 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1nci s PHE 74 Cb -0.12 -1.78 0.10 0.00 0.51 0.00 0.00 43.02 41.72 1nci s PHE 74 CO -0.05 0.40 0.09 -1.01 0.70 0.00 0.00 175.22 175.35 1nci s HIS 75 N -0.78 3.68 0.47 0.36 3.76 -1.26 -1.27 115.29 120.26 1nci s HIS 75 Ca 0.12 -2.78 0.08 0.00 -0.15 0.00 0.00 55.06 52.33 1nci s HIS 75 Cb -0.11 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.65 1nci s HIS 75 CO 0.02 -0.95 0.52 -0.51 -0.85 0.00 0.00 174.74 172.98 1nci s LEU 76 N 0.99 3.28 -0.04 0.89 1.43 0.65 -4.30 118.68 121.58 1nci s LEU 76 Ca 0.09 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1nci s LEU 76 Cb -0.20 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.07 1nci s LEU 76 CO -0.07 -0.91 0.03 -0.60 0.23 0.00 0.00 176.35 175.03 1nci s ARG 77 N -4.33 0.20 0.02 1.70 3.52 -0.51 -0.81 118.95 118.74 1nci s ARG 77 Ca 0.51 0.21 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 1nci s ARG 77 Cb -0.05 -0.59 -0.05 0.00 -1.56 0.00 0.00 34.95 32.70 1nci s ARG 77 CO 0.31 -0.25 0.30 0.00 -0.81 0.00 0.00 175.30 174.84 1nci s ALA 78 N 1.67 3.82 0.11 6.12 0.00 -0.41 -1.23 121.76 131.85 1nci s ALA 78 Ca -0.01 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1nci s ALA 78 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1nci s ALA 78 CO -0.03 0.62 -0.19 -1.01 0.00 0.00 0.00 175.76 175.15 1nci s HIS 79 N -1.29 1.68 -0.11 0.00 0.09 -0.17 -2.07 115.29 113.41 1nci s HIS 79 Ca 0.28 -0.45 -0.01 0.00 -0.00 0.00 0.00 55.06 54.88 1nci s HIS 79 Cb -0.13 -0.90 0.03 0.00 -0.00 0.00 0.00 32.58 31.57 1nci s HIS 79 CO 0.16 0.20 -0.04 0.00 -0.00 0.00 0.00 174.74 175.06 1nci s ALA 80 N -1.44 1.12 0.05 -1.40 0.00 -1.26 -2.15 121.76 116.68 1nci s ALA 80 Ca 0.07 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.63 1nci s ALA 80 Cb -0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1nci s ALA 80 CO 0.04 -0.55 -0.19 0.08 0.00 0.00 0.00 175.76 175.14 1nci s VAL 81 N 1.80 1.53 0.53 0.00 1.01 -0.72 -0.98 120.40 123.57 1nci s VAL 81 Ca 0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 1nci s VAL 81 Cb -0.13 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.02 1nci s VAL 81 CO -0.07 0.13 0.68 -0.90 0.00 0.00 0.00 175.10 174.94 1nci n ASP 82 N 1.80 -0.19 0.25 3.32 5.68 0.24 -1.67 116.55 125.98 1nci n ASP 82 Ca -0.18 -1.19 0.08 0.00 -0.50 0.00 0.00 54.79 53.00 1nci n ASP 82 Cb 0.54 -0.53 0.61 0.00 -1.14 0.00 0.00 41.12 40.60 1nci n ASP 82 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1nci h ILE 83 N -1.52 1.00 -0.00 2.12 6.09 -1.90 -0.77 117.51 122.54 1nci h ILE 83 Ca -0.22 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1nci h ILE 83 Cb 0.63 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.04 1nci h ILE 83 CO 0.16 0.06 -0.23 0.59 -3.07 0.00 0.00 178.15 175.66 1nci n ASN 84 N -4.40 0.32 0.00 2.19 3.02 -1.26 -4.91 115.26 110.23 1nci n ASN 84 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1nci n ASN 84 Cb 0.15 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1nci n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nci n GLY 85 N 1.45 0.79 3.74 7.41 0.00 -0.29 -5.07 105.19 113.21 1nci n GLY 85 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1nci n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nci s ASN 86 N -2.41 7.31 0.31 1.61 0.01 -1.26 -4.69 114.94 115.82 1nci s ASN 86 Ca 0.00 2.09 -0.29 0.00 -0.71 0.00 0.00 52.86 53.95 1nci s ASN 86 Cb 0.00 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 1nci s ASN 86 CO 0.00 -0.17 1.19 0.00 -1.51 0.00 0.00 177.10 176.61 1nci s GLN 87 N -0.59 4.47 0.00 -0.60 -2.07 -1.26 -0.59 119.66 119.02 1nci s GLN 87 Ca 0.48 1.97 0.12 