#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s GLU 2 N 0.00 4.24 0.19 0.03 2.02 -1.26 -4.96 118.70 118.96 1q82 s GLU 2 Ca 0.00 1.86 -0.32 0.00 0.02 0.00 0.00 54.97 56.52 1q82 s GLU 2 Cb 0.00 -2.84 -0.15 0.00 0.10 0.00 0.00 34.13 31.24 1q82 s GLU 2 CO 0.00 -0.17 1.26 0.00 0.02 0.00 0.00 175.26 176.38 1q82 n ALA 3 N 0.42 -0.11 0.22 5.21 0.00 -1.26 -4.85 120.51 120.14 1q82 n ALA 3 Ca 0.02 0.45 0.11 0.00 0.00 0.00 0.00 53.44 54.02 1q82 n ALA 3 Cb 0.46 -2.12 0.42 0.00 0.00 0.00 0.00 19.45 18.21 1q82 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1q82 h LEU 4 N 3.78 0.00 0.77 0.00 3.38 -1.92 -3.47 115.31 117.84 1q82 h LEU 4 Ca -0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 1q82 h LEU 4 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1q82 h LEU 4 CO 0.73 0.19 -0.14 0.61 0.09 0.00 0.00 178.44 179.92 1q82 n GLY 5 N 0.34 0.17 3.61 0.83 0.00 -1.26 -4.69 105.19 104.19 1q82 n GLY 5 Ca 0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1q82 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 s ALA 6 N -2.27 -2.00 -0.07 4.61 0.00 -1.26 -4.44 121.76 116.32 1q82 s ALA 6 Ca 0.00 1.73 -0.19 0.00 0.00 0.00 0.00 51.96 53.50 1q82 s ALA 6 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1q82 s ALA 6 CO 0.00 -0.25 0.53 -0.51 0.00 0.00 0.00 175.76 175.52 1q82 s ASP 7 N -0.52 6.81 0.02 0.00 1.01 -0.35 -4.95 116.67 118.69 1q82 s ASP 7 Ca 0.02 0.96 0.08 0.00 0.71 0.00 0.00 52.55 54.33 1q82 s ASP 7 Cb -0.03 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1q82 s ASP 7 CO -0.04 0.05 -0.24 -0.69 0.21 0.00 0.00 175.17 174.47 1q82 s VAL 8 N 0.24 2.34 -0.52 -1.27 1.01 -1.26 -1.34 120.40 119.60 1q82 s VAL 8 Ca 0.28 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1q82 s VAL 8 Cb -0.16 -1.91 0.14 0.00 0.00 0.00 0.00 36.38 34.44 1q82 s VAL 8 CO 0.13 0.42 0.34 -0.89 0.00 0.00 0.00 175.10 175.10 1q82 s THR 9 N -0.79 3.63 -0.16 3.92 2.01 -1.26 -5.03 115.64 117.96 1q82 s THR 9 Ca 0.12 -2.45 -0.39 0.00 0.31 0.00 0.00 61.69 59.29 1q82 s THR 9 Cb -0.10 -3.41 -0.18 0.00 0.01 0.00 0.00 72.50 68.81 1q82 s THR 9 CO 0.02 -0.79 1.14 0.00 -0.69 0.00 0.00 174.62 174.30 1q82 n GLN 10 N 4.11 0.00 -0.18 4.92 3.00 -1.26 -4.80 117.38 123.17 1q82 n GLN 10 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 1q82 n GLN 10 Cb 0.40 -1.36 0.16 0.00 0.00 0.00 0.00 30.24 29.43 1q82 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q82 n GLY 11 N 2.17 2.58 3.19 1.08 0.00 -1.09 -4.88 105.19 108.24 1q82 n GLY 11 Ca 0.22 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1q82 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q82 s LEU 12 N -1.00 2.46 0.26 0.99 1.43 -0.32 -4.89 118.68 117.60 1q82 s LEU 12 Ca 0.25 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1q82 s LEU 12 Cb 0.13 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 46.02 1q82 s LEU 12 CO 0.17 -0.32 0.06 -1.61 0.23 0.00 0.00 176.35 174.89 1q82 s GLU 13 N -3.24 1.41 0.14 1.70 2.02 -1.26 0.01 118.70 119.47 1q82 s GLU 13 Ca 0.10 -1.75 -0.31 0.00 0.02 0.00 0.00 54.97 53.02 1q82 s GLU 13 Cb 0.00 -0.42 -0.11 0.00 0.10 0.00 0.00 34.13 33.70 1q82 s GLU 13 CO -0.01 -0.23 1.81 1.17 0.02 0.00 0.00 175.26 178.03 1q82 n LYS 14 N -0.47 2.77 0.00 1.61 4.81 -0.54 -1.41 118.16 124.93 1q82 n LYS 14 Ca -0.02 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1q82 n LYS 14 Cb 0.66 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1q82 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q82 n GLY 15 N 4.17 0.24 3.77 3.14 0.00 0.61 -4.97 105.19 112.15 1q82 n GLY 15 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1q82 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q82 s SER 16 N -2.06 6.63 -0.22 1.61 0.01 -0.50 -4.71 113.70 114.46 1q82 s SER 16 Ca 0.00 2.31 -0.09 0.00 1.31 0.00 0.00 55.95 59.48 1q82 s SER 16 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1q82 s SER 16 CO 0.00 -0.60 0.11 -0.76 0.41 0.00 0.00 173.24 172.40 1q82 s LEU 17 N -2.39 3.85 0.36 2.44 1.43 -1.26 -0.84 118.68 122.27 1q82 s LEU 17 Ca 0.56 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1q82 s LEU 17 Cb -0.30 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1q82 s LEU 17 CO 0.38 0.07 0.09 0.27 0.23 0.00 0.00 176.35 177.38 1q82 s ILE 18 N 1.00 0.92 0.20 -0.59 -4.36 0.34 -4.97 121.20 113.74 1q82 s ILE 18 Ca 0.06 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.25 1q82 s ILE 18 Cb -0.14 -2.60 -0.08 0.00 1.25 0.00 0.00 42.46 40.89 1q82 s ILE 