#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 n ARG 2 N 0.00 0.52 0.00 2.12 1.85 -1.26 -4.99 116.66 114.90 1q38 n ARG 2 Ca 0.00 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1q38 n ARG 2 Cb 0.00 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q38 n GLY 3 N 2.51 -0.47 0.58 2.89 0.00 -1.26 -4.94 105.19 104.50 1q38 n GLY 3 Ca -0.37 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.44 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 4 N 0.00 -0.29 0.00 1.61 3.41 -1.26 -5.11 113.62 111.98 1q38 n SER 4 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1q38 n SER 4 Cb 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q38 n ASN 5 N -0.80 0.00 -2.73 4.04 4.13 -1.26 -4.93 115.26 113.70 1q38 n ASN 5 Ca -0.01 0.14 -0.08 0.00 1.68 0.00 0.00 54.58 56.31 1q38 n ASN 5 Cb 0.09 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.40 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q38 n ALA 6 N -0.54 -1.40 0.66 5.41 0.00 -1.26 -4.98 120.51 118.40 1q38 n ALA 6 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 53.44 52.17 1q38 n ALA 6 Cb 0.00 -1.46 0.15 0.00 0.00 0.00 0.00 19.45 18.14 1q38 n ALA 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q38 n PRO 7 N 1.14 2.12 -2.86 0.00 -0.05 -1.26 -4.96 135.00 129.13 1q38 n PRO 7 Ca 0.07 -1.19 -0.06 0.00 -0.05 0.00 0.00 63.50 62.26 1q38 n PRO 7 Cb 0.66 -1.50 0.01 0.00 -0.05 0.00 0.00 33.50 32.62 1q38 n PRO 7 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 1q38 n GLN 8 N 0.33 -2.70 -1.54 0.54 7.27 -1.26 -4.98 117.38 115.05 1q38 n GLN 8 Ca 0.11 2.28 -0.31 0.00 0.07 0.00 0.00 57.00 59.15 1q38 n GLN 8 Cb 0.43 -5.03 0.06 0.00 2.41 0.00 0.00 30.24 28.11 1q38 n GLN 8 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1q38 s PRO 9 N -2.09 2.82 0.07 3.69 0.04 -1.26 -4.98 135.00 133.28 1q38 s PRO 9 Ca 0.14 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 1q38 s PRO 9 Cb -0.03 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1q38 s PRO 9 CO 0.74 -1.20 1.52 0.77 0.04 0.00 0.00 177.00 178.87 1q38 h SER 10 N -0.73 0.33 -5.42 6.66 0.02 -2.04 -3.46 113.55 108.92 1q38 h SER 10 Ca -0.44 -0.29 -0.16 0.00 -0.84 0.00 0.00 61.79 60.06 1q38 h SER 10 Cb 1.22 -0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 1q38 h SER 10 CO 0.56 0.54 -0.45 -1.38 -1.14 0.00 0.00 176.83 174.96 1q38 s HIS 11 N -5.04 0.77 0.14 3.45 0.00 -1.26 -5.11 115.29 108.25 1q38 s HIS 11 Ca -0.14 -1.08 -0.03 0.00 -3.00 0.00 0.00 55.06 50.82 1q38 s HIS 11 Cb 0.07 -0.27 -0.05 0.00 -4.00 0.00 0.00 32.58 28.33 1q38 s HIS 11 CO 0.73 -0.72 0.35 -1.50 -1.00 0.00 0.00 174.74 172.60 1q38 s ILE 12 N -4.07 5.22 0.20 -5.38 1.10 -1.26 -4.96 121.20 112.05 1q38 s ILE 12 Ca 0.28 -0.17 -0.14 0.00 -0.51 0.00 0.00 60.65 60.12 1q38 s ILE 12 Cb 0.05 -3.66 0.17 0.00 0.15 0.00 0.00 42.46 39.17 1q38 s ILE 12 CO 0.07 -0.01 1.66 0.28 -2.11 0.00 0.00 174.94 174.83 1q38 h SER 13 N 2.63 -0.39 -3.57 4.50 0.02 -1.89 -2.74 113.55 