#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 n ALA 22 N 0.00 1.00 0.62 3.04 0.00 -1.26 -4.88 120.51 119.03 2i96 n ALA 22 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2i96 n ALA 22 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 2i96 n ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i96 n GLU 23 N -2.98 0.26 0.00 0.00 4.71 -1.26 -4.94 120.64 116.44 2i96 n GLU 23 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 2i96 n GLU 23 Cb 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 2i96 n GLU 23 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2i96 n GLN 24 N -2.14 0.00 0.00 3.49 -0.06 -1.26 -3.72 117.38 113.69 2i96 n GLN 24 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 2i96 n GLN 24 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 2i96 n GLN 24 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2i96 n SER 25 N 2.35 0.00 -4.27 1.69 3.41 -1.26 -4.86 113.62 110.68 2i96 n SER 25 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2i96 n SER 25 Cb 0.00 0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 2i96 n SER 25 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2i96 s ASP 26 N -1.97 0.90 0.00 4.04 1.11 -1.24 -5.06 116.67 114.45 2i96 s ASP 26 Ca 0.00 -1.34 0.00 0.00 0.18 0.00 0.00 52.55 51.39 2i96 s ASP 26 Cb 0.00 0.21 0.00 0.00 1.07 0.00 0.00 42.92 44.20 2i96 s ASP 26 CO 0.00 -0.73 0.00 -1.84 1.18 0.00 0.00 175.17 173.78 2i96 n GLU 27 N -0.36 0.00 0.00 8.23 0.28 -1.26 -5.02 120.64 122.50 2i96 n GLU 27 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2i96 n GLU 27 Cb 0.66 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 32.91 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i96 n ALA 28 N -2.11 0.00 -1.46 -1.84 0.00 -1.26 -5.12 120.51 108.71 2i96 n ALA 28 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.92 2i96 n ALA 28 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 2i96 n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i96 n VAL 29 N 0.00 1.15 -2.32 0.00 0.31 -1.26 -4.89 118.33 111.32 2i96 n VAL 29 Ca 0.00 -0.29 -0.38 0.00 -0.01 0.00 0.00 64.34 63.66 2i96 n VAL 29 Cb 0.00 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.77 2i96 n VAL 29 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2i96 s LYS 30 N -0.59 4.04 0.21 5.55 3.01 -1.26 -4.87 119.74 125.83 2i96 s LYS 30 Ca 0.74 1.80 0.11 0.00 -1.01 0.00 0.00 55.97 57.61 2i96 s LYS 30 Cb -1.03 -2.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.10 2i96 s LYS 30 CO 0.56 -0.32 -0.21 0.71 0.51 0.00 0.00 175.35 176.60 2i96 s TYR 31 N -1.45 2.36 0.00 3.18 2.02 -1.26 -0.64 117.35 121.56 2i96 s TYR 31 Ca 0.58 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2i96 s TYR 31 Cb -0.30 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 2i96 s TYR 31 CO 0.37 0.54 0.00 0.66 -1.57 0.00 0.00 175.55 175.55 2i96 n TYR 32 N 0.07 0.00 -4.41 2.71 4.01 -0.12 -4.90 117.16 114.53 2i96 n TYR 32 Ca -0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 2i96 n TYR 32 Cb 0.57 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 2i96 n TYR 32 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2i96 s THR 33 N 0.03 2.08 0.26 -0.72 -4.23 -1.26 -0.05 115.64 111.75 2i96 s THR 33 Ca 0.00 -2.30 -0.02 0.00 -1.18 0.00 0.00 61.69 58.20 2i96 s THR 33 Cb 0.00 -2.20 0.25 0.00 1.34 0.00 0.00 72.50 71.89 2i96 s THR 33 CO 0.00 -0.48 1.71 0.25 -0.54 0.00 0.00 174.62 175.55 2i96 h LEU 34 N 2.40 0.22 -0.56 4.79 5.85 -1.96 -1.23 115.31 124.82 2i96 h LEU 34 Ca -0.39 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2i96 h LEU 34 Cb 1.24 