#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 h ALA 22 N 0.00 -0.10 -1.18 3.04 0.00 -2.02 -3.40 119.26 115.60 2i96 h ALA 22 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2i96 h ALA 22 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2i96 h ALA 22 CO 0.00 -0.12 0.00 -0.85 0.00 0.00 0.00 179.25 178.28 2i96 n GLU 23 N -4.80 0.00 0.00 0.00 -0.00 -1.26 -5.02 120.64 109.56 2i96 n GLU 23 Ca -0.05 0.30 0.00 0.00 -0.00 0.00 0.00 57.16 57.41 2i96 n GLU 23 Cb 0.22 -1.15 0.00 0.00 -0.00 0.00 0.00 31.44 30.52 2i96 n GLU 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2i96 n GLN 24 N -1.41 0.00 -1.46 3.44 -0.06 -1.26 -5.03 117.38 111.59 2i96 n GLN 24 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 2i96 n GLN 24 Cb 0.00 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.28 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2i96 n SER 25 N 0.00 2.39 -2.48 1.69 7.64 -1.26 -4.90 113.62 116.70 2i96 n SER 25 Ca 0.00 -3.22 -0.12 0.00 1.01 0.00 0.00 58.87 56.54 2i96 n SER 25 Cb 0.00 -0.43 0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2i96 n SER 25 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2i96 n ASP 26 N -0.61 -2.94 -0.67 6.43 2.03 -1.26 -4.77 116.55 114.76 2i96 n ASP 26 Ca 0.21 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2i96 n ASP 26 Cb 0.87 -3.36 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2i96 n GLU 27 N -3.07 0.00 0.00 -0.67 1.02 -1.26 -5.00 120.64 111.66 2i96 n GLU 27 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2i96 n GLU 27 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i96 n ALA 28 N 0.14 0.00 -2.41 0.62 0.00 -1.26 -4.63 120.51 112.97 2i96 n ALA 28 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2i96 n ALA 28 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2i96 n ALA 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i96 s VAL 29 N 0.00 4.77 0.36 0.00 1.01 -1.26 -5.03 120.40 120.26 2i96 s VAL 29 Ca 0.00 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 2i96 s VAL 29 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2i96 s VAL 29 CO 0.00 0.39 1.33 -0.54 0.00 0.00 0.00 175.10 176.28 2i96 s LYS 30 N -0.17 4.19 0.30 2.72 1.02 -1.26 -4.91 119.74 121.64 2i96 s LYS 30 Ca 0.36 2.25 0.11 0.00 0.02 0.00 0.00 55.97 58.70 2i96 s LYS 30 Cb -0.20 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 2i96 s LYS 30 CO 0.21 -0.34 -0.15 0.71 -0.92 0.00 0.00 175.35 174.86 2i96 s TYR 31 N -1.18 2.29 0.03 3.18 2.02 -1.26 -2.06 117.35 120.38 2i96 s TYR 31 Ca 0.52 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 2i96 s TYR 31 Cb -0.40 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 2i96 s TYR 31 CO 0.53 0.63 -0.20 0.71 -1.57 0.00 0.00 175.55 175.65 2i96 s TYR 32 N -2.59 1.80 0.63 2.71 1.51 -0.48 -4.81 117.35 116.11 2i96 s TYR 32 Ca 0.31 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 2i96 s TYR 32 Cb -0.01 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2i96 s TYR 32 CO 0.15 0.05 1.07 0.95 -1.11 0.00 0.00 175.55 176.67 2i96 s THR 33 N -0.70 3.69 0.29 -0.71 -4.23 -1.26 0.84 115.64 113.55 2i96 s THR 33 Ca 0.07 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.32 2i96 s THR 33 Cb -0.08 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.73 2i96 s THR 33 CO 0.01 -0.52 1.91 0.25 -0.54 0.00 0.00 174.62 175.73 2i96 h LEU 34 N 0.10 0.96 -1.91 4.79 5.85 -1.98 -2.42 115.31 120.70 2i96 h LEU 34 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 2i96 h LEU 34 Cb 1.22 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2i96 h LEU 34 CO 0.56 0.63 -0.05 1.05 -0.34 0.00 0.00 178.44 180.29 2i96 h GLU 35 N 1.10 0.00 0.04 1.25 4.11 -1.99 -2.44 114.58 116.65 2i96 h GLU 35 Ca 0.38 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.70 2i96 h GLU 35 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2i96 h GLU 35 CO -0.14 0.05 -0.47 0.93 0.07 0.00 0.00 179.01 179.45 2i96 h GLU 36 N 0.00 0.25 0.00 1.06 5.08 -1.81 -3.32 114.58 115.84 2i96 h GLU 36 Ca -0.00 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2i96 h GLU 36 Cb 0.37 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2i96 h GLU 36 CO 0.01 1.07 -0.20 0.82 -1.00 0.00 0.00 179.01 179.71 2i96 h ILE 37 N -0.42 0.59 -0.22 3.13 1.08 -1.42 -0.74 117.51 119.51 2i96 h ILE 37 Ca -0.07 -0.95 -0.07 0.00 -0.39 0.00 0.00 64.86 63.38 2i96 h ILE 37 Cb 1.27 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2i96 h ILE 37 CO 0.09 0.20 -0.18 1.56 -0.69 0.00 0.00 178.15 179.13 2i96 h GLN 38 N 0.00 0.37 -0.01 2.37 1.08 -1.58 -2.89 115.11 114.45 2i96 h GLN 38 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2i96 h GLN 38 Cb 0.62 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2i96 h GLN 38 CO 0.03 0.55 0.00 1.17 -0.95 0.00 0.00 178.83 179.62 2i96 n LYS 39 N -4.19 1.22 -1.89 1.46 4.81 -0.29 -3.42 118.16 115.86 2i96 n LYS 39 Ca -0.00 -0.32 -0.20 0.00 -0.87 0.00 0.00 58.31 56.91 2i96 n LYS 39 Cb 0.34 -1.47 0.04 0.00 0.02 0.00 0.00 35.03 33.95 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2i96 n HIS 40 N -0.59 2.41 -0.36 5.64 8.25 -1.09 -4.73 115.22 124.75 2i96 n HIS 40 Ca 0.22 -2.13 0.11 0.00 -0.26 0.00 0.00 57.72 55.65 2i96 n HIS 40 Cb 0.19 -0.33 0.31 0.00 1.12 0.00 0.00 29.99 31.28 2i96 n HIS 40 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2i96 n ASN 41 N -0.75 3.89 -4.00 0.41 6.94 -1.22 -1.03 115.26 119.49 2i96 n ASN 41 Ca 0.40 -2.00 -0.26 0.00 -0.02 0.00 0.00 54.58 52.70 2i96 n ASN 41 Cb 0.94 -0.47 -0.07 0.00 -2.36 0.00 0.00 39.78 37.82 2i96 n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2i96 n HIS 42 N 1.55 0.36 0.01 -2.53 1.44 -1.19 -4.69 115.22 110.17 2i96 n HIS 42 Ca 0.24 -2.54 -0.04 0.00 -2.01 0.00 0.00 57.72 53.36 2i96 n HIS 42 Cb 0.61 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 2i96 n HIS 42 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2i96 h SER 43 N 1.51 -0.47 -0.02 4.39 0.02 -1.94 -2.88 113.55 114.15 2i96 h SER 43 Ca -0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2i96 h SER 43 Cb 1.20 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 2i96 h SER 43 CO 0.54 -0.14 0.28 0.11 -1.14 0.00 0.00 176.83 176.47 2i96 h LYS 44 N -0.18 0.00 -1.39 3.45 1.57 -1.98 -3.33 116.57 114.72 2i96 h LYS 44 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2i96 h LYS 44 Cb 0.20 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.26 2i96 h LYS 44 CO -0.11 0.00 -0.39 -1.12 -0.57 0.00 0.00 179.45 177.26 2i96 s SER 45 N -4.60 -0.65 -0.33 0.86 0.01 -1.10 -5.03 113.70 102.86 2i96 s SER 45 Ca -0.04 0.40 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 2i96 s SER 45 Cb 0.10 1.67 0.04 0.00 0.21 0.00 0.00 66.02 68.03 2i96 s SER 45 CO 0.31 -0.29 0.08 -0.89 0.41 0.00 0.00 173.24 172.86 2i96 s THR 46 N 2.71 3.61 0.41 1.44 2.01 -1.16 -3.17 115.64 121.49 2i96 s THR 46 Ca 0.15 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 61.04 2i96 s THR 46 Cb -0.14 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 2i96 s THR 46 CO -0.21 -0.16 0.12 0.26 -0.69 0.00 0.00 174.62 173.94 2i96 s TRP 47 N 1.37 2.58 0.30 4.92 0.51 -0.20 -1.49 118.94 126.93 2i96 s TRP 47 Ca -0.02 -0.59 -0.11 0.00 -2.12 0.00 0.00 56.10 53.25 2i96 s TRP 47 Cb -0.20 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.60 2i96 s TRP 47 CO 0.02 0.28 0.54 -0.48 -0.51 0.00 0.00 176.95 176.80 2i96 s LEU 