#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 0.00 0.00 3.17 3.00 -1.26 -4.94 116.66 116.63 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1q38 n ARG 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q38 n GLY 3 N 0.00 3.66 3.50 -0.13 0.00 -1.26 -5.13 105.19 105.84 1q38 n GLY 3 Ca 0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 4 N -0.26 4.47 -0.63 1.61 0.01 -1.26 -5.06 113.70 112.58 1q38 s SER 4 Ca 0.00 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.19 1q38 s SER 4 Cb 0.00 -1.36 0.24 0.00 0.21 0.00 0.00 66.02 65.11 1q38 s SER 4 CO 0.00 0.27 0.70 -3.20 0.41 0.00 0.00 173.24 171.42 1q38 n ASN 5 N 2.81 3.39 -1.67 2.44 5.15 -1.26 -5.02 115.26 121.10 1q38 n ASN 5 Ca -0.18 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.45 1q38 n ASN 5 Cb 0.53 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q38 n ALA 6 N 1.03 -2.20 -1.77 5.20 0.00 -1.26 -4.90 120.51 116.61 1q38 n ALA 6 Ca 0.28 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.72 1q38 n ALA 6 Cb 0.41 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q38 s PRO 7 N -1.80 4.27 0.24 0.00 0.04 -1.26 -5.04 135.00 131.45 1q38 s PRO 7 Ca 0.00 2.19 0.10 0.00 0.04 0.00 0.00 61.00 63.34 1q38 s PRO 7 Cb 0.00 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1q38 s PRO 7 CO 0.00 -0.25 -0.12 -0.65 0.04 0.00 0.00 177.00 176.02 1q38 s GLN 8 N -1.90 1.94 0.00 4.56 -0.21 -1.26 -5.14 119.66 117.64 1q38 s GLN 8 Ca 0.51 -1.51 0.00 0.00 0.02 0.00 0.00 55.36 54.38 1q38 s GLN 8 Cb -0.39 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1q38 s GLN 8 CO 0.52 0.37 0.00 -0.35 -2.12 0.00 0.00 175.29 173.71 1q38 n PRO 9 N -0.43 -0.34 0.00 2.91 -0.04 -1.26 -5.02 135.00 130.81 1q38 n PRO 9 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1q38 n PRO 9 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1q38 n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1q38 n SER 10 N -1.47 0.00 -1.31 3.54 3.41 -1.26 -4.94 113.62 111.59 1q38 n SER 10 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1q38 n SER 10 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q38 n HIS 11 N -0.32 -3.37 -2.55 7.33 -0.00 -1.26 -4.81 115.22 110.25 1q38 n HIS 11 Ca 0.00 1.74 -0.36 0.00 -0.00 0.00 0.00 57.72 59.10 1q38 n HIS 11 Cb 0.00 -3.06 -0.04 0.00 -0.00 0.00 0.00 29.99 26.89 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1q38 s ILE 12 N -2.86 3.73 0.22 1.59 1.10 -1.26 -4.94 121.20 118.78 1q38 s ILE 12 Ca 0.00 1.33 -0.07 0.00 -0.51 0.00 0.00 60.65 61.40 1q38 s ILE 12 Cb 0.00 -3.68 0.18 0.00 0.15 0.00 0.00 42.46 39.10 1q38 s ILE 12 CO 0.00 0.01 1.74 -1.28 -2.11 0.00 0.00 174.94 173.30 1q38 h SER 13 N 2.50 0.28 -3.09 4.50 0.87 -1.85 -3.32 113.55 113.44 1q38 h SER 13 Ca -0.48 0.09 0.18 0.00 -1.23 0.00 0.00 61.79 60.35 1q38 h SER 13 Cb 1.21 0.06 -0.28 0.00 -0.44 0.00 0.00 62.40 62.96 1q38 h