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 2i96 h LEU 34 CO 0.62 0.03 0.28 -0.33 -0.34 0.00 0.00 178.44 178.69 2i96 h GLU 35 N 0.38 0.51 0.00 1.25 5.08 -2.00 -2.01 114.58 117.79 2i96 h GLU 35 Ca 0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2i96 h GLU 35 Cb 0.80 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2i96 h GLU 35 CO -0.48 0.34 -0.96 1.05 -1.00 0.00 0.00 179.01 177.96 2i96 h GLU 36 N 0.53 0.00 -0.91 2.33 4.11 -1.92 -3.11 114.58 115.60 2i96 h GLU 36 Ca 0.25 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.61 2i96 h GLU 36 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2i96 h GLU 36 CO -0.19 0.00 0.09 -0.89 0.07 0.00 0.00 179.01 178.09 2i96 n ILE 37 N -2.59 1.26 0.00 -1.06 5.41 -0.48 -3.27 119.36 118.63 2i96 n ILE 37 Ca 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2i96 n ILE 37 Cb 0.53 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 2i96 n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i96 n GLN 38 N 0.11 0.86 0.00 0.38 1.13 -0.93 -4.11 117.38 114.81 2i96 n GLN 38 Ca 0.14 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.30 2i96 n GLN 38 Cb 0.70 -0.92 0.61 0.00 0.11 0.00 0.00 30.24 30.74 2i96 n GLN 38 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2i96 n LYS 39 N -2.20 0.97 -0.06 -1.09 2.85 -1.20 -2.37 118.16 115.05 2i96 n LYS 39 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2i96 n LYS 39 Cb 0.42 -1.33 0.28 0.00 -0.65 0.00 0.00 35.03 33.75 2i96 n LYS 39 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2i96 n HIS 40 N -0.83 0.16 -0.59 5.58 1.44 -1.25 -4.62 115.22 115.11 2i96 n HIS 40 Ca 0.15 -0.08 -0.03 0.00 -2.01 0.00 0.00 57.72 55.76 2i96 n HIS 40 Cb 0.07 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.14 2i96 n HIS 40 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2i96 n ASN 41 N 0.93 5.16 -4.15 4.39 6.94 -1.00 -4.04 115.26 123.49 2i96 n ASN 41 Ca 0.17 -2.39 -0.10 0.00 -0.02 0.00 0.00 54.58 52.24 2i96 n ASN 41 Cb 0.50 -1.16 -0.10 0.00 -2.36 0.00 0.00 39.78 36.66 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2i96 s HIS 42 N 0.29 0.88 0.25 -2.53 -3.43 -1.26 -5.03 115.29 104.46 2i96 s HIS 42 Ca 0.15 -1.22 -0.02 0.00 -0.80 0.00 0.00 55.06 53.17 2i96 s HIS 42 Cb 0.07 -0.49 0.53 0.00 -1.43 0.00 0.00 32.58 31.26 2i96 s HIS 42 CO 0.00 -0.49 1.34 0.45 -2.00 0.00 0.00 174.74 174.04 2i96 n SER 43 N -0.10 -0.20 0.04 7.38 2.88 -1.26 -0.56 113.62 121.80 2i96 n SER 43 Ca -0.06 1.47 0.07 0.00 -1.33 0.00 0.00 58.87 59.02 2i96 n SER 43 Cb 0.64 -0.49 0.30 0.00 -0.75 0.00 0.00 64.21 63.90 2i96 n SER 43 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2i96 n LYS 44 N -5.31 0.05 -3.91 -1.46 4.01 -1.26 -4.81 118.16 105.47 2i96 n LYS 44 Ca 0.17 0.36 -0.08 0.00 -0.51 0.00 0.00 58.31 58.25 2i96 n LYS 44 Cb 0.55 -1.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 2i96 n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2i96 s SER 45 N -3.31 -0.13 -0.31 4.39 0.01 0.28 -5.08 113.70 109.54 2i96 s SER 45 Ca 0.04 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.54 2i96 s SER 45 Cb 0.07 0.69 0.17 0.00 0.21 0.00 0.00 66.02 67.17 2i96 s SER 45 CO 0.23 -1.31 0.48 -0.89 0.41 0.00 0.00 173.24 172.16 2i96 s THR 46 N -3.75 -0.75 0.29 1.44 2.01 -1.26 -4.06 115.64 109.57 2i96 s THR 46 Ca 0.16 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.00 2i96 s THR 46 Cb -0.04 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2i96 s THR 46 CO 0.09 -0.21 0.10 0.26 -0.69 0.00 0.00 174.62 174.17 2i96 s TRP 47 N 2.44 2.78 0.20 4.92 0.51 -1.26 -1.44 118.94 127.10 2i96 s TRP 47 Ca 0.11 -0.27 -0.04 0.00 -2.12 0.00 0.00 56.10 