112.12 1q38 h SER 13 Ca -0.46 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1q38 h SER 13 Cb 1.17 0.29 -0.25 0.00 0.14 0.00 0.00 62.40 63.76 1q38 h SER 13 CO 0.72 -0.14 0.50 -1.59 -1.14 0.00 0.00 176.83 175.17 1q38 s LYS 14 N -6.19 0.54 0.20 3.45 -2.85 -1.10 -4.48 119.74 109.30 1q38 s LYS 14 Ca -0.14 0.40 0.06 0.00 -1.00 0.00 0.00 55.97 55.29 1q38 s LYS 14 Cb 0.17 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1q38 s LYS 14 CO 0.73 -0.11 0.14 -0.47 0.10 0.00 0.00 175.35 175.73 1q38 s TYR 15 N -0.33 3.08 0.07 1.78 6.14 0.11 -0.46 117.35 127.73 1q38 s TYR 15 Ca 0.01 -0.07 0.07 0.00 0.64 0.00 0.00 57.07 57.72 1q38 s TYR 15 Cb -0.03 -1.44 -0.04 0.00 0.42 0.00 0.00 41.96 40.87 1q38 s TYR 15 CO -0.03 0.53 -0.14 -1.50 0.64 0.00 0.00 175.55 175.04 1q38 s ILE 16 N -1.92 3.07 -0.20 3.14 -1.16 0.11 -0.94 121.20 123.30 1q38 s ILE 16 Ca 0.31 -1.24 -0.02 0.00 -0.51 0.00 0.00 60.65 59.19 1q38 s ILE 16 Cb -0.09 -2.37 0.06 0.00 0.61 0.00 0.00 42.46 40.67 1q38 s ILE 16 CO 0.23 0.22 0.03 -0.22 -2.81 0.00 0.00 174.94 172.39 1q38 s LEU 17 N -1.83 1.40 -0.09 8.50 2.96 0.32 -2.27 118.68 127.66 1q38 s LEU 17 Ca 0.18 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1q38 s LEU 17 Cb -0.11 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.92 1q38 s LEU 17 CO 0.09 -0.30 -0.13 0.00 -1.32 0.00 0.00 176.35 174.69 1q38 s ARG 18 N 1.79 1.93 0.16 1.98 1.70 -0.32 0.64 118.95 126.83 1q38 s ARG 18 Ca -0.01 -0.47 -0.24 0.00 -0.47 0.00 0.00 55.73 54.54 1q38 s ARG 18 Cb -0.17 -1.64 0.06 0.00 -0.57 0.00 0.00 34.95 32.63 1q38 s ARG 18 CO -0.08 -0.03 0.75 1.67 -1.08 0.00 0.00 175.30 176.53 1q38 s TRP 19 N 0.89 -0.33 -0.21 5.89 -2.14 -1.09 0.17 118.94 122.11 1q38 s TRP 19 Ca -0.10 0.05 -0.18 0.00 2.66 0.00 0.00 56.10 58.53 1q38 s TRP 19 Cb -0.15 0.61 0.06 0.00 -3.10 0.00 0.00 33.47 30.89 1q38 s TRP 19 CO 0.01 -0.90 0.56 -0.98 -2.66 0.00 0.00 176.95 172.98 1q38 s ARG 20 N -3.60 0.63 -0.30 3.25 3.03 -0.01 -0.16 118.95 121.79 1q38 s ARG 20 Ca 0.07 0.82 -0.31 0.00 2.03 0.00 0.00 55.73 58.34 1q38 s ARG 20 Cb -0.02 0.27 -0.08 0.00 -1.03 0.00 0.00 34.95 34.08 1q38 s ARG 20 CO -0.04 -0.09 2.23 -0.35 -1.13 0.00 0.00 175.30 175.92 1q38 n PRO 21 N 3.08 1.48 0.03 3.89 -0.04 -1.26 -1.26 135.00 140.91 1q38 n PRO 21 Ca -0.15 0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1q38 n PRO 21 Cb 0.56 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.06 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1q38 h LYS 22 N 14.08 -0.60 -0.51 0.54 3.11 -0.44 -1.44 116.57 131.32 1q38 h LYS 22 Ca -0.33 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.53 1q38 h LYS 22 Cb 1.28 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.62 1q38 h LYS 22 CO 1.00 -0.40 0.23 -0.97 -2.81 0.00 0.00 179.45 176.50 1q38 h ASN 23 N -0.62 0.68 -2.64 4.20 -1.24 -1.65 -3.24 115.58 111.07 1q38 h ASN 23 Ca 0.03 -0.15 -0.77 0.00 0.71 0.00 0.00 56.30 56.12 1q38 h ASN 23 Cb 0.70 -0.18 -0.30 0.00 0.73 