#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s GLU 2 N 0.00 4.44 0.24 0.03 2.02 -1.26 -4.98 118.70 119.19 1m90 s GLU 2 Ca 0.00 1.33 -0.31 0.00 0.02 0.00 0.00 54.97 56.01 1m90 s GLU 2 Cb 0.00 -2.65 -0.13 0.00 0.10 0.00 0.00 34.13 31.46 1m90 s GLU 2 CO 0.00 0.14 1.51 0.00 0.02 0.00 0.00 175.26 176.93 1m90 n ALA 3 N 0.23 1.65 0.13 5.21 0.00 -1.26 -4.86 120.51 121.61 1m90 n ALA 3 Ca 0.03 0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.88 1m90 n ALA 3 Cb 0.51 -2.35 0.27 0.00 0.00 0.00 0.00 19.45 17.87 1m90 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1m90 h LEU 4 N 4.86 0.13 -0.52 0.00 3.38 -1.93 -3.47 115.31 117.76 1m90 h LEU 4 Ca -0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1m90 h LEU 4 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1m90 h LEU 4 CO 0.81 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.48 1m90 n GLY 5 N -0.24 0.76 3.65 0.83 0.00 -1.26 -4.74 105.19 104.19 1m90 n GLY 5 Ca -0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1m90 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 s ALA 6 N -2.52 -2.18 -0.02 4.61 0.00 -1.26 -4.42 121.76 115.97 1m90 s ALA 6 Ca 0.00 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.51 1m90 s ALA 6 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1m90 s ALA 6 CO 0.00 -0.15 0.59 -0.51 0.00 0.00 0.00 175.76 175.69 1m90 s ASP 7 N -0.34 6.95 -0.04 0.00 1.01 -0.00 -4.92 116.67 119.33 1m90 s ASP 7 Ca 0.08 1.14 0.07 0.00 0.71 0.00 0.00 52.55 54.54 1m90 s ASP 7 Cb -0.04 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1m90 s ASP 7 CO -0.13 0.08 -0.25 -0.69 0.21 0.00 0.00 175.17 174.39 1m90 s VAL 8 N -0.05 2.01 -0.54 -1.27 1.01 -1.26 -1.09 120.40 119.21 1m90 s VAL 8 Ca 0.31 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1m90 s VAL 8 Cb -0.18 -1.68 0.14 0.00 0.00 0.00 0.00 36.38 34.66 1m90 s VAL 8 CO 0.17 0.56 0.43 -0.89 0.00 0.00 0.00 175.10 175.37 1m90 s THR 9 N -0.41 4.51 0.00 3.92 2.01 -1.26 -5.03 115.64 119.39 1m90 s THR 9 Ca 0.04 -1.92 -0.38 0.00 0.31 0.00 0.00 61.69 59.74 1m90 s THR 9 Cb -0.11 -3.93 -0.17 0.00 0.01 0.00 0.00 72.50 68.29 1m90 s THR 9 CO 0.01 -0.83 1.33 0.00 -0.69 0.00 0.00 174.62 174.44 1m90 n GLN 10 N 4.73 0.85 -0.19 4.92 3.00 -1.26 -4.81 117.38 124.61 1m90 n GLN 10 Ca -0.05 0.31 0.06 0.00 -0.01 0.00 0.00 57.00 57.31 1m90 n GLN 10 Cb 0.41 -1.92 0.17 0.00 0.00 0.00 0.00 30.24 28.90 1m90 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m90 n GLY 11 N 2.53 2.56 3.31 1.08 0.00 -1.14 -4.88 105.19 108.65 1m90 n GLY 11 Ca 0.20 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1m90 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m90 s LEU 12 N -1.00 2.45 0.26 0.99 1.43 -0.04 -4.90 118.68 117.87 1m90 s LEU 12 Ca 0.26 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1m90 s LEU 12 Cb 0.14 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1m90 s LEU 12 CO 0.18 -0.34 0.13 -1.61 0.23 0.00 0.00 176.35 174.94 1m90 s GLU 13 N -3.75 1.44 0.18 1.70 2.02 -1.26 -1.05 118.70 117.97 1m90 s GLU 13 Ca 0.22 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.10 1m90 s GLU 13 Cb 0.03 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.09 1m90 s GLU 13 CO 0.05 -0.38 1.53 0.21 0.02 0.00 0.00 175.26 176.69 1m90 s LYS 14 N -3.97 4.23 0.00 1.61 2.20 -0.58 -1.80 119.74 121.43 1m90 s LYS 14 Ca 0.37 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 1m90 s LYS 14 Cb 0.06 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1m90 s LYS 14 CO 0.15 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1m90 n GLY 15 N 3.41 0.95 3.77 5.54 0.00 0.15 -4.97 105.19 114.03 1m90 n GLY 15 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1m90 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m90 s SER 16 N -1.73 6.21 -0.32 1.61 0.01 -0.75 -4.68 113.70 114.06 1m90 s SER 16 Ca 0.00 2.45 -0.10 0.00 1.31 0.00 0.00 55.95 59.61 1m90 s SER 16 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1m90 s SER 16 CO 0.00 -0.90 0.17 -0.76 0.41 0.00 0.00 173.24 172.17 1m90 s LEU 17 N -2.77 4.21 0.36 2.44 1.43 -1.26 -1.40 118.68 121.68 1m90 s LEU 17 Ca 0.61 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1m90 s LEU 17 Cb -0.33 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1m90 s LEU 17 CO 0.41 -0.20 0.02 0.27 0.23 0.00 0.00 176.35 177.08 1m90 s ILE 18 N 1.64 1.62 0.28 -0.59 -4.36 0.15 -4.96 121.20 114.98 1m90 s ILE 18 Ca 0.05 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.19 