SER 13 CO 0.62 0.14 0.81 -1.59 -0.53 0.00 0.00 176.83 176.28 1q38 s LYS 14 N -6.06 0.21 0.14 2.24 -2.85 -1.03 -4.71 119.74 107.68 1q38 s LYS 14 Ca -0.13 0.11 0.03 0.00 -1.00 0.00 0.00 55.97 54.98 1q38 s LYS 14 Cb 0.18 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1q38 s LYS 14 CO 0.75 -0.05 0.24 0.71 0.10 0.00 0.00 175.35 177.10 1q38 s TYR 15 N -0.67 3.41 0.08 1.78 2.02 -0.24 -0.95 117.35 122.78 1q38 s TYR 15 Ca 0.06 0.10 0.07 0.00 -0.37 0.00 0.00 57.07 56.93 1q38 s TYR 15 Cb -0.02 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1q38 s TYR 15 CO -0.08 0.52 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.78 1q38 s ILE 16 N -1.71 3.03 -0.21 2.71 -1.16 0.15 -1.66 121.20 122.35 1q38 s ILE 16 Ca 0.34 -1.28 -0.02 0.00 -0.51 0.00 0.00 60.65 59.18 1q38 s ILE 16 Cb -0.11 -2.36 0.06 0.00 0.61 0.00 0.00 42.46 40.66 1q38 s ILE 16 CO 0.27 0.20 0.02 -0.22 -2.81 0.00 0.00 174.94 172.40 1q38 s LEU 17 N -1.88 1.59 -0.13 8.50 2.96 0.41 -1.75 118.68 128.39 1q38 s LEU 17 Ca 0.18 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1q38 s LEU 17 Cb -0.11 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 1q38 s LEU 17 CO 0.09 -0.29 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.51 1q38 s ARG 18 N 1.73 3.15 0.15 1.98 0.52 0.19 -0.54 118.95 126.13 1q38 s ARG 18 Ca -0.02 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 1q38 s ARG 18 Cb -0.18 -2.48 0.06 0.00 0.52 0.00 0.00 34.95 32.87 1q38 s ARG 18 CO -0.08 0.09 0.56 1.67 0.02 0.00 0.00 175.30 177.56 1q38 s TRP 19 N 0.59 -0.47 0.07 -0.53 -2.14 -1.06 0.22 118.94 115.62 1q38 s TRP 19 Ca -0.11 0.24 -0.23 0.00 2.66 0.00 0.00 56.10 58.66 1q38 s TRP 19 Cb -0.16 0.50 0.06 0.00 -3.10 0.00 0.00 33.47 30.76 1q38 s TRP 19 CO 0.03 -0.82 0.55 -0.98 -2.66 0.00 0.00 176.95 173.07 1q38 s ARG 20 N -3.76 1.10 -0.31 3.25 1.04 -0.54 0.13 118.95 119.87 1q38 s ARG 20 Ca 0.01 -0.27 -0.33 0.00 -1.04 0.00 0.00 55.73 54.11 1q38 s ARG 20 Cb -0.00 0.50 -0.09 0.00 -2.04 0.00 0.00 34.95 33.32 1q38 s ARG 20 CO -0.13 -0.42 2.21 -0.35 -0.04 0.00 0.00 175.30 176.58 1q38 n PRO 21 N 0.23 1.37 -0.19 3.89 -0.04 -1.26 -0.76 135.00 138.24 1q38 n PRO 21 Ca -0.18 0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1q38 n PRO 21 Cb 0.61 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 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 13.43 -0.20 0.05 0.54 3.11 -0.78 -3.22 116.57 129.50 1q38 h LYS 22 Ca -0.32 0.01 -0.35 0.00 -2.81 0.00 0.00 60.65 57.19 1q38 h LYS 22 Cb 1.29 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.53 1q38 h LYS 22 CO 1.00 -0.14 -2.00 -1.71 -2.81 0.00 0.00 179.45 173.80 1q38 n ASN 23 N -5.42 2.01 -4.78 4.20 2.85 -1.19 -4.93 115.26 108.00 1q38 n ASN 23 Ca 0.03 0.21 -0.34 0.00 -0.11 0.00 0.00 54.58 54.36 1q38 n ASN 23 Cb 0.35 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1q38 s SER 24 N -6.96 5.78 0.08 1.20 0.15 -1.22 -5.00 113.70 107.73 1q38 s SER 24 Ca -0.29 2.08 -0.27 0.00 0.70 0.00 0.00 55.95 58.18 1q38 s SER 24 Cb 0.08 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1q38 s SER 24 CO 0.65 -1.18 0.84 0.54 1.20 0.00 0.00 173.24 175.29 1q38 s VAL 25 N -1.92 4.61 0.00 4.45 0.11 -1.26 -4.35 120.40 122.04 1q38 s VAL 25 Ca 0.70 1.80 0.00 0.00 -2.93 0.00 0.00 61.98 61.55 1q38 s VAL 25 Cb -0.21 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1q38 s VAL 25 CO 0.28 0.36 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 1q38 n GLY 26 N 2.26 1.24 3.61 6.54 0.00 -1.26 -4.95 105.19 112.62 1q38 n GLY 26 Ca -0.01 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 1.02 2.02 1.02 1.61 1.70 -1.26 -4.95 118.95 120.11 1q38 s ARG 27 Ca 0.00 -1.76 -0.12 0.00 -0.47 0.00 0.00 55.73 53.38 1q38 s ARG 27 Cb 0.00 -1.90 0.20 0.00 -0.57 0.00 0.00 34.95 32.69 1q38 s ARG 27 CO 0.00 0.16 1.08 -1.58 -1.08 0.00 0.00 175.30 173.88 1q38 s TRP 28 N -2.52 1.88 0.14 5.89 0.52 -1.26 -4.40 118.94 119.19 1q38 s TRP 28 Ca 0.34 1.16 0.04 0.00 0.02 0.00 0.00 56.10 57.66 1q38 s TRP 28 Cb -0.00 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.08 1q38 s TRP 28 CO 0.19 -3.09 -0.09 0.15 0.02 0.00 0.00 176.95 174.12 1q38 s LYS 29 N -4.78 1.01 -0.07 4.98 3.01 0.36 -4.84 119.74 119.42 1q38 s LYS 29 Ca 0.66 -1.43 -0.00 0.00 -1.01 0.00 0.00 55.97 54.19 1q38 s LYS 29 Cb -0.21 -0.53 0.03 0.00 -1.01 0.00 0.00 37.83 36.11 1q38 s LYS 29 CO 0.60 0.05 -0.03 -1.21 0.51 0.00 0.00 175.35 175.27 1q38 s GLU 30 N -3.77 0.80 -0.15 1.68 0.41 -1.22 -2.57 118.70 113.88 1q38 s GLU 30 Ca 0.16 -0.02 -0.04 0.00 -0.41 0.00 0.00 54.97 54.66 1q38 s GLU 30 Cb 0.03 -0.99 0.06 0.00 -1.78 0.00 0.00 34.13 31.46 1q38 s GLU 30 CO -0.01 -0.21 0.12 0.00 -0.49 0.00 0.00 175.26 174.67 1q38 s ALA 31 N 1.53 0.19 -0.17 5.21 0.00 0.30 -4.95 121.76 123.85 1q38 s ALA 31 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1q38 s ALA 31 Cb -0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1q38 s ALA 31 CO -0.03 -1.02 0.22 0.99 0.00 0.00 0.00 175.76 175.91 1q38 s THR 32 N 2.20 5.35 -0.22 0.00 2.01 -1.26 -0.44 115.64 123.28 1q38 s THR 32 Ca 0.04 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 1q38 s THR 32 Cb -0.15 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 68.88 1q38 s THR 32 CO -0.08 0.42 0.08 0.27 -0.69 0.00 0.00 174.62 174.62 1q38 s ILE 33 N 0.37 0.24 -0.19 1.82 -4.36 -0.66 -4.93 121.20 113.48 1q38 s ILE 33 Ca 0.13 -0.59 -0.27 0.00 -0.26 0.00 0.00 60.65 59.66 1q38 s ILE 33 Cb -0.12 -0.96 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 1q38 s ILE 33 CO 0.01 -0.41 0.95 -2.16 0.24 0.00 0.00 174.94 173.57 1q38 s PRO 34 N 1.97 4.29 -1.21 0.37 0.04 -1.26 -1.08 135.00 138.12 1q38 s PRO 34 Ca 0.04 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 1q38 s PRO 34 Cb -0.17 -3.60 0.09 