0.00 0.00 38.32 39.27 1q38 h ASN 23 CO -0.38 0.64 0.62 -1.20 -1.29 0.00 0.00 177.43 175.82 1q38 n SER 24 N -4.58 6.26 -4.54 1.15 7.64 -0.97 -5.04 113.62 113.53 1q38 n SER 24 Ca 0.02 -3.50 -0.47 0.00 1.01 0.00 0.00 58.87 55.93 1q38 n SER 24 Cb 0.13 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 1q38 n SER 24 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1q38 n VAL 25 N 0.86 1.56 0.00 0.44 3.14 -0.58 -4.36 118.33 119.39 1q38 n VAL 25 Ca 0.32 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1q38 n VAL 25 Cb 0.33 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q38 n GLY 26 N 1.65 -1.38 3.37 7.55 0.00 -1.26 -5.01 105.19 110.11 1q38 n GLY 26 Ca 0.13 0.46 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 1q38 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1q38 s ARG 27 N 0.00 0.81 1.09 1.61 1.70 -1.26 -5.11 118.95 117.78 1q38 s ARG 27 Ca 0.00 0.09 -0.13 0.00 -0.47 0.00 0.00 55.73 55.22 1q38 s ARG 27 Cb 0.00 0.37 0.24 0.00 -0.57 0.00 0.00 34.95 34.99 1q38 s ARG 27 CO 0.00 -0.23 1.07 -1.58 -1.08 0.00 0.00 175.30 173.48 1q38 s TRP 28 N -1.08 1.69 0.16 5.89 0.52 -1.26 -4.40 118.94 120.46 1q38 s TRP 28 Ca -0.11 0.97 0.00 0.00 0.02 0.00 0.00 56.10 56.98 1q38 s TRP 28 Cb -0.03 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.03 1q38 s TRP 28 CO 0.06 -3.36 0.05 0.21 0.02 0.00 0.00 176.95 173.93 1q38 s LYS 29 N -4.85 1.04 -0.06 4.98 2.47 0.78 -4.84 119.74 119.27 1q38 s LYS 29 Ca 0.67 -1.51 -0.02 0.00 -1.56 0.00 0.00 55.97 53.55 1q38 s LYS 29 Cb -0.20 0.05 0.04 0.00 -1.46 0.00 0.00 37.83 36.26 1q38 s LYS 29 CO 0.60 -0.23 0.11 -1.83 0.16 0.00 0.00 175.35 174.16 1q38 s GLU 30 N -4.02 0.03 -0.05 4.03 -1.05 -1.17 -2.69 118.70 113.79 1q38 s GLU 30 Ca 0.26 0.38 -0.02 0.00 -0.15 0.00 0.00 54.97 55.45 1q38 s GLU 30 Cb 0.07 -0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.54 1q38 s GLU 30 CO 0.04 -0.22 0.09 0.00 0.95 0.00 0.00 175.26 176.12 1q38 s ALA 31 N 1.56 -0.10 -0.26 -0.84 0.00 0.21 -4.92 121.76 117.40 1q38 s ALA 31 Ca -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1q38 s ALA 31 Cb -0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1q38 s ALA 31 CO -0.05 -0.15 0.10 0.99 0.00 0.00 0.00 175.76 176.65 1q38 s THR 32 N 1.17 4.48 -0.31 0.00 2.01 -1.26 0.12 115.64 121.85 1q38 s THR 32 Ca -0.09 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1q38 s THR 32 Cb -0.12 -3.13 0.07 0.00 0.01 0.00 0.00 72.50 69.33 1q38 s THR 32 CO -0.05 0.30 0.01 -0.63 -0.69 0.00 0.00 174.62 173.56 1q38 s ILE 33 N 1.63 2.69 -0.71 1.82 -1.09 -0.12 -4.86 121.20 120.56 1q38 s ILE 33 Ca 0.06 -1.73 -0.26 0.00 -2.23 0.00 0.00 60.65 56.50 1q38 s ILE 33 Cb -0.15 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1q38 s ILE 33 CO 0.05 -0.26 1.76 -2.84 -1.23 0.00 0.00 174.94 172.42 1q38 s PRO 34 N 1.13 2.75 -1.61 2.79 0.02 -1.26 0.05 135.00 138.87 1q38 s PRO 34 Ca -0.01 0.21 -0.10 0.00 0.02 0.00 0.00 61.00 61.12 1q38 s PRO 34 Cb -0.20 -4.53 