1m90 s ILE 18 Cb -0.17 -2.85 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 1m90 s ILE 18 CO 0.07 -0.04 0.85 -0.89 0.24 0.00 0.00 174.94 175.17 1m90 s THR 19 N -2.99 4.37 -0.54 8.37 2.01 -0.25 -0.61 115.64 126.00 1m90 s THR 19 Ca 0.35 1.59 -0.17 0.00 0.31 0.00 0.00 61.69 63.77 1m90 s THR 19 Cb 0.09 -3.95 0.11 0.00 0.01 0.00 0.00 72.50 68.76 1m90 s THR 19 CO 0.16 0.18 0.54 0.00 -0.69 0.00 0.00 174.62 174.81 1m90 n ALA 21 N 5.54 6.39 -3.89 0.00 0.00 -0.28 -4.83 120.51 123.44 1m90 n ALA 21 Ca -0.12 -3.77 -0.02 0.00 0.00 0.00 0.00 53.44 49.52 1m90 n ALA 21 Cb 0.41 -3.42 0.02 0.00 0.00 0.00 0.00 19.45 16.46 1m90 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1m90 s ASP 22 N 2.58 0.00 -0.49 0.00 1.47 -1.26 -2.66 116.67 116.32 1m90 s ASP 22 Ca 0.56 -0.61 0.02 0.00 1.18 0.00 0.00 52.55 53.70 1m90 s ASP 22 Cb 0.16 0.46 0.46 0.00 -0.34 0.00 0.00 42.92 43.66 1m90 s ASP 22 CO -0.07 -0.91 1.66 -0.46 0.68 0.00 0.00 175.17 176.07 1m90 n ASN 23 N -1.19 6.21 0.24 2.11 6.94 -0.92 -4.66 115.26 123.99 1m90 n ASN 23 Ca -0.02 -3.77 0.14 0.00 -0.02 0.00 0.00 54.58 50.91 1m90 n ASN 23 Cb 0.59 -0.70 0.40 0.00 -2.36 0.00 0.00 39.78 37.72 1m90 n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1m90 h THR 24 N 1.48 0.00 0.00 5.53 1.35 -1.92 -3.45 112.91 115.91 1m90 h THR 24 Ca 0.49 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1m90 h THR 24 Cb 1.20 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1m90 h THR 24 CO 1.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 1m90 n GLY 25 N 0.64 0.80 3.63 5.82 0.00 -1.26 -5.00 105.19 109.82 1m90 n GLY 25 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1m90 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 s ALA 26 N -2.00 3.57 -0.19 4.61 0.00 -1.26 -0.84 121.76 125.65 1m90 s ALA 26 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 1m90 s ALA 26 Cb 0.00 -2.56 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 1m90 s ALA 26 CO 0.00 -0.46 -0.14 0.54 0.00 0.00 0.00 175.76 175.71 1m90 n ARG 27 N 4.86 0.52 -4.57 0.00 1.74 0.16 -4.57 116.66 114.79 1m90 n ARG 27 Ca -0.11 0.44 -0.34 0.00 -0.77 0.00 0.00 57.85 57.07 1m90 n ARG 27 Cb 0.51 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1m90 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1m90 s GLU 28 N -2.44 2.92 0.02 5.56 2.12 -1.02 -1.08 118.70 124.78 1m90 s GLU 28 Ca -0.25 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1m90 s GLU 28 Cb 0.05 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1m90 s GLU 28 CO 0.39 0.60 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.95 1m90 s LEU 29 N -0.62 2.12 -0.21 2.70 1.43 0.22 -1.37 118.68 122.95 1m90 s LEU 29 Ca 0.09 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1m90 s LEU 29 Cb -0.12 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 1m90 s LEU 29 CO 0.02 0.26 -0.06 -0.75 0.23 0.00 0.00 176.35 176.05 1m90 s LYS 30 N -1.00 3.33 0.17 1.70 2.20 0.17 -0.67 119.74 125.64 1m90 s LYS 30 Ca 0.10 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 1m90 s LYS 30 Cb -0.10 -2.95 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1m90 s LYS 30 CO 0.01 -0.20 1.44 0.08 -0.36 0.00 0.00 175.35 176.33 1m90 s VAL 31 N 1.44 2.92 -0.06 4.02 1.01 -0.49 -1.38 120.40 127.87 1m90 s VAL 31 Ca 0.06 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1m90 s VAL 31 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1m90 s VAL 31 CO -0.05 0.08 -0.04 -0.38 0.00 0.00 0.00 175.10 174.71 1m90 n ILE 32 N 3.37 0.36 -3.58 2.22 5.41 -0.66 0.33 119.36 126.81 1m90 n ILE 32 Ca 0.10 -0.15 -0.11 0.00 1.00 0.00 0.00 62.75 63.59 1m90 n ILE 32 Cb 0.41 -0.75 -0.03 0.00 -0.71 0.00 0.00 39.64 38.55 1m90 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1m90 s SER 33 N -4.41 -0.36 -0.23 4.38 0.01 -1.17 -4.81 113.70 107.12 1m90 s SER 33 Ca -0.07 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 1m90 s SER 33 Cb 0.02 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.81 1m90 s SER 33 CO 0.16 -0.94 -0.09 -0.69 0.41 0.00 0.00 173.24 172.08 1m90 s VAL 34 N -3.80 2.72 0.14 3.43 1.01 -1.26 -0.26 120.40 122.38 1m90 s VAL 34 Ca 0.03 -0.96 -0.34 0.00 0.00 0.00 0.00 61.98 60.71 1m90 s VAL 34 Cb 0.00 -2.32 -0.16 0.00 0.00 0.00 0.00 36.38 33.90 1m90 s VAL 34 CO -0.10 0.30 1.29 1.57 0.00 0.00 0.00 175.10 178.16 1m90 n HIS 35 N 4.66 1.55 -1.09 5.22 -0.00 0.37 -2.04 115.22 123.90 1m90 n HIS 35 Ca -0.18 0.60 -0.03 0.00 0.46 0.00 0.00 57.72 58.57 1m90 n HIS 35 Cb 