48 N -3.84 0.42 -0.22 2.99 2.34 -1.21 -2.16 118.68 116.99 2i96 s LEU 48 Ca 0.39 -1.09 -0.01 0.00 0.06 0.00 0.00 54.13 53.48 2i96 s LEU 48 Cb 0.05 1.91 0.06 0.00 -0.56 0.00 0.00 46.19 47.65 2i96 s LEU 48 CO 0.21 -1.28 -0.01 -0.63 -1.06 0.00 0.00 176.35 173.58 2i96 s ILE 49 N -3.50 1.10 0.06 1.48 1.01 0.11 -2.03 121.20 119.43 2i96 s ILE 49 Ca 0.23 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2i96 s ILE 49 Cb -0.02 -1.48 -0.18 0.00 0.01 0.00 0.00 42.46 40.79 2i96 s ILE 49 CO 0.12 -0.15 1.19 -0.07 0.00 0.00 0.00 174.94 176.03 2i96 h LEU 50 N 8.08 0.00 0.00 2.97 3.38 -1.81 -1.19 115.31 126.74 2i96 h LEU 50 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2i96 h LEU 50 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2i96 h LEU 50 CO 0.38 0.94 0.00 1.41 0.09 0.00 0.00 178.44 181.26 2i96 n HIS 51 N -3.28 -0.43 -1.81 1.13 8.25 -1.26 -4.24 115.22 113.58 2i96 n HIS 51 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2i96 n HIS 51 Cb 0.93 0.17 0.00 0.00 1.12 0.00 0.00 29.99 32.21 2i96 n HIS 51 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i96 n HIS 52 N -1.51 0.00 -4.65 4.41 8.25 -1.26 -5.05 115.22 115.41 2i96 n HIS 52 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2i96 n HIS 52 Cb 0.00 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.01 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2i96 s LYS 53 N 0.00 1.25 0.03 -0.41 1.02 -1.26 -3.57 119.74 116.80 2i96 s LYS 53 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.18 2i96 s LYS 53 Cb 0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 2i96 s LYS 53 CO 0.00 0.33 0.36 0.54 -0.92 0.00 0.00 175.35 175.66 2i96 s VAL 54 N -0.58 5.15 0.42 3.17 0.11 -0.34 -3.55 120.40 124.79 2i96 s VAL 54 Ca 0.06 0.46 0.05 0.00 -2.93 0.00 0.00 61.98 59.61 2i96 s VAL 54 Cb -0.07 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2i96 s VAL 54 CO 0.00 0.39 0.02 -0.31 -3.33 0.00 0.00 175.10 171.88 2i96 s TYR 55 N -1.28 2.20 -0.02 1.54 1.51 -0.86 -2.16 117.35 118.27 2i96 s TYR 55 Ca 0.29 -0.84 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2i96 s TYR 55 Cb -0.14 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2i96 s TYR 55 CO 0.16 0.26 -0.15 0.34 -1.11 0.00 0.00 175.55 175.05 2i96 s ASP 56 N -3.71 1.84 0.00 2.29 -1.08 -1.16 -3.34 116.67 111.51 2i96 s ASP 56 Ca 0.26 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2i96 s ASP 56 Cb 0.07 -0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.23 2i96 s ASP 56 CO 0.13 0.17 0.70 0.18 0.52 0.00 0.00 175.17 176.88 2i96 n LEU 57 N 2.86 1.25 0.31 -1.34 7.99 -0.55 -4.83 117.00 122.69 2i96 n LEU 57 Ca -0.16 -1.25 0.17 0.00 -0.01 0.00 0.00 56.01 54.76 2i96 n LEU 57 Cb 0.54 0.00 0.92 0.00 -0.11 0.00 0.00 43.42 44.77 2i96 n LEU 57 CO 0.24 0.31 1.10 0.74 -1.51 0.00 0.00 177.39 178.28 2i96 h THR 58 N 0.55 0.00 0.00 -5.08 2.02 -1.94 1.18 112.91 109.65 2i96 h THR 58 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2i96 h THR 58 Cb 0.44 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2i96 h THR 58 CO 0.00 0.00 -1.70 0.29 0.37 0.00 0.00 175.52 174.48 2i96 n LYS 59 N -2.84 0.50 0.07 6.66 4.01 -1.26 -4.61 118.16 120.69 2i96 n LYS 59 Ca -0.02 -0.13 0.13 0.00 -0.51 0.00 0.00 58.31 57.77 2i96 n LYS 59 Cb 0.23 -1.36 0.35 0.00 -0.51 0.00 0.00 35.03 33.74 2i96 n LYS 59 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2i96 n PHE 60 N -2.05 0.62 -0.22 2.13 7.35 0.39 -4.05 117.46 121.63 2i96 n PHE 60 Ca -0.03 0.18 0.27 0.00 -0.76 0.00 0.00 57.45 57.10 2i96 n PHE 60 Cb 0.42 -0.75 0.66 0.00 0.35 0.00 0.00 39.48 40.16 2i96 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2i96 h LEU 61 N 0.00 0.13 -0.57 -2.13 