0.09 0.00 0.02 0.00 0.00 34.50 29.88 1q38 s PRO 34 CO -0.04 -2.73 0.51 0.41 -0.33 0.00 0.00 177.00 174.82 1q38 n GLY 35 N 5.92 -0.31 2.99 0.52 0.00 -1.03 -2.93 105.19 110.35 1q38 n GLY 35 Ca 0.22 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1q38 n GLY 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 36 N -4.39 -3.31 0.08 1.61 -0.00 -1.26 -4.79 115.22 103.17 1q38 n HIS 36 Ca -0.11 1.34 -0.03 0.00 0.46 0.00 0.00 57.72 59.38 1q38 n HIS 36 Cb 0.58 -3.66 0.20 0.00 -0.12 0.00 0.00 29.99 26.99 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 1q38 h LEU 37 N 1.90 0.30 0.00 0.27 -0.00 -1.85 -3.48 115.31 112.45 1q38 h LEU 37 Ca -0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1q38 h LEU 37 Cb 1.08 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1q38 h LEU 37 CO 0.21 0.69 0.00 -0.46 -0.00 0.00 0.00 178.44 178.89 1q38 n ASN 38 N -4.01 0.00 -4.52 0.17 2.04 -1.26 -5.11 115.26 102.57 1q38 n ASN 38 Ca -0.02 -0.44 -0.43 0.00 -0.44 0.00 0.00 54.58 53.26 1q38 n ASN 38 Cb 0.50 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.70 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1q38 s SER 39 N 0.68 6.34 -0.27 0.53 0.01 -1.26 -5.00 113.70 114.74 1q38 s SER 39 Ca 0.00 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1q38 s SER 39 Cb 0.00 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.86 1q38 s SER 39 CO 0.00 -1.24 -0.05 -0.47 0.41 0.00 0.00 173.24 171.89 1q38 s TYR 40 N 3.97 2.90 0.09 2.43 5.04 -1.26 -5.11 117.35 125.41 1q38 s TYR 40 Ca 0.30 -2.17 0.10 0.00 -2.44 0.00 0.00 57.07 52.86 1q38 s TYR 40 Cb -0.13 -1.93 -0.03 0.00 0.35 0.00 0.00 41.96 40.22 1q38 s TYR 40 CO 0.19 -0.85 -0.25 0.99 -1.34 0.00 0.00 175.55 174.29 1q38 s THR 41 N 1.22 2.06 0.00 4.34 2.01 -1.26 -5.13 115.64 118.88 1q38 s THR 41 Ca -0.03 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.26 1q38 s THR 41 Cb -0.19 -1.80 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1q38 s THR 41 CO -0.07 0.18 0.51 -0.63 -0.69 0.00 0.00 174.62 173.92 1q38 s ILE 42 N -0.95 4.93 0.11 1.82 1.01 -1.26 -5.09 121.20 121.78 1q38 s ILE 42 Ca 0.11 1.07 0.09 0.00 0.00 0.00 0.00 60.65 61.92 1q38 s ILE 42 Cb -0.10 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1q38 s ILE 42 CO 0.04 0.49 -0.17 -0.54 0.00 0.00 0.00 174.94 174.76 1q38 s LYS 43 N -0.61 1.86 0.00 2.79 3.01 -1.26 -4.77 119.74 120.76 1q38 s LYS 43 Ca 0.27 -1.14 0.00 0.00 -1.01 0.00 0.00 55.97 54.09 1q38 s LYS 43 Cb -0.18 -2.15 0.00 0.00 -1.01 0.00 0.00 37.83 34.50 1q38 s LYS 43 CO 0.16 0.49 0.00 0.41 0.51 0.00 0.00 175.35 176.91 1q38 n GLY 44 N 0.84 1.79 3.53 -3.33 0.00 -1.26 -5.12 105.19 101.64 1q38 n GLY 44 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1q38 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q38 s LEU 45 N 0.00 2.33 -0.15 0.99 1.02 -1.26 -5.03 118.68 116.58 1q38 s LEU 45 Ca 0.00 -1.45 -0.34 0.00 0.02 0.00 0.00 54.13 52.36 1q38 s LEU 45 Cb 0.00 -0.50 0.15 0.00 0.02 0.00 0.00 