0.48 -2.34 -0.01 0.00 -0.12 0.00 0.00 29.99 28.00 1m90 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1m90 n GLY 36 N 2.36 0.45 3.75 1.57 0.00 -1.26 -4.81 105.19 107.24 1m90 n GLY 36 Ca 0.16 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1m90 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1m90 s TYR 37 N -1.58 3.33 -0.05 1.61 5.04 -0.86 -5.09 117.35 119.75 1m90 s TYR 37 Ca 0.00 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1m90 s TYR 37 Cb 0.00 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.45 1m90 s TYR 37 CO 0.00 0.53 -0.02 -1.54 -1.34 0.00 0.00 175.55 173.18 1m90 s SER 38 N -0.78 1.11 0.00 4.32 1.04 -1.26 -4.92 113.70 113.22 1m90 s SER 38 Ca 0.13 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1m90 s SER 38 Cb -0.12 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1m90 s SER 38 CO 0.03 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1m90 n GLY 39 N 4.45 0.76 3.58 7.32 0.00 -1.26 -5.12 105.19 114.93 1m90 n GLY 39 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1m90 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m90 s THR 40 N 0.83 0.00 -0.06 2.61 -1.32 -1.26 -5.07 115.64 111.37 1m90 s THR 40 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 1m90 s THR 40 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1m90 s THR 40 CO 0.00 0.00 0.88 1.17 -2.21 0.00 0.00 174.62 174.46 1m90 n LYS 41 N 0.53 0.00 0.00 7.08 4.81 -1.26 -0.21 118.16 129.10 1m90 n LYS 41 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1m90 n LYS 41 Cb 0.58 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.49 1m90 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1m90 n ASN 42 N 1.44 0.00 -4.71 3.14 3.02 -1.26 -4.96 115.26 111.93 1m90 n ASN 42 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1m90 n ASN 42 Cb 0.04 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 1m90 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1m90 s ARG 43 N 0.00 4.42 -0.14 3.52 3.52 0.70 -4.99 118.95 125.98 1m90 s ARG 43 Ca 0.00 1.76 -0.29 0.00 -0.13 0.00 0.00 55.73 57.07 1m90 s ARG 43 Cb 0.00 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1m90 s ARG 43 CO 0.00 -0.29 1.28 -1.01 -0.81 0.00 0.00 175.30 174.47 1m90 s HIS 44 N 1.23 2.85 0.12 5.12 3.76 -1.26 -4.61 115.29 122.50 1m90 s HIS 44 Ca 0.59 0.99 -0.35 0.00 -0.15 0.00 0.00 55.06 56.14 1m90 s HIS 44 Cb -0.29 -3.52 -0.15 0.00 1.11 0.00 0.00 32.58 29.73 1m90 s HIS 44 CO 0.28 -1.77 1.50 -0.35 -0.85 0.00 0.00 174.74 173.55 1m90 n PRO 45 N 6.40 1.76 -4.13 8.40 -0.04 -1.26 -4.81 135.00 141.32 1m90 n PRO 45 Ca 0.14 0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 1m90 n PRO 45 Cb 0.45 -2.36 -0.08 0.00 -0.04 0.00 0.00 33.50 31.47 1m90 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1m90 s LYS 46 N 0.88 2.56 -0.01 0.54 -2.85 -1.26 -1.52 119.74 118.06 1m90 s LYS 46 Ca 0.82 -0.87 -0.04 0.00 -1.00 0.00 0.00 55.97 54.87 1m90 s LYS 46 Cb -0.79 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 1m90 s LYS 46 CO 0.42 0.53 0.09 0.00 0.10 0.00 0.00 175.35 176.48 1m90 s ALA 47 N -1.40 -0.21 0.00 0.59 0.00 -0.22 -4.88 121.76 115.65 1m90 s ALA 47 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1m90 s ALA 47 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1m90 s ALA 47 CO 0.19 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1m90 n GLY 48 N 2.23 4.88 3.73 0.00 0.00 -1.26 -0.86 105.19 113.91 1m90 n GLY 48 Ca -0.18 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1m90 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m90 n LEU 49 N 0.00 4.07 0.00 0.99 4.77 -1.26 -2.56 117.00 123.01 1m90 n LEU 49 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1m90 n LEU 49 Cb 0.00 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 1m90 n LEU 49 CO 0.00 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1m90 n GLY 50 N 1.85 1.20 3.87 -0.72 0.00 -0.71 -5.00 105.19 105.67 1m90 n GLY 50 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1m90 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m90 s ASP 51 N -3.12 6.67 -0.29 1.61 1.01 -1.06 -4.87 116.67 116.62 1m90 s ASP 51 Ca 0.00 1.02 -0.11 0.00 0.71 0.00 0.00 52.55 54.18 1m90 s ASP 51 Cb 0.00 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1m90 s ASP 51 CO 0.00 -0.11 0.18 -0.75 0.21 0.00 0.00 175.17 174.70 1m90 s LYS 52 N -2.87 3.79 0.14 8.23 2.20 -1.26 -1.99 119.74 127.98 1m90 s LYS 52 Ca 0.49 -0.42 0.11 0.00 -0.36 0.00 0.00 55.97 55.79 1m90 s