3.38 -1.19 0.11 115.31 115.05 2i96 h LEU 61 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i96 h LEU 61 Cb 0.69 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2i96 h LEU 61 CO 0.00 0.04 -0.58 -1.84 0.09 0.00 0.00 178.44 176.16 2i96 n GLU 62 N -4.35 1.32 0.00 1.13 0.28 -1.26 -4.33 120.64 113.44 2i96 n GLU 62 Ca 0.20 -0.54 0.06 0.00 -0.16 0.00 0.00 57.16 56.72 2i96 n GLU 62 Cb 0.93 -1.36 -0.00 0.00 1.43 0.00 0.00 31.44 32.44 2i96 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i96 n GLU 63 N -0.61 2.03 -4.06 3.44 4.07 0.26 -4.95 120.64 120.82 2i96 n GLU 63 Ca 0.06 -0.63 -0.35 0.00 -0.06 0.00 0.00 57.16 56.18 2i96 n GLU 63 Cb 0.35 -1.13 -0.12 0.00 -0.06 0.00 0.00 31.44 30.48 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2i96 s HIS 64 N -1.51 3.07 0.28 4.31 2.46 -0.54 -5.01 115.29 118.35 2i96 s HIS 64 Ca 0.09 -0.36 0.12 0.00 0.47 0.00 0.00 55.06 55.39 2i96 s HIS 64 Cb 0.09 -2.09 0.49 0.00 -0.13 0.00 0.00 32.58 30.94 2i96 s HIS 64 CO 0.30 -0.18 1.68 -1.00 -2.47 0.00 0.00 174.74 173.07 2i96 h PRO 65 N 7.38 0.00 -1.02 2.88 0.13 -1.92 -3.33 132.00 136.12 2i96 h PRO 65 Ca -0.36 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.16 2i96 h PRO 65 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2i96 h PRO 65 CO 0.62 0.53 0.79 0.41 -0.23 0.00 0.00 178.00 180.12 2i96 n GLY 66 N 0.10 5.41 0.00 1.56 0.00 -1.26 -4.89 105.19 106.11 2i96 n GLY 66 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2i96 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 67 N -0.91 3.70 1.80 -0.02 0.00 -1.25 -4.85 105.19 103.66 2i96 n GLY 67 Ca 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2i96 n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i96 n GLU 68 N -0.62 0.00 0.19 1.61 2.13 -1.26 -4.79 120.64 117.89 2i96 n GLU 68 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2i96 n GLU 68 Cb 0.00 -0.05 -0.05 0.00 0.27 0.00 0.00 31.44 31.61 2i96 n GLU 68 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2i96 h GLU 69 N 0.00 -0.52 0.00 5.31 4.39 -1.96 -3.37 114.58 118.43 2i96 h GLU 69 Ca 0.00 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2i96 h GLU 69 Cb 0.00 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2i96 h GLU 69 CO 0.00 -0.30 -0.04 0.28 -1.16 0.00 0.00 179.01 177.80 2i96 h VAL 70 N -1.11 0.39 -0.91 3.13 2.07 -1.91 -2.26 116.25 115.65 2i96 h VAL 70 Ca -0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2i96 h VAL 70 Cb 0.46 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2i96 h VAL 70 CO 0.09 0.04 0.60 -0.07 0.02 0.00 0.00 177.57 178.25 2i96 h LEU 71 N 0.00 1.04 -2.24 2.57 3.38 -1.88 -3.04 115.31 115.14 2i96 h LEU 71 Ca -0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2i96 h LEU 71 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2i96 h LEU 71 CO 0.00 0.75 0.24 0.08 0.09 0.00 0.00 178.44 179.60 2i96 h ARG 72 N 1.23 0.00 0.00 1.13 0.11 -1.62 -0.91 114.38 114.32 2i96 h ARG 72 Ca 0.34 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.36 2i96 h ARG 72 Cb -0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.94 2i96 h ARG 72 CO -0.08 0.00 -1.87 0.39 0.10 0.00 0.00 179.97 178.51 2i96 n GLU 73 N -3.50 0.65 0.08 0.08 1.02 -1.15 -3.95 120.64 113.87 2i96 n GLU 73 Ca 0.01 -0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.16 2i96 n GLU 73 Cb 0.35 -1.58 0.09 0.00 -0.02 0.00 0.00 31.44 30.28 2i96 n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2i96 h GLN 74 N 0.00 0.00 -6.77 3.49 1.08 -1.30 -3.47 115.11 108.14 2i96 h GLN 74 Ca -0.08 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.63 2i96 h GLN 74 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2i96 h GLN 74 