46.19 45.85 1q38 s LEU 45 CO 0.00 -0.64 1.37 -1.59 0.02 0.00 0.00 176.35 175.51 1q38 s LYS 46 N -3.82 0.13 0.63 1.70 -2.85 -1.17 -3.80 119.74 110.56 1q38 s LYS 46 Ca 0.31 -0.06 0.23 0.00 -1.00 0.00 0.00 55.97 55.45 1q38 s LYS 46 Cb 0.07 0.05 1.12 0.00 -2.06 0.00 0.00 37.83 37.02 1q38 s LYS 46 CO 0.15 -0.06 1.60 -1.35 0.10 0.00 0.00 175.35 175.79 1q38 h PRO 47 N 2.00 0.00 0.14 1.78 0.11 -1.90 0.45 132.00 134.58 1q38 h PRO 47 Ca -0.20 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.61 1q38 h PRO 47 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1q38 h PRO 47 CO 0.25 0.00 -1.45 0.78 -0.21 0.00 0.00 178.00 177.37 1q38 h GLY 48 N 0.00 0.34 -6.18 -0.55 0.00 -2.01 -3.44 103.07 91.22 1q38 h GLY 48 Ca 0.18 -0.87 -0.66 0.00 0.00 0.00 0.00 47.33 45.97 1q38 h GLY 48 CO -0.00 0.76 -0.76 0.14 0.00 0.00 0.00 176.54 176.68 1q38 s VAL 49 N -2.63 3.01 -0.18 4.60 1.01 0.16 -5.01 120.40 121.37 1q38 s VAL 49 Ca -0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1q38 s VAL 49 Cb 0.06 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1q38 s VAL 49 CO 0.87 0.49 0.09 0.54 0.00 0.00 0.00 175.10 177.09 1q38 s VAL 50 N 0.97 5.08 -0.23 2.92 0.11 -1.26 -3.02 120.40 124.97 1q38 s VAL 50 Ca -0.01 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1q38 s VAL 50 Cb -0.15 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1q38 s VAL 50 CO -0.01 0.47 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.88 1q38 s TYR 51 N 0.19 2.98 -0.04 1.54 1.51 0.10 0.30 117.35 123.93 1q38 s TYR 51 Ca 0.06 -1.01 -0.30 0.00 -1.01 0.00 0.00 57.07 54.81 1q38 s TYR 51 Cb -0.12 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1q38 s TYR 51 CO -0.00 -0.57 1.03 -2.00 -1.11 0.00 0.00 175.55 172.90 1q38 s GLU 52 N 1.46 4.47 0.17 -0.62 2.56 -0.39 -0.58 118.70 125.78 1q38 s GLU 52 Ca 0.05 1.47 0.07 0.00 0.00 0.00 0.00 54.97 56.56 1q38 s GLU 52 Cb -0.15 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.45 1q38 s GLU 52 CO -0.03 -0.21 -0.14 0.20 -0.56 0.00 0.00 175.26 174.51 1q38 s GLY 53 N 1.10 1.29 -0.08 -1.50 0.00 0.62 -0.83 107.32 107.91 1q38 s GLY 53 Ca 0.52 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1q38 s GLY 53 CO 0.24 -1.61 -0.03 1.62 0.00 0.00 0.00 173.10 173.32 1q38 s GLN 54 N -3.32 0.90 -0.37 2.90 0.74 0.45 -1.62 119.66 119.35 1q38 s GLN 54 Ca 0.18 -0.02 -0.06 0.00 0.05 0.00 0.00 55.36 55.51 1q38 s GLN 54 Cb -0.02 -1.14 0.06 0.00 1.10 0.00 0.00 33.01 33.02 1q38 s GLN 54 CO 0.05 -0.26 0.15 -0.51 -0.55 0.00 0.00 175.29 174.16 1q38 s LEU 55 N 1.77 4.64 -0.22 3.68 1.43 -0.62 -1.17 118.68 128.18 1q38 s LEU 55 Ca 0.03 -1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 51.68 1q38 s LEU 55 Cb -0.13 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1q38 s LEU 55 CO -0.05 -0.41 -0.05 -0.63 0.23 0.00 0.00 176.35 175.43 1q38 s ILE 56 N 1.34 3.27 0.10 -0.59 1.01 -0.96 -2.47 121.20 122.90 1q38 s ILE 56 Ca 0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1q38 