0.00 0.04 0.00 0.00 34.50 30.86 1q38 s PRO 34 CO -0.17 -0.47 0.43 0.41 0.04 0.00 0.00 177.00 177.24 1q38 n GLY 35 N 3.38 -0.47 3.21 0.56 0.00 -1.25 -2.82 105.19 107.81 1q38 n GLY 35 Ca 0.08 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.75 -3.01 0.17 1.61 -0.00 -1.26 -4.87 115.22 104.11 1q38 n HIS 36 Ca 0.01 1.23 0.03 0.00 0.46 0.00 0.00 57.72 59.44 1q38 n HIS 36 Cb 0.52 -3.06 0.38 0.00 -0.12 0.00 0.00 29.99 27.71 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 1.71 0.07 -7.79 0.27 8.10 -1.84 -3.47 115.31 112.36 1q38 h LEU 37 Ca -0.28 -0.02 0.18 0.00 0.11 0.00 0.00 57.88 57.87 1q38 h LEU 37 Cb 1.20 -0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 41.34 1q38 h LEU 37 CO 0.24 0.36 0.57 0.21 -4.11 0.00 0.00 178.44 175.70 1q38 s ASN 38 N -6.93 -0.07 -0.57 0.17 2.47 -1.26 -5.11 114.94 103.64 1q38 s ASN 38 Ca -0.04 -0.53 -0.28 0.00 0.42 0.00 0.00 52.86 52.43 1q38 s ASN 38 Cb 0.15 0.47 0.02 0.00 -1.45 0.00 0.00 41.25 40.43 1q38 s ASN 38 CO 0.73 -0.90 1.37 -0.44 -3.72 0.00 0.00 177.10 174.13 1q38 s SER 39 N -3.20 6.19 -0.23 -4.21 0.01 -1.26 -4.98 113.70 106.02 1q38 s SER 39 Ca 0.18 0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 1q38 s SER 39 Cb -0.02 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1q38 s SER 39 CO 0.03 -1.67 -0.09 -0.47 0.41 0.00 0.00 173.24 171.46 1q38 s TYR 40 N 5.85 2.99 -0.00 2.43 5.04 -1.26 -5.11 117.35 127.29 1q38 s TYR 40 Ca 0.50 -1.46 0.07 0.00 -2.44 0.00 0.00 57.07 53.74 1q38 s TYR 40 Cb -0.10 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1q38 s TYR 40 CO 0.25 -0.71 -0.21 -0.08 -1.34 0.00 0.00 175.55 173.46 1q38 s THR 41 N 1.35 2.54 0.01 4.34 -1.32 -1.26 -5.12 115.64 116.18 1q38 s THR 41 Ca 0.02 -1.06 -0.23 0.00 -1.21 0.00 0.00 61.69 59.22 1q38 s THR 41 Cb -0.15 -1.98 -0.05 0.00 -1.51 0.00 0.00 72.50 68.80 1q38 s THR 41 CO -0.06 0.49 0.68 -0.63 -2.21 0.00 0.00 174.62 172.90 1q38 s ILE 42 N -0.75 4.84 -0.44 5.08 1.09 -1.26 -4.99 121.20 124.77 1q38 s ILE 42 Ca 0.12 1.44 0.09 0.00 -1.10 0.00 0.00 60.65 61.19 1q38 s ILE 42 Cb -0.10 -4.03 0.40 0.00 -1.06 0.00 0.00 42.46 37.67 1q38 s ILE 42 CO 0.01 0.38 1.00 2.29 -0.10 0.00 0.00 174.94 178.52 1q38 n LYS 43 N 2.86 2.63 -0.03 2.79 0.00 -1.26 -4.75 118.16 120.39 1q38 n LYS 43 Ca -0.04 -4.20 0.04 0.00 -0.00 0.00 0.00 58.31 54.11 1q38 n LYS 43 Cb 0.51 -1.97 0.05 0.00 -0.00 0.00 0.00 35.03 33.62 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q38 n GLY 44 N -0.25 0.24 3.51 2.58 0.00 -1.26 -4.97 105.19 105.03 1q38 n GLY 44 Ca 0.29 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1q38 n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1q38 s LEU 45 N -0.74 3.31 0.31 0.99 0.05 -1.26 -5.08 118.68 116.27 1q38 s LEU 45 Ca 0.11 -0.11 0.08 0.00 0.05 0.00 0.00 54.13 54.26 1q38 s LEU 45 Cb 0.07 -1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 