LYS 52 Cb -0.11 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1m90 s LYS 52 CO 0.20 -0.24 -0.25 0.96 -0.36 0.00 0.00 175.35 175.67 1m90 s ILE 53 N 1.72 2.39 0.24 5.43 -4.36 -0.59 -0.48 121.20 125.55 1m90 s ILE 53 Ca 0.07 -1.77 -0.16 0.00 -0.26 0.00 0.00 60.65 58.52 1m90 s ILE 53 Cb -0.16 -2.08 -0.08 0.00 1.25 0.00 0.00 42.46 41.38 1m90 s ILE 53 CO 0.10 0.05 0.68 -0.89 0.24 0.00 0.00 174.94 175.11 1m90 s THR 54 N -1.20 4.70 0.14 8.37 2.01 0.64 -1.49 115.64 128.79 1m90 s THR 54 Ca 0.16 1.01 -0.07 0.00 0.31 0.00 0.00 61.69 63.10 1m90 s THR 54 Cb -0.10 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1m90 s THR 54 CO 0.08 0.07 0.20 -0.69 -0.69 0.00 0.00 174.62 173.59 1m90 s VAL 55 N -1.68 0.10 0.07 3.82 1.01 0.20 -1.65 120.40 122.26 1m90 s VAL 55 Ca 0.46 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1m90 s VAL 55 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1m90 s VAL 55 CO 0.20 -0.44 -0.18 -0.94 0.00 0.00 0.00 175.10 173.74 1m90 s SER 56 N -2.96 2.18 -0.34 3.32 1.04 -0.48 -0.27 113.70 116.19 1m90 s SER 56 Ca 0.16 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 55.78 1m90 s SER 56 Cb 0.05 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1m90 s SER 56 CO -0.02 0.05 0.69 -0.69 0.98 0.00 0.00 173.24 174.24 1m90 s VAL 57 N -1.06 4.85 -0.08 5.02 1.01 -0.70 -0.65 120.40 128.79 1m90 s VAL 57 Ca 0.04 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 1m90 s VAL 57 Cb -0.09 -4.10 -0.29 0.00 0.00 0.00 0.00 36.38 31.90 1m90 s VAL 57 CO 0.03 -0.29 0.58 0.74 0.00 0.00 0.00 175.10 176.16 1m90 h THR 58 N 5.65 0.94 -3.99 3.92 2.02 -1.56 -1.84 112.91 118.04 1m90 h THR 58 Ca -0.26 -2.44 -0.41 0.00 0.77 0.00 0.00 66.41 64.08 1m90 h THR 58 Cb 1.11 2.71 -0.23 0.00 -1.74 0.00 0.00 68.15 69.99 1m90 h THR 58 CO 0.85 0.79 -0.78 -0.54 0.37 0.00 0.00 175.52 176.22 1m90 s LYS 59 N -2.53 0.82 0.00 6.66 1.02 -1.13 -4.88 119.74 119.70 1m90 s LYS 59 Ca -0.19 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1m90 s LYS 59 Cb 0.05 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1m90 s LYS 59 CO 0.80 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.83 1m90 n GLY 60 N 1.66 0.68 3.75 -3.33 0.00 -1.26 -0.67 105.19 106.02 1m90 n GLY 60 Ca -0.20 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1m90 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m90 s THR 61 N -2.70 2.61 0.28 2.61 -4.23 -0.02 -4.72 115.64 109.47 1m90 s THR 61 Ca 0.00 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1m90 s THR 61 Cb 0.00 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.88 1m90 s THR 61 CO 0.00 0.08 1.39 -2.65 -0.54 0.00 0.00 174.62 172.90 1m90 n PRO 62 N 2.25 -0.07 0.03 3.99 -0.02 -1.26 0.84 135.00 140.76 1m90 n PRO 62 Ca 0.07 1.32 -0.00 0.00 -2.02 0.00 0.00 63.50 62.86 1m90 n PRO 62 Cb 0.40 -2.12 0.29 0.00 -0.02 0.00 0.00 33.50 32.05 1m90 n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1m90 h GLU 63 N 0.00 0.46 0.05 -0.52 4.39 -1.98 -2.95 114.58 114.03 1m90 h GLU 63 Ca 0.56 -0.11 -0.24 0.00 0.34 0.00 0.00 59.36 59.91 1m90 h GLU 63 Cb 1.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1m90 h GLU 63 CO -0.82 0.55 -1.11 0.52 -1.16 0.00 0.00 179.01 176.99 1m90 h MET 64 N 0.43 0.10 -6.82 2.33 2.86 0.10 -3.45 114.93 110.48 1m90 h MET 64 Ca 0.09 -0.18 -0.57 0.00 -2.06 0.00 0.00 59.70 56.98 1m90 h MET 64 Cb 0.41 0.07 0.14 0.00 0.06 0.00 0.00 31.60 32.28 1m90 h MET 64 CO 0.02 1.08 0.30 0.54 1.06 0.00 0.00 176.91 179.91 1m90 n ARG 65 N -3.42 1.38 -0.23 1.72 1.74 -0.34 -2.43 116.66 115.08 1m90 n ARG 65 Ca -0.04 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1m90 n ARG 65 Cb 0.97 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1m90 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1m90 n ARG 66 N -0.49 0.00 -2.40 5.56 1.74 -0.69 -4.94 116.66 115.43 1m90 n ARG 66 Ca 0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 1m90 n ARG 66 Cb 0.43 -3.08 -0.03 0.00 -1.02 0.00 0.00 32.46 28.75 1m90 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1m90 s GLN 67 N -0.17 4.40 -0.41 5.56 -0.21 -1.02 -4.71 119.66 123.09 1m90 s GLN 67 Ca 0.00 1.81 -0.13 0.00 0.02 0.00 0.00 55.36 57.06 1m90 s GLN 67 Cb 0.00 -2.95 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1m90 s GLN 67 CO 0.00 -0.01 0.28 0.08 -2.12 0.00 0.00 175.29 173.52 1m90 s VAL 68 N -1.30 4.86 0.44 1.09 1.01 -1.26 -1.73 120.40 123.52 1m90 s VAL 68 Ca 0.50 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1m90 