s ILE 56 Cb -0.21 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 1q38 s ILE 56 CO 0.01 0.41 0.89 -0.44 0.00 0.00 0.00 174.94 175.81 1q38 s SER 57 N 1.46 7.41 -0.10 3.58 0.01 0.17 0.09 113.70 126.32 1q38 s SER 57 Ca 0.05 1.69 0.03 0.00 1.31 0.00 0.00 55.95 59.03 1q38 s SER 57 Cb -0.14 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1q38 s SER 57 CO -0.04 -0.02 -0.19 -0.63 0.41 0.00 0.00 173.24 172.77 1q38 s ILE 58 N -0.11 2.51 0.59 1.44 1.09 0.39 -0.74 121.20 126.35 1q38 s ILE 58 Ca 0.44 -0.87 -0.05 0.00 -1.10 0.00 0.00 60.65 59.06 1q38 s ILE 58 Cb -0.23 -1.99 0.13 0.00 -1.06 0.00 0.00 42.46 39.31 1q38 s ILE 58 CO 0.28 0.55 0.80 1.67 -0.10 0.00 0.00 174.94 178.14 1q38 n GLN 59 N 3.27 -0.35 0.21 2.79 0.00 -0.92 -2.73 117.38 119.66 1q38 n GLN 59 Ca -0.18 -1.69 0.05 0.00 -0.00 0.00 0.00 57.00 55.18 1q38 n GLN 59 Cb 0.53 -0.68 0.49 0.00 0.00 0.00 0.00 30.24 30.57 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1q38 h GLN 60 N 0.00 0.03 -0.09 3.69 4.20 -1.95 -1.84 115.11 119.16 1q38 h GLN 60 Ca -0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1q38 h GLN 60 Cb 0.84 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1q38 h GLN 60 CO 0.23 0.20 0.00 2.48 -0.67 0.00 0.00 178.83 181.07 1q38 n TYR 61 N -4.32 0.09 0.00 2.96 4.11 -1.26 -5.07 117.16 113.67 1q38 n TYR 61 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 1q38 n TYR 61 Cb 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.58 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1q38 n GLY 62 N 1.20 2.28 1.20 -7.48 0.00 -0.69 -5.13 105.19 96.57 1q38 n GLY 62 Ca 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1q38 n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 63 N 1.78 -3.29 0.13 1.61 -0.00 -1.26 -4.18 115.22 110.01 1q38 n HIS 63 Ca 0.00 1.77 0.00 0.00 -0.00 0.00 0.00 57.72 59.49 1q38 n HIS 63 Cb 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 29.99 27.11 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1q38 n GLN 64 N -1.56 0.00 -3.84 1.57 1.13 0.08 -2.16 117.38 112.59 1q38 n GLN 64 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1q38 n GLN 64 Cb 0.16 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.40 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1q38 s GLU 65 N -1.97 0.31 -0.15 -1.09 2.12 -0.41 -4.91 118.70 112.60 1q38 s GLU 65 Ca 0.00 -0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.28 1q38 s GLU 65 Cb 0.00 0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.57 1q38 s GLU 65 CO 0.00 -0.06 0.01 0.08 -0.54 0.00 0.00 175.26 174.75 1q38 s VAL 66 N -0.52 0.58 -0.06 3.70 1.01 -1.26 0.44 120.40 124.29 1q38 s VAL 66 Ca -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1q38 s VAL 66 Cb -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1q38 s VAL 66 CO 0.01 -0.00 0.02 -0.89 0.00 0.00 0.00 175.10 174.24 1q38 s THR 67 N 1.86 0.21 -0.11 3.92 2.01 -1.03 -5.03 115.64 117.47 1q38 s THR 67 Ca 0.01 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 1q38 s THR 67 Cb -0.15 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1q38 s THR 67 CO -0.07 0.23 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.86 1q38 s ARG 68 N 2.01 3.15 0.05 4.92 0.52 -1.26 -1.59 118.95 126.75 1q38 s ARG 68 Ca 0.05 -0.