18 CO 0.03 0.00 0.70 -0.89 0.24 0.00 0.00 174.94 175.03 1q82 s THR 19 N -3.29 4.59 -0.62 8.37 2.01 -0.08 -1.11 115.64 125.50 1q82 s THR 19 Ca 0.31 1.26 -0.17 0.00 0.31 0.00 0.00 61.69 63.40 1q82 s THR 19 Cb 0.06 -3.87 0.13 0.00 0.01 0.00 0.00 72.50 68.84 1q82 s THR 19 CO 0.15 0.25 0.67 0.00 -0.69 0.00 0.00 174.62 174.99 1q82 n ALA 21 N 5.66 6.02 -3.85 0.00 0.00 0.60 -4.82 120.51 124.13 1q82 n ALA 21 Ca -0.06 -3.93 -0.06 0.00 0.00 0.00 0.00 53.44 49.39 1q82 n ALA 21 Cb 0.43 -3.31 0.03 0.00 0.00 0.00 0.00 19.45 16.59 1q82 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1q82 s ASP 22 N 2.21 0.03 -0.43 0.00 1.47 -1.26 -2.70 116.67 115.99 1q82 s ASP 22 Ca 0.50 -0.97 0.04 0.00 1.18 0.00 0.00 52.55 53.30 1q82 s ASP 22 Cb 0.14 0.70 0.48 0.00 -0.34 0.00 0.00 42.92 43.90 1q82 s ASP 22 CO -0.06 -1.39 1.60 -0.46 0.68 0.00 0.00 175.17 175.53 1q82 n ASN 23 N -1.42 5.19 0.20 2.11 6.94 -0.97 -4.67 115.26 122.64 1q82 n ASN 23 Ca -0.06 -3.77 0.08 0.00 -0.02 0.00 0.00 54.58 50.81 1q82 n ASN 23 Cb 0.60 -0.67 0.29 0.00 -2.36 0.00 0.00 39.78 37.64 1q82 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1q82 h THR 24 N 1.40 0.59 0.00 5.53 1.35 -1.92 -3.44 112.91 116.42 1q82 h THR 24 Ca 0.44 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1q82 h THR 24 Cb 1.42 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1q82 h THR 24 CO 0.98 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 1q82 n GLY 25 N 0.58 0.89 3.46 5.82 0.00 -1.26 -5.02 105.19 109.65 1q82 n GLY 25 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1q82 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 s ALA 26 N -2.00 3.11 -0.23 4.61 0.00 -1.26 -1.07 121.76 124.91 1q82 s ALA 26 Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1q82 s ALA 26 Cb 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 23.12 21.04 1q82 s ALA 26 CO 0.00 -0.28 -0.02 0.54 0.00 0.00 0.00 175.76 176.00 1q82 n ARG 27 N 4.50 0.59 -4.98 0.00 1.74 -0.22 -4.55 116.66 113.75 1q82 n ARG 27 Ca -0.17 0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 57.00 1q82 n ARG 27 Cb 0.52 -1.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.17 1q82 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1q82 s GLU 28 N -2.44 3.16 0.01 5.56 2.12 -1.01 -1.68 118.70 124.43 1q82 s GLU 28 Ca -0.33 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.30 1q82 s GLU 28 Cb 0.10 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.99 1q82 s GLU 28 CO 0.56 0.24 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.82 1q82 s LEU 29 N 0.25 2.50 -0.18 2.70 1.43 -0.27 -0.05 118.68 125.06 1q82 s LEU 29 Ca -0.12 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1q82 s LEU 29 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1q82 s LEU 29 CO 0.06 0.29 -0.05 -0.75 0.23 0.00 0.00 176.35 176.13 1q82 s LYS 30 N -1.13 3.52 0.18 1.70 2.20 0.49 -0.51 119.74 126.19 1q82 s LYS 30 Ca 0.13 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1q82 s LYS 30 Cb -0.10 -2.91 -0.08 0.00 -1.51 0.00 0.00 37.83 33.22 1q82 s LYS 30 CO 0.03 0.07 1.28 0.08 -0.36 0.00 0.00 175.35 176.46 1q82 s VAL 31 N 0.78 3.36 -0.03 4.02 1.01 -0.02 -1.56 120.40 127.96 1q82 s VAL 31 Ca -0.02 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1q82 s VAL 31 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1q82 s VAL 31 CO 0.02 0.15 -0.02 -0.38 0.00 0.00 0.00 175.10 174.87 1q82 n ILE 32 N 2.82 0.21 -3.65 2.22 5.41 -0.28 -0.29 119.36 125.80 1q82 n ILE 32 Ca 0.06 -0.10 -0.10 0.00 1.00 0.00 0.00 62.75 63.61 1q82 n ILE 32 Cb 0.43 -0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 38.59 1q82 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1q82 s SER 33 N -3.99 -0.34 -0.23 4.38 0.01 -1.13 -4.82 113.70 107.58 1q82 s SER 33 Ca -0.04 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1q82 s SER 33 Cb 0.01 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.87 1q82 s SER 33 CO 0.10 -1.04 -0.14 -0.69 0.41 0.00 0.00 173.24 171.88 1q82 s VAL 34 N -3.84 2.11 0.41 3.43 1.01 -1.26 -0.18 120.40 122.08 1q82 s VAL 34 Ca 0.06 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 1q82 s VAL 34 Cb -0.01 -2.10 -0.14 0.00 0.00 0.00 0.00 36.38 34.13 1q82 s VAL 34 CO -0.06 0.19 0.43 1.57 0.00 0.00 0.00 175.10 177.24 1q82 n HIS 35 N 4.51 -0.89 -1.20 5.22 -0.00 0.47 -2.06 115.22 121.28 1q82 n HIS 35 Ca -0.17 0.63 -0.08 0.00 0.46 0.00 0.00 57.72 58.56 1q82 n HIS 35 Cb 0.45 -1.94 -0.04 0.00 -0.12 0.00 0.00 29.99 28.35 