s VAL 68 Cb -0.31 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1m90 s VAL 68 CO 0.40 -0.37 0.06 -0.76 0.00 0.00 0.00 175.10 174.44 1m90 s LEU 69 N 1.59 2.19 0.16 3.92 1.43 0.63 -4.94 118.68 123.66 1m90 s LEU 69 Ca 0.03 -1.62 0.05 0.00 -1.03 0.00 0.00 54.13 51.56 1m90 s LEU 69 Cb -0.21 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1m90 s LEU 69 CO 0.07 -0.84 0.15 -0.70 0.23 0.00 0.00 176.35 175.26 1m90 s GLU 70 N -3.79 2.96 0.32 1.70 2.12 -1.26 0.59 118.70 121.33 1m90 s GLU 70 Ca 0.18 -0.83 -0.19 0.00 0.36 0.00 0.00 54.97 54.49 1m90 s GLU 70 Cb 0.03 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1m90 s GLU 70 CO 0.10 0.49 0.75 0.00 -0.54 0.00 0.00 175.26 176.06 1m90 s ALA 71 N -1.73 -1.06 -0.02 6.30 0.00 -0.56 -0.97 121.76 123.72 1m90 s ALA 71 Ca 0.31 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1m90 s ALA 71 Cb -0.10 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1m90 s ALA 71 CO 0.24 -1.02 -0.15 0.08 0.00 0.00 0.00 175.76 174.90 1m90 s VAL 72 N -3.35 1.23 -0.32 0.00 1.01 -0.68 -1.54 120.40 116.74 1m90 s VAL 72 Ca 0.13 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1m90 s VAL 72 Cb -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1m90 s VAL 72 CO 0.08 0.35 1.13 -0.69 0.00 0.00 0.00 175.10 175.98 1m90 s VAL 73 N -0.18 4.41 -0.15 2.92 1.01 -0.84 -0.55 120.40 127.03 1m90 s VAL 73 Ca 0.02 1.62 0.19 0.00 0.00 0.00 0.00 61.98 63.80 1m90 s VAL 73 Cb -0.08 -4.37 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 1m90 s VAL 73 CO 0.00 -0.51 0.25 0.52 0.00 0.00 0.00 175.10 175.36 1m90 n VAL 74 N 5.99 1.03 -3.75 2.92 0.31 0.72 -1.74 118.33 123.81 1m90 n VAL 74 Ca 0.13 -0.75 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 1m90 n VAL 74 Cb 0.47 -0.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.92 1m90 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1m90 s ARG 75 N -2.79 0.58 -0.06 5.55 0.52 -0.77 -3.32 118.95 118.66 1m90 s ARG 75 Ca -0.09 0.13 -0.10 0.00 -0.52 0.00 0.00 55.73 55.15 1m90 s ARG 75 Cb 0.08 0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.84 1m90 s ARG 75 CO 0.85 -0.13 0.25 1.14 0.02 0.00 0.00 175.30 177.43 1m90 s GLN 76 N -0.65 0.43 0.21 3.54 -2.07 -1.21 -0.62 119.66 119.29 1m90 s GLN 76 Ca -0.08 0.08 -0.06 0.00 -1.82 0.00 0.00 55.36 53.48 1m90 s GLN 76 Cb -0.04 0.20 0.17 0.00 -1.09 0.00 0.00 33.01 32.25 1m90 s GLN 76 CO 0.03 -0.09 1.67 0.00 -1.32 0.00 0.00 175.29 175.58 1m90 h ARG 77 N 4.97 0.93 -6.61 9.60 3.08 -1.74 -2.42 114.38 122.18 1m90 h ARG 77 Ca -0.28 -0.30 -0.53 0.00 0.07 0.00 0.00 59.98 58.95 1m90 h ARG 77 Cb 1.19 -0.08 0.04 0.00 0.08 0.00 0.00 29.97 31.19 1m90 h ARG 77 CO 0.37 0.95 0.79 0.21 -1.07 0.00 0.00 179.97 181.22 1m90 s LYS 78 N -4.92 4.27 0.84 0.04 2.47 -1.26 -4.17 119.74 117.01 1m90 s LYS 78 Ca -0.11 2.23 -0.14 0.00 -1.56 0.00 0.00 55.97 56.40 1m90 s LYS 78 Cb 0.14 -3.18 0.01 0.00 -1.46 0.00 0.00 37.83 33.34 1m90 s LYS 78 CO 0.84 -0.49 0.58 -2.30 0.16 0.00 0.00 175.35 174.14 1m90 n PRO 79 N 3.60 0.03 -4.05 4.03 -0.02 -1.26 -4.80 135.00 132.53 1m90 n PRO 79 Ca 0.11 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 1m90 n PRO 79 Cb 0.40 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 1m90 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1m90 s ILE 80 N -2.16 0.45 -0.17 4.25 -4.36 -0.37 -4.08 121.20 114.77 1m90 s ILE 80 Ca 0.63 -1.02 -0.07 0.00 -0.26 0.00 0.00 60.65 59.93 1m90 s ILE 80 Cb -0.28 -0.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 1m90 s ILE 80 CO 0.61 -0.40 0.05 -0.60 0.24 0.00 0.00 174.94 174.85 1m90 s ARG 81 N -1.52 3.82 0.18 0.37 3.52 -0.25 -0.25 118.95 124.82 1m90 s ARG 81 Ca -0.11 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1m90 s ARG 81 Cb -0.10 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1m90 s ARG 81 CO 0.00 0.35 0.33 1.03 -0.81 0.00 0.00 175.30 176.20 1m90 s ARG 82 N 0.15 3.46 0.47 5.12 0.52 -0.57 -0.82 118.95 127.27 1m90 s ARG 82 Ca 0.04 -0.57 0.38 0.00 -0.52 0.00 0.00 55.73 55.06 1m90 s ARG 82 Cb -0.12 -2.91 1.52 0.00 0.52 0.00 0.00 34.95 33.96 1m90 s ARG 82 CO 0.01 0.46 1.50 -2.30 0.02 0.00 0.00 175.30 174.99 1m90 n PRO 83 N -0.79 -0.02 -0.23 3.54 -0.02 -1.26 0.83 135.00 137.05 1m90 n PRO 83 Ca -0.07 1.14 0.04 0.00 -2.02 0.00 0.00 63.50 62.59 1m90 n PRO 83 Cb 0.55 -2.39 0.14 0.00 -0.02 0.00 0.00 33.50 31.78 1m90 n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1m90 n ASP 84 N -4.33 2.09 0.00 2.55 5.75 -1.26 -4.90 116.55 