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 1q38 s ARG 68 Cb -0.12 -2.64 0.05 0.00 0.52 0.00 0.00 34.95 32.76 1q38 s ARG 68 CO -0.04 0.39 0.53 -0.59 0.02 0.00 0.00 175.30 175.61 1q38 s PHE 69 N -0.10 -0.43 -0.26 -0.53 -0.12 -0.64 -5.04 117.98 110.86 1q38 s PHE 69 Ca -0.00 0.48 -0.10 0.00 -0.05 0.00 0.00 56.93 57.25 1q38 s PHE 69 Cb -0.13 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1q38 s PHE 69 CO 0.03 -0.65 0.16 0.16 -0.05 0.00 0.00 175.22 174.87 1q38 s ASP 70 N -1.98 5.93 0.12 1.98 1.47 -1.26 -0.28 116.67 122.65 1q38 s ASP 70 Ca -0.05 0.01 -0.00 0.00 1.18 0.00 0.00 52.55 53.68 1q38 s ASP 70 Cb -0.01 -2.09 -0.04 0.00 -0.34 0.00 0.00 42.92 40.45 1q38 s ASP 70 CO -0.02 -0.00 0.02 0.72 0.68 0.00 0.00 175.17 176.57 1q38 s PHE 71 N 1.46 0.87 -0.01 2.11 -0.12 0.25 -4.91 117.98 117.63 1q38 s PHE 71 Ca 0.07 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.81 1q38 s PHE 71 Cb -0.15 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.74 1q38 s PHE 71 CO 0.08 -0.40 0.01 -0.08 -0.05 0.00 0.00 175.22 174.77 1q38 s THR 72 N -3.91 0.04 0.49 -4.49 -1.32 -1.26 0.03 115.64 105.23 1q38 s THR 72 Ca 0.20 0.08 0.21 0.00 -1.21 0.00 0.00 61.69 60.97 1q38 s THR 72 Cb 0.07 -0.11 0.37 0.00 -1.51 0.00 0.00 72.50 71.32 1q38 s THR 72 CO -0.00 0.07 1.99 0.00 -2.21 0.00 0.00 174.62 174.47 1q38 h THR 73 N 5.77 0.80 -4.48 5.08 1.03 -1.86 -3.45 112.91 115.79 1q38 h THR 73 Ca -0.36 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1q38 h THR 73 Cb 1.16 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 1q38 h THR 73 CO 0.49 0.03 -0.79 0.35 -0.01 0.00 0.00 175.52 175.59 1q38 n THR 74 N -4.43-10.88 -0.61 0.00 -2.24 -1.25 -4.70 114.28 90.17 1q38 n THR 74 Ca 0.09 2.63 -0.04 0.00 -2.27 0.00 0.00 64.05 64.46 1q38 n THR 74 Cb 0.51 -5.03 -0.06 0.00 -2.10 0.00 0.00 70.33 63.65 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q38 n SER 75 N 1.89 4.71 -3.66 3.42 2.88 -1.25 -4.70 113.62 116.91 1q38 n SER 75 Ca 0.00 -2.30 -0.18 0.00 -1.33 0.00 0.00 58.87 55.06 1q38 n SER 75 Cb 0.00 -1.10 -0.17 0.00 -0.75 0.00 0.00 64.21 62.19 1q38 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1q38 s THR 76 N 0.61 -0.20 0.00 2.46 -1.32 -1.26 -4.98 115.64 110.94 1q38 s THR 76 Ca 0.23 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1q38 s THR 76 Cb 0.11 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.84 1q38 s THR 76 CO 0.00 0.13 0.45 -1.20 -2.21 0.00 0.00 174.62 171.79 1q38 n SER 77 N 5.31 0.00 -2.71 8.08 7.64 -1.26 -4.98 113.62 125.70 1q38 n SER 77 Ca -0.04 -1.17 -0.06 0.00 1.01 0.00 0.00 58.87 58.61 1q38 n SER 77 Cb 0.50 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.73 