1q82 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1q82 n GLY 36 N 1.93 0.78 3.54 1.57 0.00 -1.26 -4.86 105.19 106.89 1q82 n GLY 36 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1q82 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q82 s TYR 37 N -1.65 3.09 -0.06 1.61 5.04 -0.88 -5.09 117.35 119.41 1q82 s TYR 37 Ca 0.00 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 1q82 s TYR 37 Cb 0.00 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1q82 s TYR 37 CO 0.00 0.03 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.57 1q82 s SER 38 N 0.34 1.83 0.00 4.32 1.04 -1.26 -4.88 113.70 115.08 1q82 s SER 38 Ca -0.02 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1q82 s SER 38 Cb -0.14 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.20 1q82 s SER 38 CO 0.02 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1q82 n GLY 39 N 3.68 1.27 3.29 7.32 0.00 -1.26 -5.11 105.19 114.38 1q82 n GLY 39 Ca -0.22 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 1q82 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q82 s THR 40 N 3.45 0.08 0.10 2.61 -1.32 -1.26 -5.07 115.64 114.23 1q82 s THR 40 Ca 0.00 -0.66 -0.33 0.00 -1.21 0.00 0.00 61.69 59.49 1q82 s THR 40 Cb 0.00 -1.12 -0.18 0.00 -1.51 0.00 0.00 72.50 69.69 1q82 s THR 40 CO 0.00 -0.37 0.75 1.17 -2.21 0.00 0.00 174.62 173.97 1q82 n LYS 41 N 0.04 0.00 0.00 7.08 4.81 -1.26 -1.14 118.16 127.69 1q82 n LYS 41 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1q82 n LYS 41 Cb 0.62 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1q82 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q82 n ASN 42 N 1.71 0.00 -4.71 3.14 3.02 -1.26 -4.96 115.26 112.19 1q82 n ASN 42 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 1q82 n ASN 42 Cb 0.16 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1q82 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1q82 s ARG 43 N 0.00 4.53 -0.12 3.52 3.52 -0.30 -5.00 118.95 125.11 1q82 s ARG 43 Ca 0.00 1.55 -0.30 0.00 -0.13 0.00 0.00 55.73 56.86 1q82 s ARG 43 Cb 0.00 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1q82 s ARG 43 CO 0.00 -0.09 1.28 -1.01 -0.81 0.00 0.00 175.30 174.67 1q82 s HIS 44 N 0.86 2.89 -0.06 5.12 3.76 -1.26 -4.56 115.29 122.04 1q82 s HIS 44 Ca 0.54 1.00 -0.38 0.00 -0.15 0.00 0.00 55.06 56.07 1q82 s HIS 44 Cb -0.24 -3.52 -0.16 0.00 1.11 0.00 0.00 32.58 29.77 1q82 s HIS 44 CO 0.29 -1.77 1.55 -0.35 -0.85 0.00 0.00 174.74 173.61 1q82 n PRO 45 N 6.17 1.29 -4.35 8.40 -0.04 -1.26 -4.77 135.00 140.43 1q82 n PRO 45 Ca 0.13 0.47 -0.33 0.00 -0.04 0.00 0.00 63.50 63.73 1q82 n PRO 45 Cb 0.45 -2.15 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 1q82 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1q82 s LYS 46 N 1.93 2.81 0.05 0.54 -2.85 -1.26 -1.47 119.74 119.49 1q82 s LYS 46 Ca 0.90 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 55.33 1q82 s LYS 46 Cb -0.96 -2.68 -0.03 0.00 -2.06 0.00 0.00 37.83 32.10 1q82 s LYS 46 CO 0.54 0.65 -0.07 0.00 0.10 0.00 0.00 175.35 176.56 1q82 s ALA 47 N -1.00 0.60 0.00 0.59 0.00 0.10 -4.96 121.76 117.10 1q82 s ALA 47 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1q82 s ALA 47 Cb -0.11 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1q82 s ALA 47 CO 0.07 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1q82 n GLY 48 N 1.28 3.64 3.58 0.00 0.00 -1.26 -1.18 105.19 111.26 1q82 n GLY 48 Ca -0.22 -1.32 -0.52 0.00 0.00 0.00 0.00 46.02 43.96 1q82 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q82 n LEU 49 N 0.00 1.51 0.00 0.99 4.77 -1.26 -1.69 117.00 121.32 1q82 n LEU 49 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1q82 n LEU 49 Cb 0.00 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1q82 n LEU 49 CO 0.00 -1.15 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 1q82 n GLY 50 N 2.37 0.83 3.87 -0.72 0.00 -0.59 -5.00 105.19 105.95 1q82 n GLY 50 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1q82 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q82 s ASP 51 N -2.69 6.64 -0.27 1.61 1.01 -0.68 -4.89 116.67 117.40 1q82 s ASP 51 Ca 0.00 0.80 -0.13 0.00 0.71 0.00 0.00 52.55 53.94 1q82 s ASP 51 Cb 0.00 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1q82 s ASP 51 CO 0.00 0.12 0.26 -0.75 0.21 0.00 0.00 175.17 175.02 1q82 s LYS 52 N -2.13 3.99 0.17 8.23 2.20 -1.26 -1.94 119.74 129.00 1q82 s LYS 52 Ca 0.36 -0.16 0.10 0.00 -0.36 0.00 0.00 55.97 55.91 1q82 s LYS 52 Cb -0.13 