#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8m s SER 2 N 0.00 0.34 -0.13 1.61 1.04 -1.26 -5.14 113.70 110.15 2e8m s SER 2 Ca 0.00 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 2e8m s SER 2 Cb 0.00 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.22 2e8m s SER 2 CO 0.00 -0.14 0.20 -0.94 0.98 0.00 0.00 173.24 173.34 2e8m s SER 3 N -0.86 0.94 0.43 7.02 1.04 -1.26 -5.16 113.70 115.85 2e8m s SER 3 Ca -0.08 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.57 2e8m s SER 3 Cb -0.06 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2e8m s SER 3 CO -0.00 -0.27 0.37 0.61 0.98 0.00 0.00 173.24 174.93 2e8m n GLY 4 N 5.33 2.65 2.63 7.32 0.00 -1.26 -5.03 105.19 116.83 2e8m n GLY 4 Ca -0.05 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 2e8m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e8m n SER 5 N -1.99 7.49 0.00 1.61 3.41 -1.26 -4.16 113.62 118.72 2e8m n SER 5 Ca 0.01 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 2e8m n SER 5 Cb 0.48 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2e8m n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e8m n SER 6 N 0.41 0.00 -3.06 4.04 7.64 -1.26 -5.10 113.62 116.29 2e8m n SER 6 Ca 0.52 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.35 2e8m n SER 6 Cb 0.28 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2e8m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8m n GLY 7 N -0.66 -1.22 3.51 0.23 0.00 -1.26 -4.95 105.19 100.84 2e8m n GLY 7 Ca 0.00 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 2e8m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e8m s THR 8 N -2.82 5.07 0.46 2.61 2.01 -1.26 -4.93 115.64 116.78 2e8m s THR 8 Ca 0.09 -0.10 0.19 0.00 0.31 0.00 0.00 61.69 62.18 2e8m s THR 8 Cb -0.02 -4.00 0.23 0.00 0.01 0.00 0.00 72.50 68.73 2e8m s THR 8 CO 0.77 -0.33 2.05 -0.29 -0.69 0.00 0.00 174.62 176.13 2e8m h ILE 9 N 5.68 0.93 -2.47 1.82 2.10 -2.07 -3.43 117.51 120.07 2e8m h ILE 9 Ca -0.27 -0.48 -0.53 0.00 1.08 0.00 0.00 64.86 64.66 2e8m h ILE 9 Cb 1.12 1.27 0.03 0.00 -1.09 0.00 0.00 36.82 38.15 2e8m h ILE 9 CO 0.78 0.13 1.16 -0.83 -1.08 0.00 0.00 178.15 178.30 2e8m s GLY 10 N -4.17 1.40 0.15 8.18 0.00 -1.26 -4.96 107.32 106.65 2e8m s GLY 10 Ca -0.04 1.38 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 2e8m s GLY 10 CO 0.65 3.27 0.73 -1.60 0.00 0.00 0.00 173.10 176.15 2e8m s ARG 11 N 3.47 4.48 -0.30 2.90 3.52 -1.26 -5.03 118.95 126.72 2e8m s ARG 11 Ca 0.84 1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 57.38 2e8m s ARG 11 Cb -0.44 -3.24 0.18 0.00 -1.56 0.00 0.00 34.95 29.89 2e8m s ARG 11 CO 0.38 0.58 1.05 0.45 -0.81 0.00 0.00 175.30 176.95 2e8m s SER 12 N -1.16 -0.43 -0.42 -2.12 0.15 -1.26 -5.06 113.70 103.41 2e8m s SER 12 Ca 0.35 0.10 0.08 0.00 0.70 0.00 0.00 55.95 57.17 2e8m s SER 12 Cb -0.22 1.29 0.43 0.00 -1.71 0.00 0.00 66.02 65.81 2e8m s SER 12 CO 0.25 -0.08 1.07 0.00 1.20 0.00 0.00 173.24 175.68 2e8m n ALA 13 N 5.21 4.69 -2.52 5.45 0.00 -1.26 -4.80 120.51 127.27 2e8m n ALA 13 Ca 0.05 -4.07 -0.13 0.00 0.00 0.00 0.00 53.44 49.29 2e8m n ALA 13 Cb 0.57 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.41 2e8m n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e8m n ALA 14 N -0.38 3.87 -1.76 0.00 0.00 -1.26 -5.09 120.51 115.89 2e8m n ALA 14 Ca 0.32 -3.40 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 2e8m