53.78 2i96 s TRP 47 Cb -0.11 -1.42 0.02 0.00 -0.81 0.00 0.00 33.47 31.15 2i96 s TRP 47 CO -0.24 0.48 0.35 1.47 -0.51 0.00 0.00 176.95 178.50 2i96 n LEU 48 N -1.06 0.00 -4.15 2.99 -0.00 -0.50 -1.56 117.00 112.72 2i96 n LEU 48 Ca -0.05 -1.50 -0.14 0.00 -0.00 0.00 0.00 56.01 54.33 2i96 n LEU 48 Cb 0.60 1.74 -0.11 0.00 -0.00 0.00 0.00 43.42 45.64 2i96 n LEU 48 CO 0.42 -0.41 -0.41 -0.63 -0.00 0.00 0.00 177.39 176.36 2i96 s ILE 49 N -2.58 0.82 0.00 1.47 1.01 0.78 0.30 121.20 123.00 2i96 s ILE 49 Ca 0.12 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.22 2i96 s ILE 49 Cb -0.02 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.21 2i96 s ILE 49 CO 0.09 -0.56 0.00 0.18 0.00 0.00 0.00 174.94 174.65 2i96 n LEU 50 N 0.67 1.99 0.00 2.97 4.77 -1.21 0.07 117.00 126.26 2i96 n LEU 50 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2i96 n LEU 50 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2i96 n LEU 50 CO 0.26 0.33 -0.02 1.41 -1.33 0.00 0.00 177.39 178.04 2i96 n HIS 51 N -2.26 0.00 -0.43 -1.77 8.25 -1.26 -4.21 115.22 113.54 2i96 n HIS 51 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2i96 n HIS 51 Cb 0.45 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2i96 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2i96 n HIS 52 N -2.13 0.00 -4.89 4.41 1.44 -1.26 -5.01 115.22 107.78 2i96 n HIS 52 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 2i96 n HIS 52 Cb 0.02 0.07 -0.13 0.00 0.12 0.00 0.00 29.99 30.06 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2i96 s LYS 53 N 0.00 2.56 0.01 -1.40 1.02 -1.26 -3.22 119.74 117.45 2i96 s LYS 53 Ca 0.00 -0.70 -0.26 0.00 0.02 0.00 0.00 55.97 55.03 2i96 s LYS 53 Cb 0.00 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2i96 s LYS 53 CO 0.00 0.59 0.81 0.54 -0.92 0.00 0.00 175.35 176.37 2i96 s VAL 54 N -0.65 4.82 0.36 3.17 0.11 0.31 -3.30 120.40 125.23 2i96 s VAL 54 Ca 0.10 1.71 0.08 0.00 -2.93 0.00 0.00 61.98 60.94 2i96 s VAL 54 Cb -0.11 -4.16 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 2i96 s VAL 54 CO 0.01 0.29 0.12 -0.31 -3.33 0.00 0.00 175.10 171.88 2i96 s TYR 55 N 0.38 2.63 0.08 1.54 1.51 0.15 -1.26 117.35 122.37 2i96 s TYR 55 Ca 0.42 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 2i96 s TYR 55 Cb -0.20 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 2i96 s TYR 55 CO 0.23 0.32 -0.13 0.16 -1.11 0.00 0.00 175.55 175.03 2i96 s ASP 56 N -3.83 1.60 -0.06 2.29 -4.77 -0.88 -1.40 116.67 109.61 2i96 s ASP 56 Ca 0.38 -0.66 0.17 0.00 -3.30 0.00 0.00 52.55 49.14 2i96 s ASP 56 Cb 0.00 -0.03 0.33 0.00 -1.09 0.00 0.00 42.92 42.12 2i96 s ASP 56 CO 0.22 -0.12 1.15 0.18 0.70 0.00 0.00 175.17 177.29 2i96 n LEU 57 N 1.11 1.31 -0.30 2.11 4.77 -0.52 -4.88 117.00 120.60 2i96 n LEU 57 Ca -0.20 -2.33 0.14 0.00 -0.03 0.00 0.00 56.01 53.58 2i96 n LEU 57 Cb 0.55 -0.16 0.37 0.00 -2.33 0.00 0.00 43.42 41.85 2i96 n LEU 57 CO 0.23 0.67 1.22 0.71 -1.33 0.00 0.00 177.39 178.89 2i96 h THR 58 N 4.99 0.76 0.00 -5.08 1.35 -1.96 0.26 112.91 113.24 2i96 h THR 58 Ca -0.11 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 2i96 h THR 58 Cb 1.51 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2i96 h THR 58 CO 0.05 0.13 -1.89 0.29 -0.25 0.00 0.00 175.52 173.85 2i96 n LYS 59 N -4.62 0.60 0.12 4.72 4.76 -1.26 -4.50 118.16 117.98 2i96 n LYS 59 Ca 0.20 -0.17 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 2i96 n LYS 59 Cb 0.55 -1.45 0.46 0.00 -1.84 0.00 0.00 35.03 32.75 2i96 n LYS 59 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2i96 n PHE 60 N -2.18 0.85 -0.15 2.13 7.35 0.73 -3.17 117.46 123.01 2i96 n PHE 