0.00 -1.82 0.00 0.00 55.36 56.11 1nci s GLN 87 Cb -0.29 -3.10 0.01 0.00 -1.09 0.00 0.00 33.01 28.55 1nci s GLN 87 CO 0.35 0.00 0.72 1.33 -1.32 0.00 0.00 175.29 176.38 1nci n VAL 88 N 0.93 0.00 -4.05 3.63 0.24 -0.16 -4.87 118.33 114.06 1nci n VAL 88 Ca -0.00 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1nci n VAL 88 Cb 0.44 1.15 -0.11 0.00 -1.47 0.00 0.00 33.84 33.85 1nci n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nci s GLU 89 N -1.42 0.49 0.35 7.34 0.41 -1.25 -5.08 118.70 119.54 1nci s GLU 89 Ca 0.10 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.55 1nci s GLU 89 Cb 0.09 -0.02 -0.09 0.00 -1.78 0.00 0.00 34.13 32.33 1nci s GLU 89 CO 0.27 -0.03 1.09 -0.80 -0.49 0.00 0.00 175.26 175.30 1nci s ASN 90 N -1.95 6.92 0.64 -0.19 0.02 -1.26 -4.69 114.94 114.43 1nci s ASN 90 Ca -0.07 2.18 -0.17 0.00 -1.02 0.00 0.00 52.86 53.78 1nci s ASN 90 Cb -0.05 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.56 1nci s ASN 90 CO -0.03 -0.38 0.73 -2.65 0.02 0.00 0.00 177.10 174.79 1nci n PRO 91 N 0.45 0.58 -5.20 -0.60 -0.02 -1.26 -4.94 135.00 124.02 1nci n PRO 91 Ca 0.02 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 1nci n PRO 91 Cb 0.47 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1nci n PRO 91 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1nci s ILE 92 N -1.71 1.95 0.25 4.25 2.07 -0.88 -4.96 121.20 122.17 1nci s ILE 92 Ca 0.71 -1.01 -0.30 0.00 -1.41 0.00 0.00 60.65 58.65 1nci s ILE 92 Cb -0.40 -1.65 -0.09 0.00 0.13 0.00 0.00 42.46 40.45 1nci s ILE 92 CO 0.52 0.54 1.09 -1.81 -1.91 0.00 0.00 174.94 173.37 1nci s ASP 93 N -0.16 7.29 -0.10 4.50 1.01 -1.26 -1.28 116.67 126.66 1nci s ASP 93 Ca -0.03 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.46 1nci s ASP 93 Cb -0.13 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.19 1nci s ASP 93 CO 0.03 -0.15 -0.18 -0.63 0.21 0.00 0.00 175.17 174.45 1nci s ILE 94 N -0.89 1.68 -0.15 0.77 1.01 0.01 -4.17 121.20 119.48 1nci s ILE 94 Ca 0.46 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1nci s ILE 94 Cb -0.31 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1nci s ILE 94 CO 0.39 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.97 1nci s VAL 95 N 0.73 2.85 -0.25 2.92 1.01 -1.26 -0.25 120.40 126.14 1nci s VAL 95 Ca -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1nci s VAL 95 Cb -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1nci s VAL 95 CO 0.02 0.51 -0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1nci s ILE 96 N 0.64 3.01 -0.19 2.22 -1.09 -0.39 -0.49 121.20 124.91 1nci s ILE 96 Ca -0.08 -0.98 -0.10 0.00 -2.23 0.00 0.00 60.65 57.26 1nci s ILE 96 Cb -0.16 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 1nci s ILE 96 CO 0.03 0.18 0.16 0.20 -1.23 0.00 0.00 174.94 174.27 1nci s ASN 97 N 1.35 6.26 -0.34 3.58 0.01 0.75 -1.06 114.94 125.48 1nci s ASN 97 Ca 0.00 0.29 -0.17 0.00 -0.71 0.00 0.00 52.86 52.27 1nci s ASN 97 Cb -0.17 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1nci s ASN 97 CO -0.04 0.18 0.45 -0.69 -1.51 0.00 0.00 177.10 175.50 1nci s VAL 98 N 0.29 5.08 0.06 1.60 1.01 0.23 -0.33 120.40 128.35 1nci s VAL 98 Ca 0.10 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1nci s VAL 98 Cb -0.11 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1nci s VAL 98 CO -0.01 -0.15 -0.02 0.27 0.00 0.00 0.00 175.10 175.19 1nci s ILE 99 N 2.23 3.92 -0.13 2.22 -4.36 0.01 -4.86 121.20 120.24 1nci s ILE 99 Ca 0.16 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1nci s ILE 99 Cb -0.16 -2.82 0.01 0.00 1.25 0.00 0.00 42.46 40.74 1nci s ILE 99 CO 0.12 0.20 0.53 -0.67 0.24 0.00 0.00 174.94 175.36