42.36 1q38 s LEU 45 CO 0.10 0.16 0.11 -0.54 -0.55 0.00 0.00 176.35 175.63 1q38 s LYS 46 N 0.43 2.39 -0.82 1.48 1.02 -1.26 -4.68 119.74 118.30 1q38 s LYS 46 Ca -0.03 -1.48 -0.23 0.00 0.02 0.00 0.00 55.97 54.26 1q38 s LYS 46 Cb -0.14 -2.20 -0.19 0.00 -0.52 0.00 0.00 37.83 34.78 1q38 s LYS 46 CO 0.03 0.20 2.43 -0.35 -0.92 0.00 0.00 175.35 176.73 1q38 n PRO 47 N -1.08 0.40 0.00 -1.68 -0.04 -1.26 -0.42 135.00 130.91 1q38 n PRO 47 Ca -0.04 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1q38 n PRO 47 Cb 0.60 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 48 N 6.21 0.53 3.28 0.55 0.00 -1.26 -5.02 105.19 109.46 1q38 n GLY 48 Ca 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 1q38 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q38 s VAL 49 N -0.78 1.97 -0.09 1.61 1.01 0.44 -5.02 120.40 119.54 1q38 s VAL 49 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1q38 s VAL 49 Cb 0.00 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1q38 s VAL 49 CO 0.00 0.56 -0.15 0.54 0.00 0.00 0.00 175.10 176.04 1q38 s VAL 50 N -0.42 2.88 -0.12 2.92 0.11 -1.26 -4.45 120.40 120.06 1q38 s VAL 50 Ca 0.05 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1q38 s VAL 50 Cb -0.11 -2.16 -0.01 0.00 -1.53 0.00 0.00 36.38 32.57 1q38 s VAL 50 CO 0.01 0.55 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.85 1q38 s TYR 51 N -0.07 2.71 -0.12 1.54 1.51 0.30 -0.11 117.35 123.11 1q38 s TYR 51 Ca -0.03 -0.80 -0.22 0.00 -1.01 0.00 0.00 57.07 55.01 1q38 s TYR 51 Cb -0.14 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1q38 s TYR 51 CO 0.04 -0.29 0.64 -2.00 -1.11 0.00 0.00 175.55 172.83 1q38 s GLU 52 N 0.34 4.35 0.20 -0.62 2.12 0.06 0.50 118.70 125.65 1q38 s GLU 52 Ca -0.14 0.73 0.10 0.00 0.36 0.00 0.00 54.97 56.02 1q38 s GLU 52 Cb -0.17 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1q38 s GLU 52 CO 0.07 -0.02 -0.16 0.20 -0.54 0.00 0.00 175.26 174.81 1q38 s GLY 53 N 0.89 1.73 -0.16 -1.50 0.00 0.19 -1.46 107.32 107.02 1q38 s GLY 53 Ca 0.33 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1q38 s GLY 53 CO 0.14 -1.62 -0.01 1.62 0.00 0.00 0.00 173.10 173.22 1q38 s GLN 54 N -2.89 0.99 -0.43 2.90 0.74 0.61 -1.41 119.66 120.18 1q38 s GLN 54 Ca 0.24 -0.36 -0.12 0.00 0.05 0.00 0.00 55.36 55.17 1q38 s GLN 54 Cb -0.08 -1.82 0.06 0.00 1.10 0.00 0.00 33.01 32.27 1q38 s GLN 54 CO 0.13 -0.48 0.30 -0.51 -0.55 0.00 0.00 175.29 174.19 1q38 s LEU 55 N 1.78 5.21 -0.17 3.68 1.43 0.12 -0.63 118.68 130.09 1q38 s LEU 55 Ca 0.01 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1q38 s LEU 55 Cb -0.15 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1q38 s LEU 55 CO -0.07 -0.53 -0.15 -0.63 0.23 0.00 0.00 176.35 175.19 1q38 s ILE 56 N 1.56 2.54 0.10 -0.59 1.01 -0.72 -1.03 121.20 124.06 1q38 s ILE 56 Ca 0.03 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1q38 