n ALA 14 Cb 0.69 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2e8m n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e8m n GLN 15 N -0.47 2.74 -4.56 0.00 10.64 -1.26 -5.01 117.38 119.46 2e8m n GLN 15 Ca 0.23 0.97 -0.28 0.00 -1.83 0.00 0.00 57.00 56.09 2e8m n GLN 15 Cb 0.82 -2.75 -0.11 0.00 -0.86 0.00 0.00 30.24 27.34 2e8m n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2e8m s LYS 16 N -0.85 1.99 0.41 2.61 0.00 -1.26 -5.16 119.74 117.48 2e8m s LYS 16 Ca 0.62 -2.07 0.04 0.00 0.00 0.00 0.00 55.97 54.55 2e8m s LYS 16 Cb -0.48 -1.68 -0.02 0.00 0.00 0.00 0.00 37.83 35.64 2e8m s LYS 16 CO 0.52 -0.06 0.14 -1.59 0.00 0.00 0.00 175.35 174.36 2e8m s LYS 17 N -3.73 1.93 -0.10 1.78 -2.85 -1.26 -5.11 119.74 110.40 2e8m s LYS 17 Ca 0.36 -2.18 -0.30 0.00 -1.00 0.00 0.00 55.97 52.85 2e8m s LYS 17 Cb 0.09 -0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 35.27 2e8m s LYS 17 CO 0.19 -0.50 1.37 -0.06 0.10 0.00 0.00 175.35 176.45 2e8m s PHE 18 N -3.21 2.68 0.43 1.78 0.40 -1.26 -4.79 117.98 114.00 2e8m s PHE 18 Ca 0.24 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 2e8m s PHE 18 Cb 0.02 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.94 2e8m s PHE 18 CO 0.15 -2.28 0.00 0.72 0.70 0.00 0.00 175.22 174.51 2e8m n HIS 19 N 6.37 -3.28 -4.37 0.36 8.25 -1.26 -4.97 115.22 116.32 2e8m n HIS 19 Ca 0.14 1.72 -0.23 0.00 -0.26 0.00 0.00 57.72 59.09 2e8m n HIS 19 Cb 0.44 -2.98 -0.11 0.00 1.12 0.00 0.00 29.99 28.46 2e8m n HIS 19 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2e8m s VAL 20 N -3.12 2.04 -0.45 1.59 -7.23 -1.26 -5.09 120.40 106.88 2e8m s VAL 20 Ca 0.00 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.87 2e8m s VAL 20 Cb 0.00 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 2e8m s VAL 20 CO 0.00 -0.29 1.76 -2.16 -0.31 0.00 0.00 175.10 174.10 2e8m s PRO 21 N -2.90 3.11 -0.46 4.82 0.04 -1.26 -4.86 135.00 133.48 2e8m s PRO 21 Ca 0.19 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.29 2e8m s PRO 21 Cb -0.06 -4.24 0.47 0.00 0.04 0.00 0.00 34.50 30.71 2e8m s PRO 21 CO 0.08 -2.13 1.90 0.54 0.04 0.00 0.00 177.00 177.43 2e8m n ARG 22 N 8.65 2.22 -3.01 4.56 1.74 -1.26 -4.96 116.66 124.61 2e8m n ARG 22 Ca 0.21 -2.63 -0.39 0.00 -0.77 0.00 0.00 57.85 54.27 2e8m n ARG 22 Cb 0.49 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2e8m n ARG 22 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2e8m s GLN 23 N -2.97 4.51 -1.08 5.56 2.00 -1.26 -4.20 119.66 122.22 2e8m s GLN 23 Ca 0.51 1.10 -0.10 0.00 -2.00 0.00 0.00 55.36 54.88 2e8m s GLN 23 Cb 0.41 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.95 2e8m s GLN 23 CO 0.04 0.56 0.89 0.09 -0.50 0.00 0.00 175.29 176.37 2e8m n ASN 24 N 1.51 -6.23 -4.70 6.67 3.02 -1.26 -5.01 115.26 109.25 2e8m n ASN 24 Ca -0.06 -0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 53.42 2e8m n ASN 24 Cb 0.49 -4.76 -0.07 0.00 -0.61 0.00 0.00 39.78 34.82 2e8m n ASN 24 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2e8m s VAL 25 N -3.41 4.04 0.87 2.41 -7.23 -1.26 -5.12 120.40 110.70 2e8m s VAL 25 Ca 0.45 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 2e8m s VAL 25 Cb -0.09 -2.98 0.11 0.00 0.56 0.00 0.00 36.38 33.99 2e8m s VAL 25 CO 0.77 0.03 1.09 -2.16 -0.31 0.00 0.00 175.10 174.52 2e8m s PRO 26 N -2.60 1.49 0.16 4.82 0.04 -1.26 -5.01 135.00 132.64 2e8m s PRO 26 Ca 0.27 