CO 0.01 0.00 0.41 0.00 -0.95 0.00 0.00 178.83 178.29 2i96 s ALA 75 N -3.25 3.37 0.00 3.87 0.00 -0.47 -3.94 121.76 121.34 2i96 s ALA 75 Ca 0.03 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2i96 s ALA 75 Cb 0.12 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2i96 s ALA 75 CO 0.76 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.97 2i96 n GLY 76 N 1.37 2.41 0.00 0.00 0.00 -0.92 -4.65 105.19 103.40 2i96 n GLY 76 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2i96 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 77 N -0.38 0.97 3.68 -0.02 0.00 -1.25 -3.91 105.19 104.27 2i96 n GLY 77 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2i96 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i96 s ASP 78 N 2.00 6.58 0.00 1.61 1.11 -1.25 0.06 116.67 126.78 2i96 s ASP 78 Ca 0.00 2.48 0.03 0.00 0.18 0.00 0.00 52.55 55.24 2i96 s ASP 78 Cb 0.00 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.47 2i96 s ASP 78 CO 0.00 -0.93 0.70 0.00 1.18 0.00 0.00 175.17 176.12 2i96 n ALA 79 N 6.26 2.39 0.79 5.23 0.00 -0.45 -4.78 120.51 129.95 2i96 n ALA 79 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2i96 n ALA 79 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2i96 n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i96 n THR 80 N 0.06 0.43 -0.04 0.00 5.66 -1.26 -3.08 114.28 116.05 2i96 n THR 80 Ca 0.02 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.83 2i96 n THR 80 Cb 0.12 -0.67 -0.13 0.00 -1.55 0.00 0.00 70.33 68.11 2i96 n THR 80 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2i96 h GLU 81 N 0.33 0.12 -0.34 1.09 -0.00 -1.93 -3.25 114.58 110.59 2i96 h GLU 81 Ca 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 59.36 59.12 2i96 h GLU 81 Cb 0.61 0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.42 2i96 h GLU 81 CO 0.00 1.10 0.05 -0.97 -0.00 0.00 0.00 179.01 179.18 2i96 h ASN 82 N -0.70 0.48 0.81 3.06 -0.73 -1.96 -2.88 115.58 113.66 2i96 h ASN 82 Ca -0.20 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 57.84 2i96 h ASN 82 Cb 1.40 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 2i96 h ASN 82 CO -0.01 0.51 -0.27 0.15 -0.37 0.00 0.00 177.43 177.44 2i96 h PHE 83 N 0.50 0.00 -0.00 0.67 3.57 -1.71 -1.41 116.94 118.56 2i96 h PHE 83 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2i96 h PHE 83 Cb 0.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2i96 h PHE 83 CO 0.01 0.27 -0.39 0.39 -2.23 0.00 0.00 178.31 176.36 2i96 n GLU 84 N -3.49 0.20 -0.04 1.11 -0.58 -1.09 -3.50 120.64 113.25 2i96 n GLU 84 Ca -0.00 -0.11 -0.05 0.00 -0.42 0.00 0.00 57.16 56.58 2i96 n GLU 84 Cb 0.44 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 2i96 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2i96 n ASP 85 N -1.30 1.14 -0.05 1.62 2.03 -0.92 -4.93 116.55 114.14 2i96 n ASP 85 Ca 0.07 0.19 -0.11 0.00 0.52 0.00 0.00 54.79 55.47 2i96 n ASP 85 Cb 0.33 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 40.14 2i96 n ASP 85 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2i96 n VAL 86 N -3.64 0.56 -1.37 5.18 0.31 -0.62 -5.09 118.33 113.66 2i96 n VAL 86 Ca -0.07 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2i96 n VAL 86 Cb 0.26 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i96 n GLY 87 N 2.43 2.14 3.00 2.92 0.00 -0.67 -4.81 105.19 110.21 2i96 n GLY 87 Ca -0.20 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 2i96 n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i96 s HIS 88 N 0.00 0.39 0.78 1.61 3.76 -1.26 -4.91 115.29 115.66 2i96 s HIS 88 Ca 0.00 -0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2i96 s HIS 88 Cb 0.00 -0.25 0.11 0.00 1.11 0.00 0.00 