s ILE 56 Cb -0.22 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1q38 s ILE 56 CO 0.06 0.51 0.91 -0.44 0.00 0.00 0.00 174.94 175.98 1q38 s SER 57 N 1.09 7.43 -0.09 3.58 0.01 0.15 0.30 113.70 126.16 1q38 s SER 57 Ca -0.00 1.71 0.04 0.00 1.31 0.00 0.00 55.95 59.01 1q38 s SER 57 Cb -0.14 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1q38 s SER 57 CO -0.05 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 172.69 1q38 s ILE 58 N -0.04 2.03 0.19 1.44 1.09 -0.12 -2.09 121.20 123.69 1q38 s ILE 58 Ca 0.45 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.00 1q38 s ILE 58 Cb -0.23 -1.75 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1q38 s ILE 58 CO 0.28 0.56 0.04 0.00 -0.10 0.00 0.00 174.94 175.71 1q38 n GLN 59 N 3.45 1.08 0.00 2.79 1.13 -1.26 -2.47 117.38 122.10 1q38 n GLN 59 Ca -0.19 -1.50 0.06 0.00 -1.94 0.00 0.00 57.00 53.44 1q38 n GLN 59 Cb 0.53 0.63 0.32 0.00 0.11 0.00 0.00 30.24 31.83 1q38 n GLN 59 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1q38 n GLN 60 N -0.45 0.15 0.00 -1.09 6.02 -1.26 -1.80 117.38 118.95 1q38 n GLN 60 Ca -0.05 0.19 0.09 0.00 -0.01 0.00 0.00 57.00 57.22 1q38 n GLN 60 Cb 0.26 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.02 1q38 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1q38 n TYR 61 N -1.33 0.00 -0.57 1.08 4.01 -1.26 -5.00 117.16 114.10 1q38 n TYR 61 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 1q38 n TYR 61 Cb 0.11 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q38 n GLY 62 N 1.28 -2.79 5.22 2.72 0.00 -0.74 -4.78 105.19 106.08 1q38 n GLY 62 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.98 0.00 0.00 1.61 -0.00 -1.26 -4.70 115.22 107.89 1q38 n HIS 63 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1q38 n HIS 63 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 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 0.00 0.00 -4.48 1.57 3.00 -1.25 -4.42 117.38 111.79 1q38 n GLN 64 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1q38 n GLN 64 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.10 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1q38 s GLU 65 N 0.00 1.08 -0.06 -1.09 2.12 -0.89 -4.95 118.70 114.91 1q38 s GLU 65 Ca 0.00 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1q38 s GLU 65 Cb 0.00 -1.10 0.02 0.00 0.26 0.00 0.00 34.13 33.31 1q38 s GLU 65 CO 0.00 0.28 -0.04 0.08 -0.54 0.00 0.00 175.26 175.04 1q38 s VAL 66 N -0.72 0.60 -0.05 3.70 1.01 -1.26 0.32 120.40 123.99 1q38 s VAL 66 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1q38 s VAL 66 Cb -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1q38 s VAL 66 CO 0.01 0.26 0.01 -0.89 0.00 0.00 0.00 175.10 174.49 1q38 s THR 67 N 1.23 0.22 -0.18 3.92 2.01 -0.20 -4.99 115.64 117.65 1q38 s THR 67 Ca -0.06 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1q38 s THR 