1q38 n SER 77 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1q38 n THR 78 N 0.00 0.00 0.59 0.44 5.66 -1.26 -4.94 114.28 114.77 1q38 n THR 78 Ca 0.00 -1.10 0.01 0.00 -3.05 0.00 0.00 64.05 59.91 1q38 n THR 78 Cb 0.53 1.30 0.09 0.00 -1.55 0.00 0.00 70.33 70.70 1q38 n THR 78 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1q38 n PRO 79 N 1.54 1.83 0.00 1.09 -0.04 -1.26 -4.52 135.00 133.65 1q38 n PRO 79 Ca 0.05 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1q38 n PRO 79 Cb 0.67 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 80 N 0.13 0.30 2.84 0.55 0.00 -1.26 -4.99 105.19 102.76 1q38 n GLY 80 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1q38 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 81 N 0.00 -7.72 0.00 1.61 7.64 -1.26 -4.99 113.62 108.91 1q38 n SER 81 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1q38 n SER 81 Cb 0.00 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 58.61 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1q38 n ARG 82 N 0.68 0.00 0.00 1.43 1.74 -1.26 -4.99 116.66 114.26 1q38 n ARG 82 Ca 0.01 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1q38 n ARG 82 Cb 0.16 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q38 n SER 83 N -1.37 -2.92 -3.73 0.55 7.64 -1.26 -4.64 113.62 107.88 1q38 n SER 83 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1q38 n SER 83 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1q38 n SER 83 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1q38 s HIS 84 N 0.00 1.60 0.31 1.43 -3.43 -1.26 -5.10 115.29 108.84 1q38 s HIS 84 Ca 0.00 -1.60 0.10 0.00 -0.80 0.00 0.00 55.06 52.77 1q38 s HIS 84 Cb 0.00 -1.59 -0.06 0.00 -1.43 0.00 0.00 32.58 29.50 1q38 s HIS 84 CO 0.00 -0.84 -0.11 -1.01 -2.00 0.00 0.00 174.74 170.78 1q38 s HIS 85 N 1.66 2.41 -0.84 0.38 3.76 -1.26 -5.04 115.29 116.35 1q38 s HIS 85 Ca 0.08 -0.40 0.13 0.00 -0.15 0.00 0.00 55.06 54.72 1q38 s HIS 85 Cb -0.17 -1.24 -0.10 0.00 1.11 0.00 0.00 32.58 32.18 1q38 s HIS 85 CO -0.23 0.62 0.63 -2.39 -0.85 0.00 0.00 174.74 172.52 1q38 n HIS 86 N -0.77 0.00 0.03 1.40 1.44 -1.26 -4.74 115.22 111.33 1q38 n HIS 86 Ca -0.05 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.65 1q38 n HIS 86 Cb 0.62 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.72 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1q38 n HIS 87 N -0.93 0.00 -3.53 -1.40 -0.00 -1.26 -4.97 115.22 103.13 1q38 n HIS 87 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.34 1q38 n HIS 87 Cb 0.24 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.99 30.11 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1q38 s HIS 88 N -1.89 3.39 -1.92 1.57 0.09 -1.26 -5.29 115.29 109.97 1q38 s HIS 88 Ca -0.02 -1.73 0.00 0.00 -0.00 0.00 0.00 55.06 53.31 1q38 s HIS 88 Cb 0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 32.58 29.13 1q38 s HIS 88 CO 0.03 -0.97 0.48 -2.39 -0.00 0.00 0.00 174.74 171.89