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1q82 s LYS 52 CO 0.19 -0.19 -0.22 0.96 -0.36 0.00 0.00 175.35 175.73 1q82 s ILE 53 N 1.80 2.10 0.14 5.43 -4.36 0.68 -0.39 121.20 126.59 1q82 s ILE 53 Ca 0.11 -1.91 -0.17 0.00 -0.26 0.00 0.00 60.65 58.42 1q82 s ILE 53 Cb -0.16 -1.95 -0.07 0.00 1.25 0.00 0.00 42.46 41.53 1q82 s ILE 53 CO 0.10 -0.15 0.60 -0.89 0.24 0.00 0.00 174.94 174.84 1q82 s THR 54 N -1.65 4.75 0.16 8.37 2.01 0.75 -0.92 115.64 129.10 1q82 s THR 54 Ca 0.17 1.07 -0.02 0.00 0.31 0.00 0.00 61.69 63.21 1q82 s THR 54 Cb -0.08 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1q82 s THR 54 CO 0.08 0.34 0.12 -0.69 -0.69 0.00 0.00 174.62 173.77 1q82 s VAL 55 N -1.36 0.06 0.01 3.82 1.01 0.54 -1.13 120.40 123.36 1q82 s VAL 55 Ca 0.36 -1.87 0.05 0.00 0.00 0.00 0.00 61.98 60.52 1q82 s VAL 55 Cb -0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1q82 s VAL 55 CO 0.20 -0.29 -0.15 -0.94 0.00 0.00 0.00 175.10 173.92 1q82 s SER 56 N -3.07 1.75 -0.48 3.32 1.04 -0.60 -0.37 113.70 115.28 1q82 s SER 56 Ca 0.28 -0.36 -0.28 0.00 0.48 0.00 0.00 55.95 56.07 1q82 s SER 56 Cb 0.07 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1q82 s SER 56 CO 0.05 0.12 1.09 -0.69 0.98 0.00 0.00 173.24 174.79 1q82 s VAL 57 N -0.57 4.26 -0.09 5.02 1.01 -0.90 -0.38 120.40 128.76 1q82 s VAL 57 Ca 0.04 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 62.89 1q82 s VAL 57 Cb -0.07 -4.57 -0.29 0.00 0.00 0.00 0.00 36.38 31.46 1q82 s VAL 57 CO 0.00 -0.98 0.81 0.74 0.00 0.00 0.00 175.10 175.68 1q82 h THR 58 N 6.20 1.58 -3.96 3.92 2.02 -0.80 -1.57 112.91 120.30 1q82 h THR 58 Ca -0.23 -2.45 -0.49 0.00 0.77 0.00 0.00 66.41 64.01 1q82 h THR 58 Cb 1.06 3.23 -0.22 0.00 -1.74 0.00 0.00 68.15 70.48 1q82 h THR 58 CO 1.11 0.67 -0.81 -0.54 0.37 0.00 0.00 175.52 176.32 1q82 s LYS 59 N -2.35 1.00 0.00 6.66 1.02 -1.05 -4.84 119.74 120.18 1q82 s LYS 59 Ca -0.16 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1q82 s LYS 59 Cb -0.00 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 1q82 s LYS 59 CO 0.77 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.87 1q82 n GLY 60 N 1.30 0.63 3.76 -3.33 0.00 -1.26 -1.05 105.19 105.24 1q82 n GLY 60 Ca -0.20 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1q82 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q82 s THR 61 N -3.19 3.12 0.32 2.61 -4.23 -0.23 -4.80 115.64 109.23 1q82 s THR 61 Ca 0.00 1.09 0.08 0.00 -1.18 0.00 0.00 61.69 61.68 1q82 s THR 61 Cb 0.00 -3.69 0.37 0.00 1.34 0.00 0.00 72.50 70.51 1q82 s THR 61 CO 0.00 0.25 1.60 -0.65 -0.54 0.00 0.00 174.62 175.27 1q82 h PRO 62 N 3.86 0.07 0.00 3.99 0.11 -1.95 0.33 132.00 138.41 1q82 h PRO 62 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1q82 h PRO 62 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1q82 h PRO 62 CO 0.68 0.05 -0.26 0.93 -0.21 0.00 0.00 178.00 179.18 1q82 h GLU 63 N 0.07 0.00 0.00 1.05 4.39 -1.97 -3.03 114.58 115.10 1q82 h GLU 63 Ca 0.66 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 60.19 1q82 h GLU 63 Cb 1.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.11 1q82 h GLU 63 CO -0.80 0.26 -1.44 -1.33 -1.16 0.00 0.00 179.01 174.55 1q82 n MET 64 N -3.76 0.62 -1.79 2.33 2.81 0.10 -4.83 117.12 112.61 1q82 n MET 64 Ca -0.01 0.22 -0.37 0.00 -1.81 0.00 0.00 57.70 55.72 1q82 n MET 64 Cb 0.37 -1.80 0.06 0.00 -0.71 0.00 0.00 33.22 31.13 1q82 n MET 64 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1q82 s ARG 65 N -2.91 2.75 0.00 0.03 0.52 -0.53 -2.65 118.95 116.16 1q82 s ARG 65 Ca -0.03 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.26 1q82 s ARG 65 Cb 0.09 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.60 1q82 s ARG 65 CO 0.81 -1.45 0.00 0.54 0.02 0.00 0.00 175.30 175.22 1q82 n ARG 66 N -1.64 0.00 -2.79 3.54 1.74 -0.59 -4.93 116.66 111.98 1q82 n ARG 66 Ca 0.14 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.82 1q82 n ARG 66 Cb 0.47 -4.09 -0.05 0.00 -1.02 0.00 0.00 32.46 27.77 1q82 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1q82 s GLN 67 N -0.77 4.70 -0.49 5.56 -0.21 -1.08 -4.79 119.66 122.58 1q82 s GLN 67 Ca 0.00 1.38 -0.19 0.00 0.02 0.00 0.00 55.36 56.57 1q82 s GLN 67 Cb 0.00 -3.34 0.05 0.00 1.00 0.00 0.00 33.01 30.72 1q82 s GLN 67 CO 0.00 0.33 0.58 0.08 -2.12 0.00 0.00 175.29 174.16 1q82 s VAL 68 N -0.39 4.94 0.28 1.09 1.01 -1.26 -2.12 120.40 123.94 1q82 s VAL 68 Ca 0.43 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1q82 s VAL 68 Cb -0.24 