116.44 1m90 n ASP 84 Ca 0.40 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1m90 n ASP 84 Cb 1.68 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.42 1m90 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m90 n GLY 85 N 0.68 2.84 3.76 6.12 0.00 0.24 -5.03 105.19 113.81 1m90 n GLY 85 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1m90 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m90 s THR 86 N -1.95 2.72 0.06 2.61 2.01 -1.25 -4.68 115.64 115.17 1m90 s THR 86 Ca 0.00 0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1m90 s THR 86 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1m90 s THR 86 CO 0.00 0.03 0.25 -0.13 -0.69 0.00 0.00 174.62 174.09 1m90 s ARG 87 N -2.54 3.50 -0.06 4.92 1.81 -1.26 -1.51 118.95 123.81 1m90 s ARG 87 Ca 0.62 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.35 1m90 s ARG 87 Cb -0.35 -3.01 0.02 0.00 -0.45 0.00 0.00 34.95 31.17 1m90 s ARG 87 CO 0.43 0.59 -0.07 0.08 -0.68 0.00 0.00 175.30 175.64 1m90 s VAL 88 N -1.49 0.81 0.05 3.52 1.01 0.65 -4.89 120.40 120.06 1m90 s VAL 88 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1m90 s VAL 88 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1m90 s VAL 88 CO 0.24 0.30 -0.06 -1.59 0.00 0.00 0.00 175.10 173.99 1m90 s LYS 89 N 1.03 0.55 0.46 2.72 -2.85 -1.26 -1.23 119.74 119.16 1m90 s LYS 89 Ca -0.09 -0.91 0.07 0.00 -1.00 0.00 0.00 55.97 54.05 1m90 s LYS 89 Cb -0.14 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.50 1m90 s LYS 89 CO -0.00 -0.01 0.36 -0.06 0.10 0.00 0.00 175.35 175.73 1m90 s PHE 90 N -2.21 2.34 0.03 1.78 0.40 -0.91 -5.02 117.98 114.39 1m90 s PHE 90 Ca -0.05 -0.62 0.18 0.00 -0.60 0.00 0.00 56.93 55.85 1m90 s PHE 90 Cb -0.04 -2.05 0.49 0.00 0.51 0.00 0.00 43.02 41.92 1m90 s PHE 90 CO -0.02 -0.19 1.64 1.49 0.70 0.00 0.00 175.22 178.84 1m90 h GLU 91 N 1.01 0.00 -3.76 0.44 4.22 -1.93 -3.38 114.58 111.17 1m90 h GLU 91 Ca -0.40 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 58.84 1m90 h GLU 91 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1m90 h GLU 91 CO 0.60 0.40 -0.03 0.16 -2.18 0.00 0.00 179.01 177.95 1m90 s ASP 92 N -6.39 0.67 -0.17 1.04 -4.77 -1.26 -4.93 116.67 100.86 1m90 s ASP 92 Ca 0.02 -1.40 -0.06 0.00 -3.30 0.00 0.00 52.55 47.81 1m90 s ASP 92 Cb 0.09 0.73 -0.03 0.00 -1.09 0.00 0.00 42.92 42.62 1m90 s ASP 92 CO 0.70 -1.44 0.01 0.20 0.70 0.00 0.00 175.17 175.34 1m90 s ASN 93 N -3.19 5.23 0.02 2.11 0.01 -1.26 -3.36 114.94 114.50 1m90 s ASN 93 Ca 0.26 -0.02 -0.12 0.00 -0.71 0.00 0.00 52.86 52.27 1m90 s ASN 93 Cb -0.02 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.78 1m90 s ASN 93 CO 0.18 0.18 0.25 0.00 -1.51 0.00 0.00 177.10 176.20 1m90 s ALA 94 N 0.34 -0.57 0.05 0.60 0.00 0.21 -1.09 121.76 121.29 1m90 s ALA 94 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 1m90 s ALA 94 Cb -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1m90 s ALA 94 CO 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 175.76 175.41 1m90 s ALA 95 N -2.02 0.46 -0.18 0.00 0.00 0.44 -0.20 121.76 120.27 1m90 s ALA 95 Ca -0.09 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 1m90 s ALA 95 Cb -0.03 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1m90 s ALA 95 CO -0.00 -0.28 -0.15 0.08 0.00 0.00 0.00 175.76 175.41 1m90 s VAL 96 N -3.06 2.52 0.26 0.00 1.01 0.29 -1.12 120.40 120.30 1m90 s VAL 96 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 1m90 s VAL 96 Cb 0.02 -2.08 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 1m90 s VAL 96 CO -0.06 0.51 1.62 -0.38 0.00 0.00 0.00 175.10 176.79 1m90 n ILE 97 N 4.42 0.67 -4.42 2.22 5.41 -1.26 -1.69 119.36 124.71 1m90 n ILE 97 Ca -0.20 -0.17 -0.21 0.00 1.00 0.00 0.00 62.75 63.18 1m90 n ILE 97 Cb 0.51 -1.92 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1m90 n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1m90 s VAL 98 N 0.38 1.48 0.00 1.39 0.11 -0.15 -1.69 120.40 121.92 1m90 s VAL 98 Ca 0.68 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 1m90 s VAL 98 Cb -0.52 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1m90 s VAL 98 CO 0.43 -0.25 0.00 -0.90 -3.33 0.00 0.00 175.10 171.05 1m90 n ASP 99 N -0.58 1.15 -0.33 3.54 5.68 -1.12 -4.09 116.55 120.80 1m90 n ASP 99 Ca -0.05 -0.78 0.12 0.00 -0.50 0.00 0.00 54.79 53.58 1m90 n ASP 99 Cb 0.64 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.96 1m90 n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1m90 h GLU 100 N 0.00 0.74 -0.01 0.11 