#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crp s THR 2 N 0.00 1.85 -0.31 3.17 2.01 -1.26 -4.93 115.64 116.17 1crp s THR 2 Ca 0.00 -1.87 0.02 0.00 0.31 0.00 0.00 61.69 60.16 1crp s THR 2 Cb 0.00 -2.71 0.09 0.00 0.01 0.00 0.00 72.50 69.89 1crp s THR 2 CO 0.00 0.00 0.03 -0.70 -0.69 0.00 0.00 174.62 173.26 1crp s GLU 3 N -3.86 1.40 0.33 4.92 2.12 -1.26 -1.27 118.70 121.08 1crp s GLU 3 Ca 0.29 -1.49 0.08 0.00 0.36 0.00 0.00 54.97 54.21 1crp s GLU 3 Cb 0.05 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 1crp s GLU 3 CO 0.16 -0.86 0.21 0.71 -0.54 0.00 0.00 175.26 174.94 1crp s TYR 4 N 1.17 2.81 0.00 5.30 2.02 -1.04 -5.01 117.35 122.60 1crp s TYR 4 Ca 0.06 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1crp s TYR 4 Cb -0.19 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1crp s TYR 4 CO -0.11 0.28 -0.24 0.21 -1.57 0.00 0.00 175.55 174.12 1crp s LYS 5 N -3.91 1.81 -0.86 -0.62 2.20 -1.26 -0.93 119.74 116.18 1crp s LYS 5 Ca 0.39 -0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1crp s LYS 5 Cb -0.04 -1.81 0.21 0.00 -1.51 0.00 0.00 37.83 34.67 1crp s LYS 5 CO 0.24 0.49 0.73 -0.51 -0.36 0.00 0.00 175.35 175.94 1crp s LEU 6 N -0.74 5.41 -0.54 5.43 1.43 -1.06 -2.59 118.68 126.02 1crp s LEU 6 Ca 0.09 -3.75 -0.26 0.00 -1.03 0.00 0.00 54.13 49.18 1crp s LEU 6 Cb -0.09 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 1crp s LEU 6 CO -0.00 -0.16 2.42 0.52 0.23 0.00 0.00 176.35 179.36 1crp n VAL 7 N 2.26 -0.08 -3.39 -1.59 0.31 0.20 -2.92 118.33 113.13 1crp n VAL 7 Ca 0.21 -0.76 -0.38 0.00 -0.01 0.00 0.00 64.34 63.40 1crp n VAL 7 Cb 0.37 -2.67 -0.06 0.00 -0.91 0.00 0.00 33.84 30.56 1crp n VAL 7 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1crp s VAL 8 N 12.53 4.97 0.12 2.52 1.01 -1.10 -2.15 120.40 138.30 1crp s VAL 8 Ca 0.98 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 1crp s VAL 8 Cb -0.19 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1crp s VAL 8 CO 0.24 0.52 0.39 -0.69 0.00 0.00 0.00 175.10 175.57 1crp s VAL 9 N -0.76 0.07 0.00 2.92 1.01 -1.13 -4.71 120.40 117.80 1crp s VAL 9 Ca 0.26 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1crp s VAL 9 Cb -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1crp s VAL 9 CO 0.15 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1crp n GLY 10 N -0.17 0.19 1.37 4.51 0.00 -1.26 -0.84 105.19 108.99 1crp n GLY 10 Ca -0.16 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 45.99 1crp n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crp n ALA 11 N 0.00 -3.65 -3.80 4.61 0.00 -1.26 -4.45 120.51 111.96 1crp n ALA 11 Ca 0.00 0.68 -0.33 0.00 0.00 0.00 0.00 53.44 53.80 1crp n ALA 11 Cb 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.95 1crp n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crp s GLY 12 N -6.88 2.74 0.00 0.00 0.00 -1.26 -4.53 107.32 97.40 1crp s GLY 12 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 44.72 41.16 1crp s GLY 12 CO 0.00 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.81 1crp n GLY 13 N 2.72 0.40 0.41 0.20 0.00 -1.26 -4.99 105.19 102.67 1crp n GLY 13 Ca 0.13 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.37 1crp n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1crp h VAL 14 N 0.00 0.31 0.00 1.61 -1.51 -1.79 -3.43 116.25 111.43 1crp h VAL 14 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1crp h VAL 14 Cb 0.00 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1crp h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1crp n GLY 15 N -1.52 1.95 0.12 5.19 0.00 -1.26 -4.62 105.19 105.05 1crp n GLY 15 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1crp n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1crp