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 2e8m s PRO 26 Cb -0.11 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2e8m s PRO 26 CO 0.19 -2.10 0.83 0.08 0.04 0.00 0.00 177.00 176.04 2e8m s VAL 27 N -2.93 4.35 -0.06 -0.36 1.01 -1.26 -5.06 120.40 116.09 2e8m s VAL 27 Ca 0.63 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 64.41 2e8m s VAL 27 Cb -0.18 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2e8m s VAL 27 CO 0.57 0.48 0.07 -0.63 0.00 0.00 0.00 175.10 175.58 2e8m s ILE 28 N -0.92 4.77 0.06 2.22 -1.09 -1.26 -5.11 121.20 119.87 2e8m s ILE 28 Ca 0.38 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.41 2e8m s ILE 28 Cb -0.24 -3.10 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2e8m s ILE 28 CO 0.28 0.50 0.43 0.20 -1.23 0.00 0.00 174.94 175.12 2e8m s ASN 29 N -1.27 -0.30 0.15 3.58 0.01 -1.26 -4.98 114.94 110.86 2e8m s ASN 29 Ca 0.18 -0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.36 2e8m s ASN 29 Cb -0.12 0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 2e8m s ASN 29 CO 0.08 -0.71 -0.13 0.27 -1.51 0.00 0.00 177.10 175.10 2e8m s ILE 30 N -2.69 1.36 0.39 0.60 -4.36 -1.26 -4.98 121.20 110.26 2e8m s ILE 30 Ca -0.04 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2e8m s ILE 30 Cb -0.00 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 2e8m s ILE 30 CO -0.04 -0.59 0.19 0.42 0.24 0.00 0.00 174.94 175.16 2e8m s THR 31 N -2.81 0.35 0.03 8.37 -4.23 -1.26 -4.89 115.64 111.21 2e8m s THR 31 Ca 0.15 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.98 2e8m s THR 31 Cb -0.01 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 71.80 2e8m s THR 31 CO 0.03 0.00 1.94 1.88 -0.54 0.00 0.00 174.62 177.93 2e8m h TYR 32 N 1.87 0.00 -0.83 3.99 0.05 -1.95 -2.48 116.97 117.62 2e8m h TYR 32 Ca -0.31 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.90 2e8m h TYR 32 Cb 1.26 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.59 2e8m h TYR 32 CO 1.67 0.00 -0.57 -0.25 -1.05 0.00 0.00 178.16 177.96 2e8m n ASP 33 N -2.69 5.32 -5.00 3.88 8.00 -1.26 -3.21 116.55 121.59 2e8m n ASP 33 Ca -0.00 -3.75 -0.18 0.00 0.71 0.00 0.00 54.79 51.56 2e8m n ASP 33 Cb 0.17 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.84 2e8m n ASP 33 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e8m s SER 34 N -3.34 5.68 0.24 -2.24 0.01 -0.94 -4.99 113.70 108.12 2e8m s SER 34 Ca 0.53 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 2e8m s SER 34 Cb 0.42 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2e8m s SER 34 CO 0.02 -0.75 0.45 0.42 0.41 0.00 0.00 173.24 173.79 2e8m s THR 35 N -2.39 5.15 -1.18 1.44 -4.23 -1.26 -3.05 115.64 110.12 2e8m s THR 35 Ca 0.53 -0.30 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 2e8m s THR 35 Cb -0.10 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2e8m s THR 35 CO 0.34 -0.26 1.43 -0.81 -0.54 0.00 0.00 174.62 174.78 2e8m n PRO 36 N -0.89 0.09 -0.00 3.99 -0.04 -1.26 -2.26 135.00 134.62 2e8m n PRO 36 Ca -0.04 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 2e8m n PRO 36 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 2e8m n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2e8m n GLU 37 N -1.41 0.65 0.07 0.54 2.13 -1.26 -4.09 120.64 117.26 2e8m n GLU 37 Ca 0.05 0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.88 2e8m n GLU 37 Cb 0.15 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.10 2e8m n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2e8m h ASP 38 N 0.00 0.00 -0.14 4.31 5.19 -1.83 -3.29 116.42 120.65 2e8m h ASP 38 Ca -0.20 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.10 2e8m h ASP 38 Cb 1.