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.91 1q82 s VAL 68 CO 0.29 -0.72 0.06 0.18 0.00 0.00 0.00 175.10 174.91 1q82 n LEU 69 N 6.00 0.00 -4.58 3.92 4.77 0.50 -4.93 117.00 122.68 1q82 n LEU 69 Ca -0.07 -1.67 -0.29 0.00 -0.03 0.00 0.00 56.01 53.94 1q82 n LEU 69 Cb 0.46 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1q82 n LEU 69 CO 0.52 -0.30 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.17 1q82 s GLU 70 N -3.05 2.13 0.20 3.23 2.12 -1.26 -0.33 118.70 121.73 1q82 s GLU 70 Ca 0.05 -1.05 -0.20 0.00 0.36 0.00 0.00 54.97 54.13 1q82 s GLU 70 Cb -0.00 -2.29 0.04 0.00 0.26 0.00 0.00 34.13 32.13 1q82 s GLU 70 CO 0.03 0.50 0.57 0.00 -0.54 0.00 0.00 175.26 175.82 1q82 s ALA 71 N -1.29 -1.17 -0.16 6.30 0.00 -0.10 -0.62 121.76 124.71 1q82 s ALA 71 Ca 0.22 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1q82 s ALA 71 Cb -0.11 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1q82 s ALA 71 CO 0.14 -0.83 -0.21 0.08 0.00 0.00 0.00 175.76 174.95 1q82 s VAL 72 N -3.84 2.11 -0.16 0.00 1.01 -0.72 -0.23 120.40 118.57 1q82 s VAL 72 Ca 0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1q82 s VAL 72 Cb -0.02 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1q82 s VAL 72 CO -0.04 0.54 1.86 -0.69 0.00 0.00 0.00 175.10 176.77 1q82 s VAL 73 N 1.02 3.35 -0.08 2.92 1.01 -0.82 -1.60 120.40 126.20 1q82 s VAL 73 Ca -0.02 0.39 0.19 0.00 0.00 0.00 0.00 61.98 62.54 1q82 s VAL 73 Cb -0.14 -3.36 -0.28 0.00 0.00 0.00 0.00 36.38 32.60 1q82 s VAL 73 CO -0.06 -0.15 0.30 0.52 0.00 0.00 0.00 175.10 175.71 1q82 n VAL 74 N 6.55 0.46 -3.66 2.92 0.31 0.16 -1.54 118.33 123.54 1q82 n VAL 74 Ca 0.22 -0.57 -0.15 0.00 -0.01 0.00 0.00 64.34 63.82 1q82 n VAL 74 Cb 0.44 -0.16 -0.08 0.00 -0.91 0.00 0.00 33.84 33.14 1q82 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1q82 s ARG 75 N -3.04 0.81 0.03 5.55 0.52 -0.83 -3.46 118.95 118.53 1q82 s ARG 75 Ca -0.08 0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.10 1q82 s ARG 75 Cb 0.10 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1q82 s ARG 75 CO 0.80 -0.23 0.20 1.14 0.02 0.00 0.00 175.30 177.23 1q82 s GLN 76 N -1.14 0.67 0.11 3.54 -2.07 -1.18 -0.93 119.66 118.67 1q82 s GLN 76 Ca -0.11 -0.58 -0.09 0.00 -1.82 0.00 0.00 55.36 52.76 1q82 s GLN 76 Cb -0.03 0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 32.03 1q82 s GLN 76 CO 0.06 -0.19 1.28 0.00 -1.32 0.00 0.00 175.29 175.12 1q82 h ARG 77 N 3.57 0.61 -6.91 9.60 3.08 -1.74 -2.29 114.38 120.30 1q82 h ARG 77 Ca -0.32 -0.59 -0.53 0.00 0.07 0.00 0.00 59.98 58.61 1q82 h ARG 77 Cb 1.19 0.15 0.09 0.00 0.08 0.00 0.00 29.97 31.49 1q82 h ARG 77 CO 0.47 1.21 0.75 0.21 -1.07 0.00 0.00 179.97 181.53 1q82 s LYS 78 N -3.45 4.18 0.84 0.04 2.47 -1.26 -4.15 119.74 118.41 1q82 s LYS 78 Ca -0.08 2.47 -0.11 0.00 -1.56 0.00 0.00 55.97 56.68 1q82 s LYS 78 Cb 0.08 -3.00 0.10 0.00 -1.46 0.00 0.00 37.83 33.55 1q82 s LYS 78 CO 0.89 -0.44 1.14 -2.14 0.16 0.00 0.00 175.35 174.96 1q82 s PRO 79 N -1.85 1.60 0.00 4.03 0.02 -1.26 -4.72 135.00 132.81 1q82 s PRO 79 Ca 0.53 1.48 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1q82 s PRO 79 Cb -0.45 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.27 1q82 s PRO 79 CO 0.59 -2.19 -0.01 0.96 -0.33 0.00 0.00 177.00 176.02 1q82 s ILE 80 N -2.59 0.09 -0.17 2.83 -4.36 0.06 -4.08 121.20 112.98 1q82 s ILE 80 Ca 0.67 -0.18 -0.15 0.00 -0.26 0.00 0.00 60.65 60.73 1q82 s ILE 80 Cb -0.22 -0.11 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 1q82 s ILE 80 CO 0.55 -0.05 0.33 -0.60 0.24 0.00 0.00 174.94 175.40 1q82 s ARG 81 N -0.25 4.23 0.21 0.37 3.52 -0.45 -1.06 118.95 125.52 1q82 s ARG 81 Ca -0.02 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 1q82 s ARG 81 Cb -0.02 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 1q82 s ARG 81 CO -0.00 0.14 0.44 1.03 -0.81 0.00 0.00 175.30 176.10 1q82 s ARG 82 N 0.78 3.61 0.40 5.12 0.52 -0.75 -1.21 118.95 127.41 1q82 s ARG 82 Ca 0.17 -0.11 0.30 0.00 -0.52 0.00 0.00 55.73 55.58 1q82 s ARG 82 Cb -0.14 -2.77 1.34 0.00 0.52 0.00 0.00 34.95 33.90 1q82 s ARG 82 CO 0.06 0.37 1.38 -2.30 0.02 0.00 0.00 175.30 174.82 1q82 n PRO 83 N -0.43 -0.03 -0.18 3.54 -0.02 -1.26 0.10 135.00 136.72 1q82 n PRO 83 Ca -0.03 1.10 0.02 0.00 -2.02 0.00 0.00 63.50 62.57 1q82 n PRO 83 Cb 0.53 -2.19 0.10 0.00 -0.02 0.00 0.00 33.50 31.92 1q82 n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1q82 n ASP 84 N -4.41 1.78 0.00 2.55 5.75 -1.26 -4.90 116.55 