h LYS 16 N 0.00 -0.21 0.59 1.61 1.57 -1.91 -2.69 116.57 115.53 1crp h LYS 16 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1crp h LYS 16 Cb 0.00 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1crp h LYS 16 CO 0.00 -0.02 -0.28 0.77 -0.57 0.00 0.00 179.45 179.35 1crp h SER 17 N -0.35 -0.67 -0.68 0.86 0.02 -1.97 -2.88 113.55 107.88 1crp h SER 17 Ca -0.02 -0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1crp h SER 17 Cb 0.28 0.17 -0.13 0.00 0.14 0.00 0.00 62.40 62.86 1crp h SER 17 CO 0.04 -0.31 -0.28 0.00 -1.14 0.00 0.00 176.83 175.14 1crp h ALA 18 N -0.85 0.19 -0.36 3.77 0.00 -1.84 0.15 119.26 120.33 1crp h ALA 18 Ca -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1crp h ALA 18 Cb 0.66 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1crp h ALA 18 CO 0.13 -0.56 0.07 1.37 0.00 0.00 0.00 179.25 180.26 1crp h LEU 19 N -0.08 0.49 0.47 0.00 8.10 -1.55 -1.51 115.31 121.23 1crp h LEU 19 Ca 0.29 -0.07 -0.02 0.00 0.11 0.00 0.00 57.88 58.19 1crp h LEU 19 Cb 0.55 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1crp h LEU 19 CO -0.74 0.51 -0.23 0.74 -4.11 0.00 0.00 178.44 174.61 1crp h THR 20 N 0.52 0.00 -0.70 0.15 2.02 -0.51 -2.63 112.91 111.76 1crp h THR 20 Ca 0.12 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 67.45 1crp h THR 20 Cb 0.23 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1crp h THR 20 CO -0.00 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.91 1crp h ILE 21 N -0.69 0.41 0.69 3.11 2.04 -1.24 -1.85 117.51 119.97 1crp h ILE 21 Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1crp h ILE 21 Cb 0.49 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1crp h ILE 21 CO 0.11 0.00 -0.33 -0.61 0.00 0.00 0.00 178.15 177.32 1crp h GLN 22 N 0.00 -0.89 0.00 2.37 5.75 -0.91 0.96 115.11 122.39 1crp h GLN 22 Ca 0.33 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1crp h GLN 22 Cb 1.57 0.20 0.00 0.00 1.07 0.00 0.00 27.48 30.32 1crp h GLN 22 CO -0.00 -0.57 0.00 1.25 -2.65 0.00 0.00 178.83 176.86 1crp h LEU 23 N -1.03 0.00 0.00 -2.39 6.46 -1.13 -2.23 115.31 114.99 1crp h LEU 23 Ca -0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1crp h LEU 23 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1crp h LEU 23 CO 0.16 0.00 -0.88 -0.38 -0.62 0.00 0.00 178.44 176.72 1crp n ILE 24 N -2.91 0.10 0.00 4.05 5.41 -0.99 -4.92 119.36 120.11 1crp n ILE 24 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1crp n ILE 24 Cb 0.18 0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 1crp n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1crp n GLN 25 N -1.77 0.00 0.00 0.38 1.13 0.30 -5.06 117.38 112.36 1crp n GLN 25 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1crp n GLN 25 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 1crp n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1crp n ASN 26 N 0.00 0.00 -2.76 1.08 4.05 -1.20 -4.99 115.26 111.44 1crp n ASN 26 Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1crp n ASN 26 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 1crp n ASN 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1crp n HIS 27 N 0.00 -1.30 -4.94 1.20 1.44 -1.26 -5.12 115.22 105.23 1crp n HIS 27 Ca 0.00 -2.08 -0.32 0.00 -2.01 0.00 0.00 57.72 53.31 1crp n HIS 27 Cb 0.00 0.47 -0.17 0.00 0.12 0.00 0.00 29.99 30.42 1crp n HIS 27 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1crp s PHE 28 N -3.18 2.62 -0.13 -1.40 5.36 -1.26 -4.53 117.98 115.45 1crp s PHE 28 Ca 0.26 -1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.03 1crp s PHE 28 Cb -0.01 -1.76 -0.01 0.00 -0.34 0.00 0.00 43.02 40.90 1crp s PHE 28 CO 0.18 -0.51 -0.13 0.14 -1.46 0.00 0.00 175.22 173.44 