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 2e8m h ASP 38 CO 0.03 0.86 -0.24 0.58 -3.12 0.00 0.00 179.24 177.35 2e8m h VAL 39 N 0.00 1.27 -0.84 -1.35 2.07 -1.69 -2.49 116.25 113.21 2e8m h VAL 39 Ca -0.04 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.25 2e8m h VAL 39 Cb 1.69 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 2e8m h VAL 39 CO 0.11 0.42 0.51 0.50 0.02 0.00 0.00 177.57 179.12 2e8m h LYS 40 N 0.52 0.88 0.00 1.57 3.64 -1.71 -1.23 116.57 120.24 2e8m h LYS 40 Ca 0.07 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 2e8m h LYS 40 Cb 0.69 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2e8m h LYS 40 CO 0.05 0.58 -0.69 1.15 -2.27 0.00 0.00 179.45 178.27 2e8m h THR 41 N 0.91 1.41 -0.28 1.00 2.02 -1.66 -2.90 112.91 113.42 2e8m h THR 41 Ca 0.38 -2.44 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 2e8m h THR 41 Cb 0.22 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2e8m h THR 41 CO -0.19 0.68 -0.17 -0.25 0.37 0.00 0.00 175.52 175.96 2e8m h TRP 42 N 0.00 0.53 -0.00 3.16 7.01 -0.80 -1.10 115.95 124.75 2e8m h TRP 42 Ca -0.01 -0.09 -0.20 0.00 2.11 0.00 0.00 58.89 60.70 2e8m h TRP 42 Cb 1.29 -0.14 0.02 0.00 -2.10 0.00 0.00 29.16 28.23 2e8m h TRP 42 CO 0.00 0.63 -0.79 -0.07 -2.79 0.00 0.00 178.44 175.42 2e8m h LEU 43 N 0.44 0.70 -0.32 0.65 3.38 -1.29 -3.17 115.31 115.70 2e8m h LEU 43 Ca 0.08 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 2e8m h LEU 43 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2e8m h LEU 43 CO 0.04 1.36 0.13 1.56 0.09 0.00 0.00 178.44 181.61 2e8m h GLN 44 N 0.11 0.49 -0.43 1.13 1.08 -1.40 -1.99 115.11 114.10 2e8m h GLN 44 Ca -0.10 -0.09 0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2e8m h GLN 44 Cb 1.48 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.75 2e8m h GLN 44 CO 0.16 0.49 -0.07 1.03 -0.95 0.00 0.00 178.83 179.48 2e8m h SER 45 N 0.38 -0.33 -0.15 1.46 0.87 -1.29 0.12 113.55 114.61 2e8m h SER 45 Ca 0.11 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2e8m h SER 45 Cb 0.19 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2e8m h SER 45 CO -0.01 -0.12 0.11 0.11 -0.53 0.00 0.00 176.83 176.39 2e8m h LYS 46 N 0.03 0.00 0.00 2.24 1.79 -1.50 -3.46 116.57 115.68 2e8m h LYS 46 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2e8m h LYS 46 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2e8m h LYS 46 CO -0.41 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 2e8m n GLY 47 N -1.57 1.77 3.79 3.86 0.00 0.41 -5.10 105.19 108.35 2e8m n GLY 47 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2e8m n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e8m s PHE 48 N -2.00 3.64 0.79 1.61 0.08 -0.77 -5.02 117.98 116.31 2e8m s PHE 48 Ca 0.00 1.72 -0.15 0.00 0.12 0.00 0.00 56.93 58.62 2e8m s PHE 48 Cb 0.00 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2e8m s PHE 48 CO 0.00 0.18 0.56 0.27 -0.10 0.00 0.00 175.22 176.12 2e8m n ASN 49 N 0.40 -1.23 0.20 1.36 6.94 -1.26 -4.63 115.26 117.05 2e8m n ASN 49 Ca 0.02 0.52 0.06 0.00 -0.02 0.00 0.00 54.58 55.17 2e8m n ASN 49 Cb 0.51 -1.24 0.42 0.00 -2.36 0.00 0.00 39.78 37.11 2e8m n ASN 49 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2e8m h PRO 50 N -0.74 0.00 0.00 -0.53 0.13 -1.99 -2.80 132.00 126.07 2e8m h PRO 50 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2e8m h PRO 50 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2e8m h PRO 50 CO 0.41 0.32 -0.04 0.28 -0.23 0.00 0.00 178.00 178.73 2e8m h VAL 51 N 0.00 0.35 0.06 1.56 2.07 -2.00 -1.55 116.25 116.73 2e8m h VAL 51 Ca -0.00 -0.24 -0.35 0.00 0.82 0.00 0.00 66.70 66.93 2e8m h VAL 51 Cb 0.73 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2e8m h VAL 51 CO 0.04 0.04 -1.97 0.41 0.02 0.00 0.00 177.57 176.12 2e8m n THR 52 N -3.49 1.64 0.30 2.57 -1.04 -1.07 -3.62 114.28 109.58 2e8m n THR 52 Ca -0.02 -0.46 0.18 0.00 -2.04 0.00 0.00 64.05 61.71 2e8m n THR 52 Cb 0.16 -1.77 0.97 0.00 -1.82 0.00 0.00 70.33 67.87 2e8m n THR 52 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2e8m h VAL 53 N -0.32 0.23 0.23 12.58 2.07 -1.36 0.23 116.25 129.91 2e8m h VAL 53 Ca -0.47 -0.21 -0.34 0.00 0.82 0.00 0.00 66.70 66.51 2e8m h VAL 53 Cb 1.79 1.16 0.03 0.00 -1.52 0.00 0.00 31.29 32.75 2e8m h VAL 53 CO -0.07 0.03 -1.59 -1.13 0.02 0.00 0.00 177.57 174.82 2e8m h ASN 54 N 0.00 0.75 0.03 0.57 -0.73 -1.44 -2.10 115.58 112.66 2e8m h ASN 54 Ca -0.00 -0.93 -0.15 0.00 1.87 0.00 0.00 56.30 57.09 2e8m h ASN 54 Cb 0.16 -0.24 0.01 0.00 0.27 0.00 0.00 38.32 38.52 2e8m h ASN 54 CO 0.00 1.75 -0.61 -1.28 -0.37 0.00 0.00 177.43 176.92 2e8m h SER 55 N 0.12 0.47 -0.42 1.15 0.87 -1.48 -3.25 113.55 111.01 2e8m h SER 55 Ca -0.30 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 59.44 2e8m h SER 55 Cb 2.14 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2e8m h SER 55 CO 0.23 1.23 0.02 0.18 -0.53 0.00 0.00 176.83 177.96 2e8m n LEU 56 N -4.23 4.45 -1.34 2.23 4.77 0.77 -4.07 117.00 119.57 2e8m n LEU 56 Ca -0.11 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.73 2e8m n LEU 56 Cb 0.69 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.46 2e8m n LEU 56 CO 0.46 0.53 0.77 0.61 -1.33 0.00 0.00 177.39 178.43 2e8m n GLY 57 N 0.41 2.37 0.00 -0.72 0.00 -0.79 -4.14 105.19 102.32 2e8m n GLY 57 Ca 0.21 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.45 2e8m n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e8m n VAL 58 N 1.64 0.00 -3.43 1.61 0.24 -1.26 -4.57 118.33 112.56 2e8m n VAL 58 Ca 0.24 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.94 2e8m n VAL 58 Cb 0.62 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 2e8m n VAL 58 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2e8m s LEU 59 N -2.74 4.44 0.83 1.34 1.43 -1.26 -4.74 118.68 117.99 2e8m s LEU 59 Ca -0.00 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 2e8m s LEU 59 Cb 0.02 -2.65 0.09 0.00 0.03 0.00 0.00 46.19 43.68 2e8m s LEU 59 CO 0.12 0.25 1.09 0.54 0.23 0.00 0.00 176.35 178.58 2e8m s ASN 60 N -0.71 4.11 0.36 2.29 2.20 -1.26 -4.22 114.94 117.71 2e8m s ASN 60 Ca 0.25 1.40 0.11 0.00 -0.94 0.00 0.00 52.86 53.69 2e8m s ASN 60 Cb -0.17 -2.12 0.90 0.00 -2.00 0.00 0.00 41.25 37.86 2e8m s ASN 60 CO 0.13 -2.22 1.81 1.23 -2.94 0.00 0.00 177.10 175.11 2e8m h GLY 61 N -1.26 1.38 1.00 0.45 0.00 -1.68 -0.30 103.07 102.66 2e8m h GLY 61 Ca -0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2e8m h GLY 61 CO 0.57 -0.04 -0.28 0.00 0.00 0.00 0.00 176.54 176.79 2e8m h ALA 62 N 1.62 -0.78 -0.06 3.60 0.00 -1.61 0.54 119.26 122.56 2e8m h ALA 62 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2e8m h ALA 62 Cb 1.