116.06 1q82 n ASP 84 Ca 0.36 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1q82 n ASP 84 Cb 1.42 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1q82 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q82 n GLY 85 N 0.43 2.69 3.80 6.12 0.00 0.28 -5.01 105.19 113.50 1q82 n GLY 85 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1q82 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s THR 86 N -2.50 3.83 0.18 2.61 2.01 -1.25 -4.76 115.64 115.76 1q82 s THR 86 Ca 0.00 0.93 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1q82 s THR 86 Cb 0.00 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1q82 s THR 86 CO 0.00 -0.46 0.25 -0.13 -0.69 0.00 0.00 174.62 173.59 1q82 s ARG 87 N -3.89 3.25 -0.02 4.92 1.81 -1.26 -1.80 118.95 121.95 1q82 s ARG 87 Ca 0.64 -0.73 -0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1q82 s ARG 87 Cb -0.16 -2.83 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 1q82 s ARG 87 CO 0.33 0.49 0.04 0.08 -0.68 0.00 0.00 175.30 175.56 1q82 s VAL 88 N -1.81 -0.04 0.03 3.52 1.01 -0.23 -4.89 120.40 117.99 1q82 s VAL 88 Ca 0.33 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1q82 s VAL 88 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1q82 s VAL 88 CO 0.27 0.06 0.02 -1.59 0.00 0.00 0.00 175.10 173.86 1q82 s LYS 89 N 0.79 0.50 0.48 2.72 -2.85 -1.26 -0.76 119.74 119.36 1q82 s LYS 89 Ca -0.06 -0.83 0.06 0.00 -1.00 0.00 0.00 55.97 54.14 1q82 s LYS 89 Cb -0.09 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1q82 s LYS 89 CO -0.02 -0.10 0.30 -0.06 0.10 0.00 0.00 175.35 175.56 1q82 s PHE 90 N -2.57 2.14 -0.50 1.78 0.40 -0.86 -5.04 117.98 113.33 1q82 s PHE 90 Ca -0.05 -0.71 0.24 0.00 -0.60 0.00 0.00 56.93 55.81 1q82 s PHE 90 Cb -0.02 -1.95 0.52 0.00 0.51 0.00 0.00 43.02 42.08 1q82 s PHE 90 CO -0.05 -0.15 1.67 1.49 0.70 0.00 0.00 175.22 178.88 1q82 h GLU 91 N 1.06 0.00 0.00 0.44 4.22 -1.93 -3.38 114.58 114.98 1q82 h GLU 91 Ca -0.40 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.99 1q82 h GLU 91 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1q82 h GLU 91 CO 0.63 0.00 0.02 -0.40 -2.18 0.00 0.00 179.01 177.07 1q82 n ASP 92 N -2.87 -0.55 -4.32 1.04 5.75 -1.26 -4.94 116.55 109.40 1q82 n ASP 92 Ca 0.04 -1.53 -0.33 0.00 -0.01 0.00 0.00 54.79 52.96 1q82 n ASP 92 Cb 0.49 0.95 -0.15 0.00 -1.03 0.00 0.00 41.12 41.39 1q82 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1q82 s ASN 93 N -1.64 3.96 0.02 -1.12 0.01 -1.26 -3.08 114.94 111.83 1q82 s ASN 93 Ca 0.07 -0.38 -0.08 0.00 -0.71 0.00 0.00 52.86 51.75 1q82 s ASN 93 Cb -0.01 -1.62 0.00 0.00 0.41 0.00 0.00 41.25 40.03 1q82 s ASN 93 CO 0.05 0.10 0.16 0.00 -1.51 0.00 0.00 177.10 175.90 1q82 s ALA 94 N 0.72 -0.31 0.10 0.60 0.00 -0.11 -0.90 121.76 121.86 1q82 s ALA 94 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1q82 s ALA 94 Cb -0.15 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1q82 s ALA 94 CO 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 175.76 175.46 1q82 s ALA 95 N -2.06 0.90 -0.13 0.00 0.00 0.78 0.39 121.76 121.63 1q82 s ALA 95 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1q82 s ALA 95 Cb -0.04 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1q82 s ALA 95 CO -0.01 -0.33 -0.13 0.08 0.00 0.00 0.00 175.76 175.37 1q82 s VAL 96 N -3.78 1.41 0.36 0.00 1.01 -0.62 -0.29 120.40 118.49 1q82 s VAL 96 Ca 0.14 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 1q82 s VAL 96 Cb 0.07 -1.34 -0.12 0.00 0.00 0.00 0.00 36.38 34.99 1q82 s VAL 96 CO -0.04 0.43 1.39 -0.38 0.00 0.00 0.00 175.10 176.50 1q82 n ILE 97 N 4.69 1.97 -4.38 2.22 5.41 -1.26 -1.75 119.36 126.26 1q82 n ILE 97 Ca -0.16 -0.49 -0.19 0.00 1.00 0.00 0.00 62.75 62.90 1q82 n ILE 97 Cb 0.50 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 37.57 1q82 n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1q82 s VAL 98 N -1.07 0.63 0.00 1.39 0.11 0.21 -2.08 120.40 119.59 1q82 s VAL 98 Ca 0.55 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1q82 s VAL 98 Cb -0.52 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1q82 s VAL 98 CO 0.63 0.00 0.00 -0.90 -3.33 0.00 0.00 175.10 171.50 1q82 n ASP 99 N -0.74 1.41 -0.35 3.54 5.68 -1.05 -4.17 116.55 120.86 1q82 n ASP 99 Ca -0.01 -0.46 0.03 0.00 -0.50 0.00 0.00 54.79 53.86 1q82 n ASP 99 Cb 0.66 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.82 1q82 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1q82 h GLU 100 N 0.00 1.05 -0.02 0.11 