60 Ca -0.05 0.30 0.24 0.00 -0.76 0.00 0.00 57.45 57.19 2i96 n PHE 60 Cb 0.52 -0.99 0.66 0.00 0.35 0.00 0.00 39.48 40.03 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 0.10 0.00 -2.13 3.38 -1.22 0.19 115.31 115.64 2i96 h LEU 61 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2i96 h LEU 61 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2i96 h LEU 61 CO 0.00 0.04 -0.64 -0.33 0.09 0.00 0.00 178.44 177.60 2i96 h GLU 62 N 0.10 0.00 0.00 1.13 5.08 -1.85 -3.37 114.58 115.67 2i96 h GLU 62 Ca 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2i96 h GLU 62 Cb 1.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2i96 h GLU 62 CO -0.05 0.00 -1.49 -1.91 -1.00 0.00 0.00 179.01 174.56 2i96 n GLU 63 N -2.35 0.50 -2.12 2.33 2.13 0.36 -4.95 120.64 116.53 2i96 n GLU 63 Ca 0.03 -0.09 -0.42 0.00 0.66 0.00 0.00 57.16 57.33 2i96 n GLU 63 Cb 0.48 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.91 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2i96 s HIS 64 N -2.68 2.41 0.26 4.31 2.46 0.41 -4.91 115.29 117.54 2i96 s HIS 64 Ca -0.04 0.51 0.30 0.00 0.47 0.00 0.00 55.06 56.29 2i96 s HIS 64 Cb 0.06 -3.79 1.34 0.00 -0.13 0.00 0.00 32.58 30.07 2i96 s HIS 64 CO 0.43 -3.14 1.99 -1.00 -2.47 0.00 0.00 174.74 170.55 2i96 h PRO 65 N 8.71 0.00 -1.68 2.88 0.13 -1.92 -3.33 132.00 136.78 2i96 h PRO 65 Ca -0.37 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 2i96 h PRO 65 Cb 1.17 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.95 2i96 h PRO 65 CO 0.94 0.11 -1.02 0.41 -0.23 0.00 0.00 178.00 178.21 2i96 n GLY 66 N -0.24 2.53 0.00 1.56 0.00 -1.26 -5.03 105.19 102.74 2i96 n GLY 66 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.26 0.60 0.76 -0.02 0.00 -1.25 -5.02 105.19 101.52 2i96 n GLY 67 Ca 0.20 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 0.04 -0.04 1.61 2.13 -1.26 -4.72 120.64 118.39 2i96 n GLU 68 Ca 0.00 0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 2i96 n GLU 68 Cb 0.00 -0.31 -0.07 0.00 0.27 0.00 0.00 31.44 31.34 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 -0.07 0.77 0.00 5.31 3.07 -1.99 -3.28 114.58 118.38 2i96 h GLU 69 Ca 0.00 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 2i96 h GLU 69 Cb 0.07 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2i96 h GLU 69 CO 0.00 1.20 0.00 1.33 -1.40 0.00 0.00 179.01 180.14 2i96 n VAL 70 N -4.02 0.94 0.10 3.13 0.24 -1.26 -1.48 118.33 115.98 2i96 n VAL 70 Ca -0.07 0.26 -0.03 0.00 -2.04 0.00 0.00 64.34 62.46 2i96 n VAL 70 Cb 0.68 -1.11 0.16 0.00 -1.47 0.00 0.00 33.84 32.09 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2i96 h LEU 71 N 0.00 0.19 -0.94 1.34 3.38 -1.85 -3.31 115.31 114.13 2i96 h LEU 71 Ca 0.00 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 57.98 2i96 h LEU 71 Cb 0.29 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 2i96 h LEU 71 CO 0.00 0.72 0.57 0.03 0.09 0.00 0.00 178.44 179.85 2i96 h ARG 72 N 0.13 0.87 0.00 1.13 3.08 -1.46 0.35 114.38 118.49 2i96 h ARG 72 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2i96 h ARG 72 Cb 1.05 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2i96 h ARG 72 CO 0.08 0.57 0.00 1.49 -1.07 0.00 0.00 179.97 181.05 2i96 h GLU 73 N 0.89 0.00 -0.01 0.04 4.81 -1.74 -2.62 114.58 115.95 2i96 h GLU 73 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2i96 h GLU 73 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2i96 h GLU 73 CO -0.28 0.00 -0.37 1.04 -0.73 0.00 0.00 179.01 178.68 2i96 n GLN 74 N -2.79 1.57 -1.75 1.92 1.13 -0.10 -4.80 117.38 112.56 2i96 n GLN 74 Ca 0.04 -0.85 -0.41 0.00 -1.94 0.00 0.00 57.00 53.83 2i96 