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2e8m h ALA 62 CO -0.29 -0.93 0.02 1.96 0.00 0.00 0.00 179.25 180.01 2e8m h GLN 63 N -0.80 0.06 -0.85 0.00 1.08 -1.68 -2.34 115.11 110.57 2e8m h GLN 63 Ca -0.08 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2e8m h GLN 63 Cb 0.61 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 2e8m h GLN 63 CO 0.13 0.04 0.55 1.25 -0.95 0.00 0.00 178.83 179.85 2e8m h LEU 64 N 0.06 0.79 -1.83 1.46 6.46 -1.04 0.12 115.31 121.32 2e8m h LEU 64 Ca 0.03 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2e8m h LEU 64 Cb 0.01 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2e8m h LEU 64 CO -0.03 0.48 -0.08 -0.26 -0.62 0.00 0.00 178.44 177.94 2e8m h PHE 65 N 0.88 0.00 0.00 1.25 -1.00 -0.37 -2.29 116.94 115.41 2e8m h PHE 65 Ca 0.38 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.99 2e8m h PHE 65 Cb 0.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 2e8m h PHE 65 CO -0.00 0.08 -0.93 1.03 -1.61 0.00 0.00 178.31 176.88 2e8m h SER 66 N 0.00 0.00 -2.78 2.17 0.87 -0.34 -3.45 113.55 110.03 2e8m h SER 66 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2e8m h SER 66 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2e8m h SER 66 CO 0.01 0.75 0.93 -0.76 -0.53 0.00 0.00 176.83 177.24 2e8m s LEU 67 N -6.44 4.34 0.00 2.23 1.43 -0.86 -5.01 118.68 114.37 2e8m s LEU 67 Ca 0.01 2.32 -0.01 0.00 -1.03 0.00 0.00 54.13 55.43 2e8m s LEU 67 Cb 0.09 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.82 2e8m s LEU 67 CO 0.79 -0.82 0.50 0.59 0.23 0.00 0.00 176.35 177.65 2e8m n ASN 68 N 5.55 0.62 0.32 2.29 3.02 -1.26 -4.77 115.26 121.03 2e8m n ASN 68 Ca 0.15 -1.54 0.20 0.00 -0.03 0.00 0.00 54.58 53.36 2e8m n ASN 68 Cb 0.42 -0.33 1.11 0.00 -0.61 0.00 0.00 39.78 40.37 2e8m n ASN 68 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2e8m h LYS 69 N 0.00 0.00 0.00 3.52 3.64 -1.95 -1.02 116.57 120.76 2e8m h LYS 69 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2e8m h LYS 69 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2e8m h LYS 69 CO 0.17 0.00 -0.14 0.22 -2.27 0.00 0.00 179.45 177.43 2e8m h ASP 70 N 0.00 0.00 -0.79 4.20 3.58 -1.95 -2.78 116.42 118.68 2e8m h ASP 70 Ca -0.00 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.59 2e8m h ASP 70 Cb 0.01 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 2e8m h ASP 70 CO 0.00 0.54 0.36 -0.33 -2.88 0.00 0.00 179.24 176.93 2e8m h GLU 71 N -0.94 0.51 -0.11 0.28 4.39 -1.89 0.13 114.58 116.95 2e8m h GLU 71 Ca 0.00 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2e8m h GLU 71 Cb 0.14 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2e8m h GLU 71 CO 0.00 0.34 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.73 2e8m h LEU 72 N 0.53 0.24 -0.96 1.33 3.38 -1.35 -2.15 115.31 116.31 2e8m h LEU 72 Ca 0.43 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2e8m h LEU 72 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2e8m h LEU 72 CO -0.38 0.61 -0.20 -0.09 0.09 0.00 0.00 178.44 178.47 2e8m h ARG 73 N 0.19 0.00 0.03 1.13 2.43 -0.54 -2.38 114.38 115.24 2e8m h ARG 73 Ca 0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2e8m h ARG 73 Cb 0.78 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2e8m