32.58 33.55 2i96 s HIS 88 CO 0.00 -0.12 1.10 -1.54 -0.85 0.00 0.00 174.74 173.33 2i96 s SER 89 N -1.26 4.28 0.36 1.40 1.04 -1.26 -4.94 113.70 113.31 2i96 s SER 89 Ca -0.11 0.29 0.15 0.00 0.48 0.00 0.00 55.95 56.75 2i96 s SER 89 Cb -0.08 -0.72 1.02 0.00 0.10 0.00 0.00 66.02 66.33 2i96 s SER 89 CO -0.00 -1.95 1.74 0.74 0.98 0.00 0.00 173.24 174.74 2i96 h THR 90 N -0.88 0.51 -0.31 2.02 2.02 -2.01 -2.29 112.91 111.95 2i96 h THR 90 Ca -0.43 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 66.66 2i96 h THR 90 Cb 1.29 -0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 2i96 h THR 90 CO 0.52 0.09 -0.28 -0.78 0.37 0.00 0.00 175.52 175.43 2i96 h ASP 91 N 0.47 -0.91 0.57 4.18 3.58 -2.02 -0.73 116.42 121.56 2i96 h ASP 91 Ca 0.63 0.16 0.00 0.00 0.42 0.00 0.00 57.03 58.24 2i96 h ASP 91 Cb 1.42 0.43 0.00 0.00 1.72 0.00 0.00 39.33 42.90 2i96 h ASP 91 CO -0.39 -0.30 0.00 0.00 -2.88 0.00 0.00 179.24 175.67 2i96 n ALA 92 N -2.90 2.06 0.52 -0.78 0.00 -0.86 -1.57 120.51 116.98 2i96 n ALA 92 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2i96 n ALA 92 Cb 0.31 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 18.81 2i96 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i96 h ARG 93 N 0.00 0.00 0.00 0.00 3.08 -1.17 -2.77 114.38 113.53 2i96 h ARG 93 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 2i96 h ARG 93 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2i96 h ARG 93 CO 0.00 0.00 -1.91 0.39 -1.07 0.00 0.00 179.97 177.38 2i96 n GLU 94 N -2.42 0.38 0.01 0.04 -0.58 -0.71 -4.54 120.64 112.83 2i96 n GLU 94 Ca 0.05 0.11 0.01 0.00 -0.42 0.00 0.00 57.16 56.91 2i96 n GLU 94 Cb 0.41 -1.24 0.34 0.00 -0.57 0.00 0.00 31.44 30.38 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2i96 h MET 95 N -0.22 0.50 0.00 3.49 4.05 -1.38 -2.90 114.93 118.47 2i96 h MET 95 Ca -0.38 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2i96 h MET 95 Cb 1.48 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2i96 h MET 95 CO -0.13 0.49 -0.09 0.43 0.23 0.00 0.00 176.91 177.84 2i96 n SER 96 N -4.33 0.54 0.26 1.39 7.64 -1.04 -4.18 113.62 113.90 2i96 n SER 96 Ca 0.02 0.47 0.08 0.00 1.01 0.00 0.00 58.87 60.44 2i96 n SER 96 Cb 0.20 -0.56 0.64 0.00 -1.01 0.00 0.00 64.21 63.48 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i96 h LYS 97 N 0.00 0.00 -0.19 1.43 1.57 -1.75 0.41 116.57 118.05 2i96 h LYS 97 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i96 h LYS 97 Cb 0.65 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2i96 h LYS 97 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 2i96 n THR 98 N -4.54 0.24 0.84 -0.16 -2.24 -1.26 -3.39 114.28 103.78 2i96 n THR 98 Ca -0.03 -0.40 0.10 0.00 -2.27 0.00 0.00 64.05 61.45 2i96 n THR 98 Cb 0.09 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 2i96 n THR 98 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2i96 n PHE 99 N 0.50 0.00 -2.20 4.78 3.72 0.13 -4.80 117.46 119.58 2i96 n PHE 99 Ca 0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 2i96 n PHE 99 Cb 0.37 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 2i96 n PHE 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2i96 s ILE 100 N -3.02 3.58 -0.02 4.37 1.01 -1.18 -3.00 121.20 122.95 2i96 s ILE 100 Ca 0.06 -0.42 0.17 0.00 0.00 0.00 0.00 60.65 60.45 2i96 s ILE 100 Cb 0.15 -4.32 0.09 0.00 0.01 0.00 0.00 42.46 38.40 2i96 s ILE 100 CO 0.85 -1.24 1.56 0.16 0.00 0.00 0.00 174.94 176.27 2i96 h ILE 101 N 7.08 0.86 0.00 2.92 3.07 -1.75 -3.48 117.51 126.21 2i96 h ILE 101 Ca 0.09 -1.94 0.00 0.00 1.55 0.00 0.00 64.86 64.56 2i96 h ILE 101 Cb 1.02 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.79 2i96 h ILE 101 CO 