n GLN 74 Cb 0.44 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2i96 n ALA 75 N -0.10 4.29 -1.00 -1.58 0.00 0.11 -4.15 120.51 118.08 2i96 n ALA 75 Ca 0.07 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2i96 n ALA 75 Cb 0.37 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.25 2i96 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i96 n GLY 76 N 4.58 -1.21 0.00 0.00 0.00 -0.60 -3.88 105.19 104.08 2i96 n GLY 76 Ca 0.50 0.54 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.13 2.32 3.79 -0.02 0.00 -1.26 -4.36 105.19 105.52 2i96 n GLY 77 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 2i96 n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i96 s ASP 78 N -0.67 6.66 0.00 1.61 -1.08 -1.26 -0.15 116.67 121.77 2i96 s ASP 78 Ca 0.00 1.97 0.03 0.00 -0.52 0.00 0.00 52.55 54.03 2i96 s ASP 78 Cb 0.00 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 38.93 2i96 s ASP 78 CO 0.00 -0.56 0.79 0.00 0.52 0.00 0.00 175.17 175.92 2i96 n ALA 79 N -0.37 2.32 0.28 3.66 0.00 0.11 -4.74 120.51 121.77 2i96 n ALA 79 Ca 0.06 -0.73 0.19 0.00 0.00 0.00 0.00 53.44 52.96 2i96 n ALA 79 Cb 0.51 -0.11 1.01 0.00 0.00 0.00 0.00 19.45 20.86 2i96 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i96 h THR 80 N 0.59 0.00 0.16 0.00 1.03 -1.74 -1.22 112.91 111.73 2i96 h THR 80 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 2i96 h THR 80 Cb 0.30 0.82 -0.03 0.00 -1.07 0.00 0.00 68.15 68.17 2i96 h THR 80 CO 0.00 0.00 -0.26 -0.33 -0.01 0.00 0.00 175.52 174.92 2i96 h GLU 81 N 0.00 -0.48 0.00 0.00 4.39 -1.92 -1.46 114.58 115.11 2i96 h GLU 81 Ca 0.00 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2i96 h GLU 81 Cb 0.03 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2i96 h GLU 81 CO 0.00 -0.32 -0.36 -0.97 -1.16 0.00 0.00 179.01 176.20 2i96 h ASN 82 N -0.50 0.00 0.40 1.42 -1.24 -1.65 -3.14 115.58 110.87 2i96 h ASN 82 Ca 0.02 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 2i96 h ASN 82 Cb 0.51 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 2i96 h ASN 82 CO -0.13 0.33 -0.14 0.15 -1.29 0.00 0.00 177.43 176.36 2i96 h PHE 83 N 0.00 0.00 0.00 0.67 3.57 -0.99 -1.68 116.94 118.51 2i96 h PHE 83 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2i96 h PHE 83 Cb 1.26 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 2i96 h PHE 83 CO 0.00 0.14 -0.12 0.93 -2.23 0.00 0.00 178.31 177.03 2i96 h GLU 84 N 0.00 0.00 0.12 1.11 4.39 -1.22 -3.28 114.58 115.70 2i96 h GLU 84 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2i96 h GLU 84 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2i96 h GLU 84 CO 0.02 0.12 -1.68 0.22 -1.16 0.00 0.00 179.01 176.53 2i96 h ASP 85 N 0.00 0.38 -3.42 1.42 3.58 -1.45 -3.42 116.42 113.51 2i96 h ASP 85 Ca -0.00 -0.62 -0.72 0.00 0.42 0.00 0.00 57.03 56.11 2i96 h ASP 85 Cb 1.02 -0.12 -0.29 0.00 1.72 0.00 0.00 39.33 41.66 2i96 h ASP 85 CO 0.02 1.53 -0.46 -0.69 -2.88 0.00 0.00 179.24 176.76 2i96 s VAL 86 N -2.60 4.17 0.38 2.25 1.01 -0.96 -4.99 120.40 119.65 2i96 s VAL 86 Ca -0.12 -1.52 0.16 0.00 0.00 0.00 0.00 61.98 60.49 2i96 s VAL 86 Cb 0.07 -3.61 0.37 0.00 0.00 0.00 0.00 36.38 33.21 2i96 s VAL 86 CO 0.83 -0.57 1.77 1.23 0.00 0.00 0.00 175.10 178.36 2i96 h GLY 87 N 8.40 1.36 -4.91 4.51 0.00 -1.82 -3.44 103.07 107.17 2i96 h GLY 87 Ca -0.22 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2i96 h GLY 87 CO 0.78 -0.13 -1.49 1.42 0.00 0.00 0.00 176.54 177.12 2i96 n HIS 88 N -4.67 -4.54 -0.85 5.60 8.25 -1.26 -5.01 115.22 112.74 2i96 n HIS 88 Ca 0.25 2.66 -0.15 0.00 -0.26 0.00 0.00 57.72 60.22 2i96 n HIS 88 Cb 0.81 -3.90 0.12 0.00 