5.08 -1.99 -0.32 114.58 118.20 1m90 h GLU 100 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1m90 h GLU 100 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1m90 h GLU 100 CO 0.00 0.49 -0.18 0.09 -1.00 0.00 0.00 179.01 178.41 1m90 n ASN 101 N -4.65 0.98 -0.03 1.42 3.02 -1.26 -4.93 115.26 109.81 1m90 n ASN 101 Ca 0.20 -0.93 -0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1m90 n ASN 101 Cb 0.51 0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1m90 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m90 n GLU 102 N -0.58 -0.02 -3.53 3.52 1.02 -0.13 -5.04 120.64 115.88 1m90 n GLU 102 Ca 0.14 0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 57.14 1m90 n GLU 102 Cb 0.33 -3.74 -0.07 0.00 -0.02 0.00 0.00 31.44 27.94 1m90 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1m90 s ASP 103 N -2.99 6.47 0.18 1.62 1.01 -1.26 -4.47 116.67 117.22 1m90 s ASP 103 Ca 0.00 0.56 -0.33 0.00 0.71 0.00 0.00 52.55 53.49 1m90 s ASP 103 Cb 0.00 -2.19 -0.15 0.00 1.01 0.00 0.00 42.92 41.59 1m90 s ASP 103 CO 0.00 0.11 1.21 -0.81 0.21 0.00 0.00 175.17 175.89 1m90 n PRO 104 N 3.43 1.29 0.22 8.23 -0.04 -1.26 -2.80 135.00 144.07 1m90 n PRO 104 Ca -0.12 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 1m90 n PRO 104 Cb 0.52 -1.99 0.51 0.00 -0.04 0.00 0.00 33.50 32.50 1m90 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1m90 h ARG 105 N 3.56 0.00 0.00 0.54 2.43 -1.63 -3.45 114.38 115.83 1m90 h ARG 105 Ca -0.44 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.49 1m90 h ARG 105 Cb 1.33 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.93 1m90 h ARG 105 CO 0.71 0.25 0.07 0.41 -1.51 0.00 0.00 179.97 179.90 1m90 n GLY 106 N -0.24 0.64 0.05 2.80 0.00 -1.26 -4.95 105.19 102.23 1m90 n GLY 106 Ca -0.01 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 1m90 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m90 n THR 107 N -2.18 0.69 -4.18 2.61 -1.04 -1.26 -5.02 114.28 103.90 1m90 n THR 107 Ca 0.09 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.05 61.46 1m90 n THR 107 Cb 0.31 -0.53 -0.14 0.00 -1.82 0.00 0.00 70.33 68.15 1m90 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1m90 s GLU 108 N -2.40 0.49 -0.22 -2.82 2.02 -1.26 -5.05 118.70 109.46 1m90 s GLU 108 Ca -0.06 -0.29 -0.11 0.00 0.02 0.00 0.00 54.97 54.54 1m90 s GLU 108 Cb 0.04 -0.45 -0.05 0.00 0.10 0.00 0.00 34.13 33.78 1m90 s GLU 108 CO 0.51 0.12 0.16 -0.51 0.02 0.00 0.00 175.26 175.56 1m90 s LEU 109 N -0.34 4.16 -0.08 1.80 1.43 -1.26 -2.17 118.68 122.24 1m90 s LEU 109 Ca 0.01 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 1m90 s LEU 109 Cb -0.03 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1m90 s LEU 109 CO -0.00 0.11 0.49 -0.54 0.23 0.00 0.00 176.35 176.64 1m90 s LYS 110 N 0.75 4.27 0.00 1.70 1.02 -1.09 -4.57 119.74 121.82 1m90 s LYS 110 Ca 0.09 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.58 1m90 s LYS 110 Cb -0.12 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1m90 s LYS 110 CO 0.02 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 1m90 n GLY 111 N 2.87 -1.62 3.73 -3.33 0.00 -1.26 -4.65 105.19 100.93 1m90 n GLY 111 Ca -0.08 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1m90 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m90 s PRO 112 N -1.84 0.97 0.02 1.61 0.04 -1.26 -4.55 135.00 129.99 1m90 s PRO 112 Ca 0.00 0.53 -0.00 0.00 0.04 0.00 0.00 61.00 61.57 1m90 s PRO 112 Cb 0.00 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1m90 s PRO 112 CO 0.00 -2.37 -0.02 0.42 0.04 0.00 0.00 177.00 175.07 1m90 s ILE 113 N -3.06 0.11 0.20 0.56 1.01 -0.72 -4.86 121.20 114.44 1m90 s ILE 113 Ca 0.64 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1m90 s ILE 113 Cb -0.17 -0.33 -0.08 0.00 0.01 0.00 0.00 42.46 41.89 1m90 s ILE 113 CO 0.56 -0.52 1.05 0.00 0.00 0.00 0.00 174.94 176.03 1m90 s ALA 114 N -1.57 3.35 0.34 9.38 0.00 -1.21 -0.71 121.76 131.34 1m90 s ALA 114 Ca -0.15 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1m90 s ALA 114 Cb -0.09 -3.31 0.73 0.00 0.00 0.00 0.00 23.12 20.45 1m90 s ALA 114 CO -0.01 -0.10 1.89 0.07 0.00 0.00 0.00 175.76 177.61 1m90 h ARG 115 N 4.77 0.77 -0.50 0.00 0.11 -1.86 -1.95 114.38 115.72 1m90 h ARG 115 Ca -0.45 -0.05 0.11 0.00 0.10 0.00 0.00 59.98 59.70 1m90 h ARG 115 Cb 1.21 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 32.09 1m90 h ARG 115 CO 0.70 0.51 0.34 0.93 0.10 0.00 0.00 179.97 182.56 1m90 h GLU 116 N 0.79 0.18 0.00 