67 Cb -0.14 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1q38 s THR 67 CO -0.02 0.20 -0.06 0.00 -0.69 0.00 0.00 174.62 174.05 1q38 s ARG 68 N 1.57 3.47 -0.24 4.92 1.70 -1.26 -0.71 118.95 128.40 1q38 s ARG 68 Ca -0.02 -0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 1q38 s ARG 68 Cb -0.13 -2.88 0.08 0.00 -0.57 0.00 0.00 34.95 31.45 1q38 s ARG 68 CO -0.03 0.04 0.56 -0.59 -1.08 0.00 0.00 175.30 174.20 1q38 s PHE 69 N 0.85 -0.93 -0.12 5.89 -0.71 -0.50 -5.04 117.98 117.43 1q38 s PHE 69 Ca -0.02 1.82 -0.14 0.00 -1.04 0.00 0.00 56.93 57.56 1q38 s PHE 69 Cb -0.15 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 1q38 s PHE 69 CO 0.01 -0.48 0.32 0.16 -1.34 0.00 0.00 175.22 173.89 1q38 s ASP 70 N 1.87 6.53 0.11 1.98 1.47 -1.26 -0.64 116.67 126.73 1q38 s ASP 70 Ca -0.08 0.63 -0.02 0.00 1.18 0.00 0.00 52.55 54.26 1q38 s ASP 70 Cb -0.08 -2.19 -0.04 0.00 -0.34 0.00 0.00 42.92 40.27 1q38 s ASP 70 CO -0.17 0.17 0.06 0.72 0.68 0.00 0.00 175.17 176.63 1q38 s PHE 71 N -0.02 0.70 -0.12 2.11 -0.71 0.18 -4.89 117.98 115.23 1q38 s PHE 71 Ca 0.19 -1.12 -0.08 0.00 -1.04 0.00 0.00 56.93 54.88 1q38 s PHE 71 Cb -0.14 -0.40 0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1q38 s PHE 71 CO 0.07 -0.50 0.30 -0.08 -1.34 0.00 0.00 175.22 173.66 1q38 s THR 72 N -4.00 -0.02 -0.22 -4.49 -1.32 -1.26 -0.54 115.64 103.79 1q38 s THR 72 Ca 0.18 0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1q38 s THR 72 Cb 0.07 -0.44 0.11 0.00 -1.51 0.00 0.00 72.50 70.73 1q38 s THR 72 CO -0.02 0.04 1.07 1.07 -2.21 0.00 0.00 174.62 174.56 1q38 n THR 73 N 3.82 1.19 0.00 5.08 5.66 -1.26 -3.82 114.28 124.95 1q38 n THR 73 Ca -0.21 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 1q38 n THR 73 Cb 0.55 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1q38 n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1q38 n THR 74 N 0.21 0.00 0.07 1.09 5.66 -1.26 -4.89 114.28 115.15 1q38 n THR 74 Ca 0.09 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1q38 n THR 74 Cb 0.64 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.40 1q38 n THR 74 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1q38 h SER 75 N 0.00 -0.22 -5.85 1.09 0.87 -1.81 -3.46 113.55 104.17 1q38 h SER 75 Ca 0.00 0.01 -0.43 0.00 -1.23 0.00 0.00 61.79 60.14 1q38 h SER 75 Cb 0.00 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 61.93 1q38 h SER 75 CO 0.00 -0.12 -0.66 0.35 -0.53 0.00 0.00 176.83 175.87 1q38 n THR 76 N -2.72 -1.25 -5.00 2.23 -2.24 -1.25 -4.61 114.28 99.44 1q38 n THR 76 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1q38 n THR 76 Cb 0.08 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1q38 n SER 77 N -2.48 -3.14 -4.39 3.42 7.64 -1.26 -4.87 113.62 108.53 1q38 n SER 77 Ca 0.01 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.51 1q38 n SER 77 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.10 -0.58 -1.77 0.44 5.66 -1.26 -4.85 114.28 111.83 1q38 n THR 78 Ca 0.00 -0.07 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 1q38 n THR 78 Cb 0.00 -1.05 0.05 0.00 -1.55 0.00 0.00 70.33 67.78 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 -4.24 2.74 -3.43 1.09 -0.04 -1.26 -4.99 135.00 124.87 1q38 n PRO 79 Ca 0.04 -3.47 -0.36 0.00 -0.04 0.00 0.00 63.50 59.67 1q38 n PRO 79 Cb 0.50 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 1q38 n PRO 79 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1q38 s GLY 80 N -1.32 2.47 -0.39 0.55 0.00 -1.26 -5.05 107.32 102.31 1q38 s GLY 80 Ca 0.55 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.14 1q38 s GLY 80 CO -0.30 0.12 0.50 -0.56 0.00 0.00 0.00 173.10 172.86 1q38 s SER 81 N -1.47 -0.12 -0.93 1.64 0.01 -1.26 -5.06 113.70 106.51 1q38 s SER 81 Ca 0.32 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 1q38 s SER 81 Cb -0.16 1.21 0.29 0.00 0.21 0.00 0.00 66.02 67.57 1q38 s SER 81 CO 0.17 -0.21 1.22 -1.14 0.41 0.00 0.00 173.24 173.70 1q38 n ARG 82 N 4.24 3.79 -3.27 12.44 0.63 -1.26 -4.92 116.66 128.31 1q38 n ARG 82 Ca 0.12 -4.59 0.03 0.00 -0.92 0.00 0.00 57.85 52.49 1q38 n ARG 82 Cb 0.51 -2.43 -0.02 0.00 0.45 0.00 0.00 32.46 30.97 1q38 n ARG 82 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1q38 s SER 83 N -1.92 -0.93 0.00 6.15 0.15 -1.26 -5.08 113.70 110.80 1q38 s SER 83 Ca 0.34 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1q38 s SER 83 Cb 0.08 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1q38 s SER 83 CO 0.06 -0.18 0.00 1.41 1.20 0.00 0.00 173.24 175.73 1q38 n HIS 84 N 5.36 0.00 0.01 3.44 8.25 -1.26 -5.07 115.22 125.94 1q38 n HIS 84 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1q38 n HIS 84 Cb 0.52 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 85 N -2.46 -0.02 -1.71 4.41 8.25 -1.26 -5.06 115.22 117.38 1q38 n HIS 85 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1q38 n HIS 85 Cb 0.00 0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 86 N -2.62 2.35 -0.01 4.41 -0.00 -1.26 -4.92 115.22 113.17 1q38 n HIS 86 Ca 0.00 0.53 -0.00 0.00 -0.00 0.00 0.00 57.72 58.25 1q38 n HIS 86 Cb 0.00 -2.43 -0.03 0.00 -0.00 0.00 0.00 29.99 27.52 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1q38 n HIS 87 N 0.46 0.00 -3.32 4.41 -0.00 -1.26 -4.87 115.22 110.64 1q38 n HIS 87 Ca 0.05 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.30 1q38 n HIS 87 Cb 0.36 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.99 30.16 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q38 s HIS 88 N -2.18 3.85 -1.45 1.57 5.65 -1.26 -5.19 115.29 116.27 1q38 s HIS 88 Ca -0.02 -2.12 0.12 0.00 0.25 0.00 0.00 55.06 53.29 1q38 s HIS 88 Cb 0.02 -3.84 0.09 0.00 -1.18 0.00 0.00 32.58 27.67 1q38 s HIS 88 CO 0.18 -1.00 0.87 -2.39 -0.65 0.00 0.00 174.74 171.75