5.08 -1.99 -0.58 114.58 118.23 1q82 h GLU 100 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1q82 h GLU 100 Cb 0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1q82 h GLU 100 CO 0.00 0.69 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 1q82 n ASN 101 N -4.56 0.80 -0.71 1.42 3.02 -1.26 -4.91 115.26 109.06 1q82 n ASN 101 Ca 0.15 -1.31 -0.07 0.00 -0.03 0.00 0.00 54.58 53.32 1q82 n ASN 101 Cb 0.22 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1q82 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q82 n GLU 102 N -0.36 -0.55 -3.48 3.52 1.02 -0.23 -5.02 120.64 115.55 1q82 n GLU 102 Ca 0.20 0.53 -0.37 0.00 -0.02 0.00 0.00 57.16 57.51 1q82 n GLU 102 Cb 0.23 -4.39 -0.07 0.00 -0.02 0.00 0.00 31.44 27.19 1q82 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q82 s ASP 103 N -2.78 6.52 0.08 1.62 1.01 -1.26 -4.48 116.67 117.38 1q82 s ASP 103 Ca 0.00 0.62 -0.36 0.00 0.71 0.00 0.00 52.55 53.52 1q82 s ASP 103 Cb 0.00 -2.21 -0.15 0.00 1.01 0.00 0.00 42.92 41.57 1q82 s ASP 103 CO 0.00 0.10 1.51 -0.81 0.21 0.00 0.00 175.17 176.18 1q82 n PRO 104 N 3.43 1.65 0.24 8.23 -0.04 -1.26 -2.52 135.00 144.72 1q82 n PRO 104 Ca -0.11 0.60 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 1q82 n PRO 104 Cb 0.52 -2.31 0.57 0.00 -0.04 0.00 0.00 33.50 32.24 1q82 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1q82 h ARG 105 N 5.66 0.00 0.00 0.54 2.43 -1.71 -3.44 114.38 117.86 1q82 h ARG 105 Ca -0.46 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.54 1q82 h ARG 105 Cb 1.30 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1q82 h ARG 105 CO 0.85 0.10 0.05 0.41 -1.51 0.00 0.00 179.97 179.87 1q82 n GLY 106 N -1.26 0.56 0.06 2.80 0.00 -1.26 -4.95 105.19 101.14 1q82 n GLY 106 Ca -0.03 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 1q82 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q82 n THR 107 N -1.98 0.84 -4.45 2.61 -1.04 -1.26 -5.01 114.28 103.98 1q82 n THR 107 Ca 0.06 -0.51 -0.20 0.00 -2.04 0.00 0.00 64.05 61.36 1q82 n THR 107 Cb 0.22 -0.69 -0.15 0.00 -1.82 0.00 0.00 70.33 67.89 1q82 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1q82 s GLU 108 N -2.29 0.87 -0.28 -2.82 2.02 -1.26 -5.05 118.70 109.89 1q82 s GLU 108 Ca -0.06 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 1q82 s GLU 108 Cb 0.04 -0.85 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 1q82 s GLU 108 CO 0.49 0.23 0.19 -0.51 0.02 0.00 0.00 175.26 175.68 1q82 s LEU 109 N -0.37 4.03 -0.12 1.80 1.43 -1.26 -2.29 118.68 121.90 1q82 s LEU 109 Ca 0.04 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1q82 s LEU 109 Cb -0.05 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1q82 s LEU 109 CO -0.00 -0.06 0.72 -0.54 0.23 0.00 0.00 176.35 176.70 1q82 s LYS 110 N 1.76 4.36 0.00 1.70 1.02 -1.10 -4.49 119.74 122.98 1q82 s LYS 110 Ca 0.07 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.93 1q82 s LYS 110 Cb -0.16 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1q82 s LYS 110 CO 0.11 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 1q82 n GLY 111 N 3.34 -0.75 3.84 -3.33 0.00 -1.26 -4.70 105.19 102.33 1q82 n GLY 111 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1q82 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q82 s PRO 112 N -1.20 2.05 0.00 1.61 0.04 -1.26 -4.37 135.00 131.87 1q82 s PRO 112 Ca 0.00 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.42 1q82 s PRO 112 Cb 0.00 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1q82 s PRO 112 CO 0.00 -1.59 0.03 0.42 0.04 0.00 0.00 177.00 175.90 1q82 s ILE 113 N -3.33 0.07 0.30 0.56 1.01 -0.40 -4.88 121.20 114.52 1q82 s ILE 113 Ca 0.61 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1q82 s ILE 113 Cb -0.13 -0.24 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 1q82 s ILE 113 CO 0.52 -0.30 1.12 0.00 0.00 0.00 0.00 174.94 176.28 1q82 s ALA 114 N -0.93 3.39 0.19 9.38 0.00 -1.23 -1.14 121.76 131.42 1q82 s ALA 114 Ca -0.10 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1q82 s ALA 114 Cb -0.06 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 19.91 1q82 s ALA 114 CO -0.00 -0.23 1.74 0.07 0.00 0.00 0.00 175.76 177.34 1q82 h ARG 115 N 3.65 0.34 -1.33 0.00 0.11 -1.74 -1.66 114.38 113.74 1q82 h ARG 115 Ca -0.47 -0.02 0.39 0.00 0.10 0.00 0.00 59.98 59.98 1q82 h ARG 115 Cb 1.21 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 32.15 1q82 h ARG 115 CO 0.66 0.22 0.93 0.93 0.10 0.00 0.00 179.97 182.82 