1.12 0.00 0.00 29.99 28.14 2i96 n HIS 88 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2i96 n SER 89 N 1.72 -1.37 -0.33 0.41 3.41 -1.26 -4.78 113.62 111.41 2i96 n SER 89 Ca -0.35 -0.87 0.20 0.00 -0.26 0.00 0.00 58.87 57.59 2i96 n SER 89 Cb 0.54 -0.50 0.46 0.00 -0.26 0.00 0.00 64.21 64.45 2i96 n SER 89 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2i96 h THR 90 N -2.03 0.54 -0.46 6.66 2.02 -2.00 -1.97 112.91 115.68 2i96 h THR 90 Ca -0.20 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2i96 h THR 90 Cb 0.62 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 2i96 h THR 90 CO 0.13 0.09 -0.50 0.44 0.37 0.00 0.00 175.52 176.05 2i96 h ASP 91 N 0.48 -1.69 0.37 4.18 5.19 -2.01 -1.14 116.42 121.81 2i96 h ASP 91 Ca 0.61 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 57.26 2i96 h ASP 91 Cb 1.37 0.72 0.00 0.00 0.18 0.00 0.00 39.33 41.60 2i96 h ASP 91 CO -0.35 -0.38 0.00 0.00 -3.12 0.00 0.00 179.24 175.39 2i96 n ALA 92 N -3.10 2.05 1.06 3.45 0.00 -0.74 -0.42 120.51 122.81 2i96 n ALA 92 Ca -0.01 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2i96 n ALA 92 Cb 0.34 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.60 2i96 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i96 n ARG 93 N -1.28 0.42 -0.04 0.00 1.74 -0.44 -3.31 116.66 113.75 2i96 n ARG 93 Ca 0.09 -0.31 -0.06 0.00 -0.77 0.00 0.00 57.85 56.80 2i96 n ARG 93 Cb 0.16 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2i96 n ARG 93 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2i96 n GLU 94 N -1.02 0.18 -0.37 5.56 4.07 -0.68 -4.70 120.64 123.67 2i96 n GLU 94 Ca 0.07 0.05 -0.01 0.00 -0.06 0.00 0.00 57.16 57.22 2i96 n GLU 94 Cb 0.36 -1.02 0.13 0.00 -0.06 0.00 0.00 31.44 30.85 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 2i96 h MET 95 N -0.10 1.26 0.00 5.31 4.05 -0.90 -3.17 114.93 121.38 2i96 h MET 95 Ca -0.18 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2i96 h MET 95 Cb 1.23 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2i96 h MET 95 CO -0.06 0.83 0.00 0.66 0.23 0.00 0.00 176.91 178.57 2i96 h SER 96 N 1.30 0.00 0.12 1.39 4.64 -1.78 -3.31 113.55 115.91 2i96 h SER 96 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2i96 h SER 96 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2i96 h SER 96 CO -0.11 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 175.89 2i96 h LYS 97 N 0.00 0.00 -0.13 4.77 1.57 -1.85 0.22 116.57 121.15 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2i96 h LYS 97 CO 0.00 0.07 0.00 -2.37 -0.57 0.00 0.00 179.45 176.58 2i96 n THR 98 N -4.10 0.16 0.85 -0.16 5.66 -1.24 -3.30 114.28 112.15 2i96 n THR 98 Ca -0.03 -0.35 0.09 0.00 -3.05 0.00 0.00 64.05 60.72 2i96 n THR 98 Cb 0.16 0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 69.38 2i96 n THR 98 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2i96 n PHE 99 N 0.38 0.00 -2.29 1.09 3.72 0.78 -4.82 117.46 116.32 2i96 n PHE 99 Ca 0.17 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.21 2i96 n PHE 99 Cb 0.36 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.31 3.62 -0.40 4.37 1.01 -1.15 -2.08 121.20 124.25 2i96 s ILE 100 Ca 0.14 -0.26 0.24 0.00 0.00 0.00 0.00 60.65 60.77 2i96 s ILE 100 Cb 0.15 -4.47 0.34 0.00 0.01 0.00 0.00 42.46 38.49 2i96 s ILE 100 CO 0.55 -1.40 1.64 0.16 0.00 0.00 0.00 174.94 175.89 2i96 h ILE 101 N 6.85 0.00 0.00 2.92 3.07 -1.50 -3.49 117.51 125.36 2i96 h ILE 101 Ca 0.00 -0.95 0.00 0.00 1.55 0.00 0.00 64.86 65.46 2i96 h ILE 101 Cb 1.04 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 2i96 h ILE 101 CO 1.29 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 