h ARG 73 CO 0.06 0.20 -0.45 1.79 -1.51 0.00 0.00 179.97 180.06 2e8m h THR 74 N 0.00 1.54 -0.48 0.20 1.35 -0.64 -3.35 112.91 111.54 2e8m h THR 74 Ca -0.00 -2.35 -0.03 0.00 -0.55 0.00 0.00 66.41 63.48 2e8m h THR 74 Cb 0.80 3.11 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 2e8m h THR 74 CO 0.03 0.58 0.17 1.62 -0.25 0.00 0.00 175.52 177.67 2e8m h VAL 75 N -0.86 1.19 -3.49 6.82 3.04 -1.44 -3.44 116.25 118.07 2e8m h VAL 75 Ca -0.11 -0.60 -0.11 0.00 -1.01 0.00 0.00 66.70 64.87 2e8m h VAL 75 Cb 1.21 0.64 -0.17 0.00 -2.01 0.00 0.00 31.29 30.95 2e8m h VAL 75 CO -0.01 0.23 -0.36 0.00 -1.01 0.00 0.00 177.57 176.42 2e8m h PRO 77 N 3.45 0.00 -0.85 0.00 0.13 -1.82 -2.75 132.00 130.16 2e8m h PRO 77 Ca -0.32 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.59 2e8m h PRO 77 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2e8m h PRO 77 CO 0.47 0.10 0.29 0.39 -0.23 0.00 0.00 178.00 179.01 2e8m n GLU 78 N -3.26 2.92 0.35 0.86 -0.58 -1.26 -4.57 120.64 115.10 2e8m n GLU 78 Ca 0.00 -2.41 -0.18 0.00 -0.42 0.00 0.00 57.16 54.15 2e8m n GLU 78 Cb 0.34 -2.01 -0.09 0.00 -0.57 0.00 0.00 31.44 29.11 2e8m n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2e8m h GLY 79 N 2.81 -1.08 0.37 0.62 0.00 -1.52 0.64 103.07 104.90 2e8m h GLY 79 Ca 0.28 0.45 0.23 0.00 0.00 0.00 0.00 47.33 48.29 2e8m h GLY 79 CO 0.65 -0.38 0.59 0.00 0.00 0.00 0.00 176.54 177.41 2e8m h ALA 80 N -0.72 2.76 0.08 3.60 0.00 -1.81 0.33 119.26 123.50 2e8m h ALA 80 Ca -0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 2e8m h ALA 80 Cb 0.80 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2e8m h ALA 80 CO 0.07 -1.01 -1.14 0.00 0.00 0.00 0.00 179.25 177.17 2e8m h ARG 81 N 0.00 0.21 -0.00 0.00 2.47 -1.72 -3.11 114.38 112.22 2e8m h ARG 81 Ca 0.38 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2e8m h ARG 81 Cb 1.56 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 2e8m h ARG 81 CO -0.00 1.14 -0.05 0.28 0.56 0.00 0.00 179.97 181.90 2e8m h VAL 82 N 0.06 1.61 -0.86 2.04 2.07 0.18 -3.25 116.25 118.10 2e8m h VAL 82 Ca -0.09 -1.85 0.12 0.00 0.82 0.00 0.00 66.70 65.70 2e8m h VAL 82 Cb 1.87 2.84 -0.08 0.00 -1.52 0.00 0.00 31.29 34.40 2e8m h VAL 82 CO 0.18 0.49 0.48 0.22 0.02 0.00 0.00 177.57 178.96 2e8m h TYR 83 N -0.72 0.86 0.00 1.57 3.20 -0.78 0.26 116.97 121.37 2e8m h TYR 83 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2e8m h TYR 83 Cb 0.82 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2e8m h TYR 83 CO 0.20 0.29 -0.01 0.77 -1.64 0.00 0.00 178.16 177.76 2e8m h SER 84 N 0.74 0.00 0.89 -2.11 0.02 -1.62 0.16 113.55 111.64 2e8m h SER 84 Ca 0.45 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 2e8m h SER 84 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2e8m h SER 84 CO -0.30 0.01 -1.16 1.56 -1.14 0.00 0.00 176.83 175.80 2e8m h GLN 85 N 0.00 0.00 0.00 3.45 1.08 -0.55 -3.35 115.11 115.73 2e8m h GLN 85 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2e8m h GLN 85 Cb 0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2e8m h GLN 85 CO 0.00 0.14 -1.45 0.82 -0.95 0.00 0.00 178.83 177.38 2e8m h ILE 86 N 0.00 0.92 -0.36 2.54 2.04 -0.02 -3.34 117.51 119.29 2e8m h ILE 86 Ca -0.07 -2.64 0.04 0.00 1.00 0.00 0.00 64.86 63.18 2e8m h ILE 86 Cb 1.26 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 2e8m h ILE 86 CO 0.02 0.52 0.24 0.00 0.00 