1.27 0.44 0.00 0.61 -1.05 0.00 0.00 178.15 179.43 2i96 n GLY 102 N 0.83 -1.26 2.56 0.16 0.00 -1.23 -4.92 105.19 101.33 2i96 n GLY 102 Ca 0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 2i96 n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i96 n GLU 103 N -0.02 0.98 -3.28 1.61 1.02 -0.87 -1.20 120.64 118.88 2i96 n GLU 103 Ca 0.00 -2.36 -0.19 0.00 -0.02 0.00 0.00 57.16 54.59 2i96 n GLU 103 Cb 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 2i96 n GLU 103 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i96 s LEU 104 N 0.00 3.84 0.63 -4.62 2.01 -1.23 -1.38 118.68 117.92 2i96 s LEU 104 Ca 0.17 -0.20 -0.16 0.00 0.01 0.00 0.00 54.13 53.96 2i96 s LEU 104 Cb -0.01 -2.77 -0.01 0.00 0.01 0.00 0.00 46.19 43.40 2i96 s LEU 104 CO 0.11 -0.57 1.11 -2.28 1.01 0.00 0.00 176.35 175.73 2i96 s HIS 105 N -2.28 2.65 -0.32 0.29 5.04 0.25 -4.10 115.29 116.82 2i96 s HIS 105 Ca 0.48 1.55 -0.06 0.00 -1.54 0.00 0.00 55.06 55.49 2i96 s HIS 105 Cb -0.10 -3.19 -0.09 0.00 0.04 0.00 0.00 32.58 29.25 2i96 s HIS 105 CO 0.32 -1.64 1.36 -2.30 -2.34 0.00 0.00 174.74 170.15 2i96 n PRO 106 N -2.17 0.03 0.00 2.88 -0.02 -1.26 -1.25 135.00 133.20 2i96 n PRO 106 Ca 0.11 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2i96 n PRO 106 Cb 0.52 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 2i96 n PRO 106 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2i96 n ASP 107 N 7.43 0.00 0.00 2.55 -0.08 -1.26 -4.92 116.55 120.27 2i96 n ASP 107 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2i96 n ASP 107 Cb 0.45 0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2i96 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2i96 n ASP 108 N -1.12 3.08 -4.71 1.67 -0.08 -0.38 -4.97 116.55 110.03 2i96 n ASP 108 Ca 0.00 0.00 -0.62 0.00 -1.51 0.00 0.00 54.79 52.66 2i96 n ASP 108 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 2i96 n ASP 108 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2i96 n ARG 109 N -2.61 0.53 -0.39 -0.67 0.63 -0.68 -4.18 116.66 109.29 2i96 n ARG 109 Ca 0.00 0.19 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 2i96 n ARG 109 Cb 0.50 -1.78 -0.04 0.00 0.45 0.00 0.00 32.46 31.59 2i96 n ARG 109 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2i96 n PRO 110 N 4.35 0.00 -2.18 -0.14 -0.02 -1.26 -4.68 135.00 131.07 2i96 n PRO 110 Ca 0.28 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 2i96 n PRO 110 Cb 0.04 -0.41 -0.03 0.00 -0.02 0.00 0.00 33.50 33.08 2i96 n PRO 110 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2i96 s LYS 111 N 2.27 2.79 0.00 -0.52 1.02 -1.26 -4.50 119.74 119.54 2i96 s LYS 111 Ca 0.36 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2i96 s LYS 111 Cb -0.35 -4.60 0.00 0.00 -0.52 0.00 0.00 37.83 32.36 2i96 s LYS 111 CO 0.14 -2.74 0.00 -0.11 -0.92 0.00 0.00 175.35 171.72 2i96 n LEU 112 N 12.12 -1.06 -2.52 3.17 7.94 -1.26 -5.01 117.00 130.37 2i96 n LEU 112 Ca 0.23 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.04 2i96 n LEU 112 Cb 0.50 0.64 0.04 0.00 0.53 0.00 0.00 43.42 45.13 2i96 n LEU 112 CO 0.68 0.00 0.02 -3.20 -1.11 0.00 0.00 177.39 173.78 2i96 n ASN 113 N -0.42 -4.43 -4.01 1.96 5.15 -1.26 -5.04 115.26 107.21 2i96 n ASN 113 Ca 0.00 -0.41 -0.31 0.00 -0.60 0.00 0.00 54.58 53.26 2i96 n ASN 113 Cb 0.00 -3.28 -0.16 0.00 -0.53 0.00 0.00 39.78 35.81 2i96 n ASN 113 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2i96 s LYS 114 N -3.94 2.12 0.24 1.20 2.20 -1.26 -5.04 119.74 115.26 2i96 s LYS 114 Ca 0.24 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 54.66 2i96 s LYS 114 Cb -0.03 -2.45 -0.13 0.00 -1.51 0.00 0.00 37.83 33.71 2i96 s LYS 114 CO 0.44 -0.42 1.58 -0.35 -0.36 0.00 0.00 175.35 176.23 2i96 n PRO 115 N 4.66 2.46 0.00 4.03 -0.04 -1.26 -5.00 135.00 139.86 2i96 n PRO 115 Ca -0.15 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2i96 n PRO 115 Cb 0.46 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2i96 n PRO 115 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2i96 n PRO 116 N 2.73 3.52 -0.27 0.54 -0.05 -1.26 -4.64 135.00 135.57 2i96 n PRO 116 Ca 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.54 2i96 n PRO 116 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.77 2i96 n PRO 116 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2i96 n GLU 117 N 0.00 -0.22 0.00 0.54 -0.58 -1.26 -0.46 120.64 118.66 2i96 n GLU 117 Ca 0.00 1.02 0.14 0.00 -0.42 0.00 0.00 57.16 57.90 2i96 n GLU 117 Cb 0.00 -1.51 0.46 0.00 -0.57 0.00 0.00 31.44 29.82 2i96 n GLU 117 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2i96 n THR 118 N -4.92 0.00 0.00 2.62 5.66 -1.26 -4.96 114.28 111.42 2i96 n THR 118 Ca 0.04 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2i96 n THR 118 Cb 0.23 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 2i96 n THR 118 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2i96 n LEU 119 N 0.05 0.00 -4.35 1.09 7.99 0.39 -4.46 117.00 117.70 2i96 n LEU 119 Ca 0.17 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.83 2i96 n LEU 119 Cb 0.37 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.54 2i96 n LEU 119 CO 0.19 0.00 -0.40 -0.63 -1.51 0.00 0.00 177.39 175.04 2i96 s ILE 120 N 0.00 3.35 -0.74 -0.08 -1.09 -1.26 -4.68 121.20 116.69 2i96 s ILE 120 Ca 0.00 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2i96 s ILE 120 Cb 0.00 -2.48 0.37 0.00 -1.58 0.00 0.00 42.46 38.76 2i96 s ILE 120 CO 0.00 0.46 1.74 0.35 -1.23 0.00 0.00 174.94 176.26 2i96 n THR 121 N 4.24 3.44 1.16 2.92 -2.24 -1.26 -4.61 114.28 117.93 2i96 n THR 121 Ca -0.18 -4.63 0.13 0.00 -2.27 0.00 0.00 64.05 57.10 2i96 n THR 121 Cb 0.52 -1.27 0.48 0.00 -2.10 0.00 0.00 70.33 67.95 2i96 n THR 121 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2i96 n THR 122 N -0.48 0.00 -2.42 4.28 -2.24 -1.26 -3.93 114.28 108.23 2i96 n THR 122 Ca 0.49 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.89 2i96 n THR 122 Cb 0.35 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2i96 n THR 122 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2i96 n ILE 123 N -1.24 3.72 -0.06 2.28 -0.00 -1.26 -5.02 119.36 117.78 2i96 n ILE 123 Ca 0.10 -5.09 0.00 0.00 -0.00 0.00 0.00 62.75 57.76 2i96 n ILE 123 Cb 0.32 -1.35 0.00 0.00 -0.00 0.00 0.00 39.64 38.61 2i96 n ILE 123 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2i96 n ASP 124 N -0.36 0.00 0.06 7.28 5.75 -1.25 -4.98 116.55 123.04 2i96 n ASP 124 Ca 0.44 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 55.04 2i96 n ASP 124 Cb 0.38 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2i96 h SER 125 N 0.00 0.76 0.00 -1.12 0.87 -1.95 -3.46 113.55 108.65 2i96 h SER 125 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2i96 h SER 125 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2i96 h SER 125 CO 0.00 1.43 0.00 -1.54 -0.53 0.00 0.00 176.83 176.19 2i96 n SER 126 N -3.80 -2.16 -0.26 6.23 3.41 -1.26 -4.73 113.62 111.05 2i96 n SER 126 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2i96 n SER 126 Cb 0.89 -2.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2i96 n SER 127 N 0.02 -3.61 0.00 4.04 7.64 -1.26 -5.29 113.62 115.16 2i96 n SER 127 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2i96 n SER 127 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2i96 n SER 127 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49