179.00 2i96 n GLY 102 N 1.02 -0.80 2.72 0.16 0.00 -1.18 -4.86 105.19 102.25 2i96 n GLY 102 Ca 0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.82 -1.54 1.61 1.02 0.19 -0.53 120.64 122.22 2i96 n GLU 103 Ca 0.00 -2.78 -0.30 0.00 -0.02 0.00 0.00 57.16 54.06 2i96 n GLU 103 Cb 0.00 1.17 0.19 0.00 -0.02 0.00 0.00 31.44 32.78 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 1.84 0.66 -4.62 1.43 -1.20 -0.94 118.68 115.85 2i96 s LEU 104 Ca 0.09 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 53.63 2i96 s LEU 104 Cb 0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2i96 s LEU 104 CO 0.07 -3.13 1.17 -2.28 0.23 0.00 0.00 176.35 172.40 2i96 s HIS 105 N -3.42 2.36 0.13 0.29 2.46 0.92 -4.13 115.29 113.91 2i96 s HIS 105 Ca 0.70 1.56 -0.04 0.00 0.47 0.00 0.00 55.06 57.75 2i96 s HIS 105 Cb -0.09 -3.36 0.21 0.00 -0.13 0.00 0.00 32.58 29.21 2i96 s HIS 105 CO 0.54 -2.14 0.75 -2.30 -2.47 0.00 0.00 174.74 169.13 2i96 n PRO 106 N -2.23 -0.05 0.01 2.88 -0.02 -1.26 -0.02 135.00 134.30 2i96 n PRO 106 Ca 0.12 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 2i96 n PRO 106 Cb 0.51 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.73 2i96 n PRO 106 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2i96 h ASP 107 N 0.00 0.05 1.03 2.55 3.58 -1.98 -3.26 116.42 118.39 2i96 h ASP 107 Ca 0.23 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 2i96 h ASP 107 Cb 0.35 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2i96 h ASP 107 CO -0.50 1.07 -0.43 0.44 -2.88 0.00 0.00 179.24 176.95 2i96 h ASP 108 N 0.01 0.00 -2.65 2.28 3.32 -1.21 -3.22 116.42 114.95 2i96 h ASP 108 Ca -0.22 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.27 2i96 h ASP 108 Cb 1.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 2i96 h ASP 108 CO 0.10 0.43 1.11 -0.13 -1.72 0.00 0.00 179.24 179.03 2i96 s ARG 109 N -3.40 4.01 0.00 3.56 0.52 0.97 -4.47 118.95 120.14 2i96 s ARG 109 Ca 0.01 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 2i96 s ARG 109 Cb 0.10 -4.01 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2i96 s ARG 109 CO 0.71 -1.04 0.00 -2.30 0.02 0.00 0.00 175.30 172.69 2i96 n PRO 110 N 7.35 0.00 0.00 3.54 -0.02 -1.26 -4.67 135.00 139.94 2i96 n PRO 110 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2i96 n PRO 110 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2i96 n PRO 110 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2i96 n LYS 111 N 0.00 0.00 0.00 -0.52 4.76 -1.22 -4.63 118.16 116.55 2i96 n LYS 111 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2i96 n LYS 111 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2i96 n LYS 111 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2i96 n LEU 112 N 0.00 0.00 0.00 -0.35 7.94 -1.26 -4.43 117.00 118.89 2i96 n LEU 112 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2i96 n LEU 112 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2i96 n LEU 112 CO 0.00 0.00 0.00 -3.20 -1.11 0.00 0.00 177.39 173.08 2i96 n ASN 113 N -0.42 0.00 -0.55 1.96 2.85 -1.26 -5.18 115.26 112.66 2i96 n ASN 113 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2i96 n ASN 113 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 2i96 n ASN 113 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i96 n LYS 114 N -0.59 -1.19 -2.01 1.20 5.02 -1.26 -4.81 118.16 114.52 2i96 n LYS 114 Ca 0.00 0.88 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 2i96 n LYS 114 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 2i96 n LYS 114 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2i96 s PRO 115 N -2.44 4.16 0.96 