1q82 h GLU 116 N 0.35 0.07 0.00 0.08 3.07 -1.87 0.51 114.58 116.78 1q82 h GLU 116 Ca 0.25 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1q82 h GLU 116 Cb 0.29 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1q82 h GLU 116 CO -0.27 0.05 -0.08 0.28 -1.40 0.00 0.00 179.01 177.59 1q82 h VAL 117 N 0.07 0.52 0.32 3.13 2.07 -1.63 -2.97 116.25 117.77 1q82 h VAL 117 Ca 0.67 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 1q82 h VAL 117 Cb 2.48 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1q82 h VAL 117 CO -0.10 0.08 -0.15 0.00 0.02 0.00 0.00 177.57 177.41 1q82 h ALA 118 N 1.92 -0.43 0.00 1.67 0.00 -0.11 -1.17 119.26 121.13 1q82 h ALA 118 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q82 h ALA 118 Cb 0.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1q82 h ALA 118 CO 0.01 -0.65 0.00 1.04 0.00 0.00 0.00 179.25 179.65 1q82 n GLN 119 N -5.20 0.00 0.00 0.00 6.02 -1.12 -2.66 117.38 114.42 1q82 n GLN 119 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1q82 n GLN 119 Cb 0.24 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1q82 n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1q82 n ARG 120 N -0.64 0.00 -3.88 -1.09 1.74 -1.09 -4.83 116.66 106.86 1q82 n ARG 120 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1q82 n ARG 120 Cb 0.00 -0.40 -0.13 0.00 -1.02 0.00 0.00 32.46 30.90 1q82 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1q82 s PHE 121 N -1.85 2.95 0.07 -1.55 0.40 -0.46 -4.99 117.98 112.54 1q82 s PHE 121 Ca 0.00 -3.03 -0.31 0.00 -0.60 0.00 0.00 56.93 52.99 1q82 s PHE 121 Cb 0.00 -2.57 -0.15 0.00 0.51 0.00 0.00 43.02 40.80 1q82 s PHE 121 CO 0.00 -0.72 1.49 0.78 0.70 0.00 0.00 175.22 177.46 1q82 h GLY 122 N 6.37 -1.20 0.89 4.36 0.00 -1.82 -0.45 103.07 111.22 1q82 h GLY 122 Ca -0.03 0.54 0.15 0.00 0.00 0.00 0.00 47.33 48.00 1q82 h GLY 122 CO 0.64 -0.37 0.40 1.48 0.00 0.00 0.00 176.54 178.70 1q82 h SER 123 N -0.93 0.00 -0.16 0.19 4.64 -1.93 0.88 113.55 116.25 1q82 h SER 123 Ca -0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 1q82 h SER 123 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1q82 h SER 123 CO -0.02 0.00 -0.34 0.58 -0.87 0.00 0.00 176.83 176.18 1q82 h VAL 124 N 0.00 1.35 0.13 0.95 2.07 -1.68 -3.23 116.25 115.84 1q82 h VAL 124 Ca 0.25 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1q82 h VAL 124 Cb 1.06 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1q82 h VAL 124 CO -0.00 0.48 -0.06 0.00 0.02 0.00 0.00 177.57 178.01 1q82 h ALA 125 N 0.56 -0.18 0.00 1.67 0.00 0.18 -2.53 119.26 118.96 1q82 h ALA 125 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1q82 h ALA 125 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1q82 h ALA 125 CO 0.07 -0.52 0.00 -1.13 0.00 0.00 0.00 179.25 177.68 1q82 n SER 126 N -5.09 0.17 0.00 0.00 3.41 0.25 -0.15 113.62 112.20 1q82 n SER 126 Ca -0.09 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1q82 n SER 126 Cb 0.16 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1q82 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q82 n ALA 127 N -0.06 1.57 -1.80 7.33 0.00 -0.96 -5.01 120.51 121.56 1q82 n ALA 127 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1q82 n ALA 127 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 1q82 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q82 s ALA 128 N -0.11 2.95 -0.16 0.00 0.00 0.78 -4.05 121.76 121.17 1q82 s ALA 128 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1q82 s ALA 128 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 1q82 s ALA 128 CO 0.00 -0.14 -0.11 2.41 0.00 0.00 0.00 175.76 177.93 1q82 n THR 129 N -0.92 1.45 -5.15 0.00 -1.04 -1.26 -4.91 114.28 102.44 1q82 n THR 129 Ca 0.08 0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.93 1q82 n THR 129 Cb 0.53 -2.31 -0.16 0.00 -1.82 0.00 0.00 70.33 66.57 1q82 n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1q82 s MET 130 N -2.30 2.89 -0.29 -2.82 -1.94 -1.26 -5.09 119.30 108.49 1q82 s MET 130 Ca -0.19 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 1q82 s MET 130 Cb 0.03 -2.31 0.09 0.00 2.01 0.00 0.00 34.83 34.65 1q82 s MET 130 CO 0.31 0.28 0.03 0.42 -0.01 0.00 0.00 175.02 176.05 1q82 s ILE 131 N 0.10 1.59 -2.46 2.53 1.01 -1.26 -1.27 121.20 121.44 1q82 s ILE 131 Ca -0.10 -1.67 0.28 0.00 0.00 0.00 0.00 60.65 59.16 1q82 s ILE 131 Cb -0.16 -2.07 0.58 0.00 0.01 0.00 0.00 42.46 40.82 1q82 s ILE 131 CO 0.06 -0.45 1.78 0.52 0.00 0.00 0.00 174.94 176.85