0.08 3.07 -1.89 -0.54 114.58 116.27 1m90 h GLU 116 Ca 0.42 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1m90 h GLU 116 Cb 0.53 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1m90 h GLU 116 CO -0.18 0.12 -0.02 0.28 -1.40 0.00 0.00 179.01 177.80 1m90 h VAL 117 N 0.19 0.12 -0.12 3.13 2.07 -1.69 -2.67 116.25 117.28 1m90 h VAL 117 Ca 0.23 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1m90 h VAL 117 Cb 0.68 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1m90 h VAL 117 CO -0.04 0.02 -0.07 0.00 0.02 0.00 0.00 177.57 177.50 1m90 h ALA 118 N 1.98 0.17 0.00 1.67 0.00 -1.24 -0.91 119.26 120.92 1m90 h ALA 118 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1m90 h ALA 118 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1m90 h ALA 118 CO 0.00 -0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1m90 n GLN 119 N -4.68 0.00 0.00 0.00 6.02 -1.01 -3.02 117.38 114.69 1m90 n GLN 119 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1m90 n GLN 119 Cb 0.29 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1m90 n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m90 n ARG 120 N -0.86 0.00 -3.90 -1.09 1.74 -1.09 -4.84 116.66 106.62 1m90 n ARG 120 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1m90 n ARG 120 Cb 0.00 -0.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.92 1m90 n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1m90 s PHE 121 N -1.96 3.25 0.09 -1.55 0.40 -0.37 -4.98 117.98 112.86 1m90 s PHE 121 Ca 0.00 -3.09 -0.29 0.00 -0.60 0.00 0.00 56.93 52.95 1m90 s PHE 121 Cb 0.00 -2.90 -0.13 0.00 0.51 0.00 0.00 43.02 40.50 1m90 s PHE 121 CO 0.00 -0.75 1.64 0.78 0.70 0.00 0.00 175.22 177.59 1m90 h GLY 122 N 6.55 -0.65 2.00 4.36 0.00 -1.82 -1.26 103.07 112.25 1m90 h GLY 122 Ca -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1m90 h GLY 122 CO 0.70 -0.25 -0.04 1.48 0.00 0.00 0.00 176.54 178.43 1m90 h SER 123 N -0.61 0.00 -0.11 0.19 4.64 -1.93 0.37 113.55 116.10 1m90 h SER 123 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1m90 h SER 123 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1m90 h SER 123 CO -0.03 0.04 -0.41 0.58 -0.87 0.00 0.00 176.83 176.13 1m90 h VAL 124 N 0.00 1.38 0.24 0.95 2.07 -1.70 -3.24 116.25 115.96 1m90 h VAL 124 Ca -0.00 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 1m90 h VAL 124 Cb 0.09 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1m90 h VAL 124 CO 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 177.57 178.00 1m90 h ALA 125 N 0.48 -0.33 0.00 1.67 0.00 0.03 -2.69 119.26 118.42 1m90 h ALA 125 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1m90 h ALA 125 Cb 1.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m90 h ALA 125 CO 0.09 -0.60 0.00 -1.13 0.00 0.00 0.00 179.25 177.61 1m90 n SER 126 N -5.16 0.18 0.00 0.00 3.41 0.12 0.59 113.62 112.76 1m90 n SER 126 Ca -0.09 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1m90 n SER 126 Cb 0.20 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1m90 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m90 n ALA 127 N 0.21 1.22 -1.79 7.33 0.00 -1.02 -5.02 120.51 121.44 1m90 n ALA 127 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1m90 n ALA 127 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1m90 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m90 s ALA 128 N -0.14 3.18 -0.18 0.00 0.00 0.20 -3.99 121.76 120.83 1m90 s ALA 128 Ca 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 1m90 s ALA 128 Cb 0.00 -3.18 -0.22 0.00 0.00 0.00 0.00 23.12 19.72 1m90 s ALA 128 CO 0.00 0.16 0.37 1.15 0.00 0.00 0.00 175.76 177.44 1m90 h THR 129 N 2.47 1.08 -3.80 0.00 2.02 -1.83 -3.46 112.91 109.39 1m90 h THR 129 Ca -0.47 -2.25 -0.51 0.00 0.77 0.00 0.00 66.41 63.95 1m90 h THR 129 Cb 1.19 2.52 -0.31 0.00 -1.74 0.00 0.00 68.15 69.80 1m90 h THR 129 CO 0.64 0.45 -0.82 -0.04 0.37 0.00 0.00 175.52 176.12 1m90 s MET 130 N -2.36 1.51 -0.30 6.66 -1.94 -1.26 -5.10 119.30 116.50 1m90 s MET 130 Ca -0.25 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1m90 s MET 130 Cb 0.04 -1.32 0.09 0.00 2.01 0.00 0.00 34.83 35.65 1m90 s MET 130 CO 0.64 0.17 0.06 0.42 -0.01 0.00 0.00 175.02 176.30 1m90 s ILE 131 N 0.18 1.25 -2.19 2.53 1.01 -1.26 -1.75 121.20 120.97 1m90 s ILE 131 Ca -0.05 -1.51 0.30 0.00 0.00 0.00 0.00 60.65 59.40 1m90 s ILE 131 Cb -0.11 -1.85 0.77 0.00 0.01 0.00 0.00 42.46 41.28 1m90 s ILE 131 CO 0.02 -0.53 2.05 0.52 0.00 0.00 0.00 174.94 176.99