0.00 0.00 178.15 178.94 2e8m h THR 87 N 0.00 1.00 0.00 -0.27 1.03 -0.90 -0.02 112.91 113.75 2e8m h THR 87 Ca -0.19 -0.12 -0.06 0.00 -0.01 0.00 0.00 66.41 66.03 2e8m h THR 87 Cb 1.84 0.63 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 2e8m h THR 87 CO 0.08 0.06 -0.28 1.62 -0.01 0.00 0.00 175.52 177.00 2e8m h VAL 88 N 0.34 0.56 0.00 0.00 3.04 -1.73 -2.64 116.25 115.82 2e8m h VAL 88 Ca 0.15 -1.43 -0.10 0.00 -1.01 0.00 0.00 66.70 64.30 2e8m h VAL 88 Cb 0.18 2.00 0.01 0.00 -2.01 0.00 0.00 31.29 31.46 2e8m h VAL 88 CO -0.03 0.27 -0.40 1.56 -1.01 0.00 0.00 177.57 177.96 2e8m h GLN 89 N 0.00 0.27 -0.54 4.17 1.08 -1.16 -3.14 115.11 115.79 2e8m h GLN 89 Ca -0.00 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 56.83 2e8m h GLN 89 Cb 0.98 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 2e8m h GLN 89 CO 0.04 1.00 0.05 0.87 -0.95 0.00 0.00 178.83 179.84 2e8m h LYS 90 N -0.35 0.91 -0.07 1.46 1.57 -1.45 -2.48 116.57 116.17 2e8m h LYS 90 Ca -0.05 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2e8m h LYS 90 Cb 1.15 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2e8m h LYS 90 CO 0.08 0.90 0.07 0.00 -0.57 0.00 0.00 179.45 179.94 2e8m h ALA 91 N 0.97 1.69 -0.09 3.86 0.00 -1.56 0.12 119.26 124.25 2e8m h ALA 91 Ca 0.16 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2e8m h ALA 91 Cb 0.46 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2e8m h ALA 91 CO 0.02 -0.11 -0.78 0.00 0.00 0.00 0.00 179.25 178.38 2e8m h ALA 92 N 1.92 0.21 0.04 0.00 0.00 -1.39 -3.35 119.26 116.69 2e8m h ALA 92 Ca 0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2e8m h ALA 92 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2e8m h ALA 92 CO -0.00 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.75 2e8m h LEU 93 N 0.35 -0.04-10.19 0.00 3.38 -1.19 -3.46 115.31 104.17 2e8m h LEU 93 Ca -0.07 -0.65 -0.49 0.00 0.09 0.00 0.00 57.88 56.75 2e8m h LEU 93 Cb 1.43 0.01 0.05 0.00 0.09 0.00 0.00 40.66 42.24 2e8m h LEU 93 CO 0.16 0.70 0.38 -0.55 0.09 0.00 0.00 178.44 179.22 2e8m s SER 94 N -5.88 5.96 0.00 -0.43 0.15 0.31 -4.59 113.70 109.23 2e8m s SER 94 Ca -0.15 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2e8m s SER 94 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2e8m s SER 94 CO 0.58 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2e8m n GLY 95 N -1.03 1.87 3.77 9.45 0.00 -1.26 -4.73 105.19 113.25 2e8m n GLY 95 Ca 0.08 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2e8m n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e8m s PRO 96 N 0.00 3.91 -0.29 1.61 0.04 -1.26 -5.05 135.00 133.96 2e8m s PRO 96 Ca 0.00 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 2e8m s PRO 96 Cb 0.00 -2.56 0.13 0.00 0.04 0.00 0.00 34.50 32.12 2e8m s PRO 96 CO 0.00 -0.44 0.84 -1.12 0.04 0.00 0.00 177.00 176.32 2e8m s SER 97 N -1.21 -0.77 -0.30 6.66 0.01 -1.26 -5.16 113.70 111.68 2e8m s SER 97 Ca 0.60 1.13 -0.12 0.00 1.31 0.00 0.00 55.95 58.87 2e8m s SER 97 Cb -0.30 1.65 0.13 0.00 0.21 0.00 0.00 66.02 67.70 2e8m s SER 97 CO 0.38 -0.17 0.74 -0.55 0.41 0.00 0.00 173.24 174.05 2e8m s SER 98 N 2.11 -0.98 0.00 2.44 0.15 -1.26 -5.33 113.70 110.83 2e8m s SER 98 Ca -0.07 1.38 0.15 0.00 0.70 0.00 0.00 55.95 58.12 2e8m s SER 98 Cb -0.07 1.99 0.12 0.00 -1.71 0.00 0.00 66.02 66.35 2e8m s SER 98 CO -0.18 -0.20 0.97 0.61 1.20 0.00 0.00 173.24 175.65