1.97 0.02 -1.26 -5.02 135.00 133.39 2i96 s PRO 115 Ca 0.00 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 2i96 s PRO 115 Cb 0.00 -2.94 0.16 0.00 0.02 0.00 0.00 34.50 31.74 2i96 s PRO 115 CO 0.00 -0.38 1.10 -1.25 -0.33 0.00 0.00 177.00 176.14 2i96 s PRO 116 N -2.01 0.76 -0.20 5.54 0.04 -1.26 -5.02 135.00 132.84 2i96 s PRO 116 Ca 0.52 0.53 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2i96 s PRO 116 Cb -0.41 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 2i96 s PRO 116 CO 0.55 -2.51 -0.15 -0.85 0.04 0.00 0.00 177.00 174.07 2i96 n GLU 117 N -4.02 0.64 0.00 4.56 0.28 -1.26 -4.72 120.64 116.11 2i96 n GLU 117 Ca 0.06 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 2i96 n GLU 117 Cb 0.57 -1.42 0.28 0.00 1.43 0.00 0.00 31.44 32.30 2i96 n GLU 117 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2i96 n THR 118 N -3.04 0.00 -3.88 3.84 -2.24 -1.26 -4.96 114.28 102.75 2i96 n THR 118 Ca -0.36 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2i96 n THR 118 Cb 0.91 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2i96 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i96 n LEU 119 N -0.56 0.00 -3.86 3.22 -0.00 -1.26 -5.17 117.00 109.36 2i96 n LEU 119 Ca 0.11 -2.65 -0.16 0.00 -0.00 0.00 0.00 56.01 53.30 2i96 n LEU 119 Cb 0.37 3.33 -0.16 0.00 -0.00 0.00 0.00 43.42 46.97 2i96 n LEU 119 CO 0.27 -0.78 -0.38 -0.51 -0.00 0.00 0.00 177.39 175.99 2i96 s ILE 120 N -2.37 0.24 -0.07 1.47 2.07 -1.26 -4.81 121.20 116.47 2i96 s ILE 120 Ca 0.20 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 2i96 s ILE 120 Cb -0.03 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.36 2i96 s ILE 120 CO 0.15 0.13 0.66 1.07 -1.91 0.00 0.00 174.94 175.04 2i96 n THR 121 N 3.73 0.00 -4.82 4.00 5.66 -1.26 -5.14 114.28 116.45 2i96 n THR 121 Ca -0.22 -0.21 -0.33 0.00 -3.05 0.00 0.00 64.05 60.24 2i96 n THR 121 Cb 0.53 0.47 -0.13 0.00 -1.55 0.00 0.00 70.33 69.65 2i96 n THR 121 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2i96 s THR 122 N 0.03 3.15 -0.40 1.09 -4.23 -1.26 -5.07 115.64 108.95 2i96 s THR 122 Ca 0.02 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 2i96 s THR 122 Cb 0.09 -2.27 0.18 0.00 1.34 0.00 0.00 72.50 71.85 2i96 s THR 122 CO -0.03 0.57 0.62 -0.51 -0.54 0.00 0.00 174.62 174.73 2i96 s ILE 123 N -0.40 -0.98 0.05 2.99 2.07 -1.26 -4.53 121.20 119.14 2i96 s ILE 123 Ca 0.05 -0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 59.05 2i96 s ILE 123 Cb -0.12 -0.09 -0.10 0.00 0.13 0.00 0.00 42.46 42.28 2i96 s ILE 123 CO 0.02 -0.02 1.32 -0.78 -1.91 0.00 0.00 174.94 173.57 2i96 h ASP 124 N 7.07 -0.78 0.00 4.50 3.58 -1.93 -3.47 116.42 125.38 2i96 h ASP 124 Ca 0.05 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2i96 h ASP 124 Cb 1.18 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.48 2i96 h ASP 124 CO 0.11 -0.39 0.00 -0.24 -2.88 0.00 0.00 179.24 175.83 2i96 n SER 125 N -4.12 -1.95 -3.96 2.28 2.88 -1.26 -5.02 113.62 102.47 2i96 n SER 125 Ca -0.07 0.63 -0.39 0.00 -1.33 0.00 0.00 58.87 57.70 2i96 n SER 125 Cb 0.27 2.05 -0.02 0.00 -0.75 0.00 0.00 64.21 65.76 2i96 n SER 125 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i96 n SER 126 N -3.11 5.39 -3.16 -3.46 7.64 -1.26 -4.85 113.62 110.81 2i96 n SER 126 Ca 0.00 -3.32 -0.06 0.00 1.01 0.00 0.00 58.87 56.50 2i96 n SER 126 Cb 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i96 n SER 127 N 1.60 -7.27 0.00 6.43 7.64 -1.26 -5.17 113.62 115.59 2i96 n SER 127 Ca 0.26 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2i96 n SER 127 Cb 0.36 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79