1crp s VAL 29 N 0.58 3.01 -0.23 3.12 -7.23 -1.26 -4.99 120.40 113.39 1crp s VAL 29 Ca -0.13 -0.67 0.14 0.00 -1.81 0.00 0.00 61.98 59.51 1crp s VAL 29 Cb -0.17 -2.26 0.69 0.00 0.56 0.00 0.00 36.38 35.20 1crp s VAL 29 CO 0.04 0.52 1.63 -0.90 -0.31 0.00 0.00 175.10 176.07 1crp n ASP 30 N 3.62 4.77 0.00 4.85 5.75 -1.26 -4.72 116.55 129.57 1crp n ASP 30 Ca -0.18 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.55 1crp n ASP 30 Cb 0.53 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1crp n ASP 30 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1crp n GLU 31 N -0.01 0.00 -1.46 0.11 0.28 -1.26 -5.04 120.64 113.27 1crp n GLU 31 Ca 0.28 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.99 1crp n GLU 31 Cb 1.11 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.97 1crp n GLU 31 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crp n TYR 32 N 0.00 1.99 -3.00 -1.84 9.36 -1.26 -4.89 117.16 117.52 1crp n TYR 32 Ca 0.00 -2.11 -0.04 0.00 3.32 0.00 0.00 57.90 59.06 1crp n TYR 32 Cb 0.00 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 1crp n TYR 32 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1crp n ASP 33 N 0.36 -7.20 0.09 2.98 8.00 -1.26 -4.77 116.55 114.75 1crp n ASP 33 Ca 0.48 0.79 0.08 0.00 0.71 0.00 0.00 54.79 56.85 1crp n ASP 33 Cb 0.50 -3.46 0.39 0.00 -0.02 0.00 0.00 41.12 38.54 1crp n ASP 33 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1crp n PRO 34 N 0.78 0.10 0.14 -0.24 -0.04 -1.26 -2.07 135.00 132.41 1crp n PRO 34 Ca 0.00 0.48 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 1crp n PRO 34 Cb 0.31 -1.76 0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1crp n PRO 34 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1crp h THR 35 N 0.00 0.45 -4.29 0.52 1.35 -1.87 -3.31 112.91 105.76 1crp h THR 35 Ca 0.00 -1.68 -0.50 0.00 -0.55 0.00 0.00 66.41 63.69 1crp h THR 35 Cb 0.15 2.12 0.05 0.00 -1.73 0.00 0.00 68.15 68.73 1crp h THR 35 CO 0.00 0.25 0.40 -0.63 -0.25 0.00 0.00 175.52 175.29 1crp s ILE 36 N -3.08 4.50 -0.29 6.82 1.01 -0.88 -4.49 121.20 124.78 1crp s ILE 36 Ca 0.03 0.97 -0.16 0.00 0.00 0.00 0.00 60.65 61.49 1crp s ILE 36 Cb 0.07 -3.73 0.16 0.00 0.01 0.00 0.00 42.46 38.97 1crp s ILE 36 CO 0.74 -0.91 1.00 -0.70 0.00 0.00 0.00 174.94 175.07 1crp s GLU 37 N -4.71 0.33 0.00 2.79 -6.30 -1.26 -4.66 118.70 104.89 1crp s GLU 37 Ca 0.57 0.65 0.00 0.00 -2.50 0.00 0.00 54.97 53.70 1crp s GLU 37 Cb -0.11 0.21 0.00 0.00 0.00 0.00 0.00 34.13 34.23 1crp s GLU 37 CO 0.45 -0.08 0.00 -0.25 0.02 0.00 0.00 175.26 175.40 1crp n ASP 38 N 4.16 0.00 -3.56 -1.70 8.00 -1.26 -5.07 116.55 117.12 1crp n ASP 38 Ca -0.15 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.29 1crp n ASP 38 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1crp n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1crp s SER 39 N 1.79 -0.24 -0.22 -2.24 1.04 -1.26 -4.86 113.70 107.70 1crp s SER 39 Ca 0.00 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 1crp s SER 39 Cb 0.00 0.27 0.12 0.00 0.10 0.00 0.00 66.02 66.51 1crp s SER 39 CO 0.00 -0.45 0.41 -0.31 0.98 0.00 0.00 173.24 173.87 1crp s TYR 40 N -2.78 -0.85 0.34 5.02 2.02 -0.71 -5.01 117.35 115.38 1crp s TYR 40 Ca 0.08 1.20 0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1crp s TYR 40 Cb -0.01 0.18 -0.06 0.00 -0.40 0.00 0.00 41.96 41.67 1crp s TYR 40 CO -0.06 -0.61 -0.05 1.03 -1.57 0.00 0.00 175.55 174.28 1crp s ARG 41 N 2.59 1.92 0.08 -0.62 3.00 -1.26 0.47 118.95 125.13 1crp s ARG 41 Ca 0.06 -1.87 -0.13 0.00 0.00 0.00 0.00 55.73 53.80 1crp s ARG 41 Cb -0.14 -1.79 0.02 0.00 0.00 0.00 0.00 34.95 33.04 1crp s ARG 41 CO -0.15 0.14 0.31 0.21 0.00 0.00 0.00 175.30 175.81 1crp s LYS 42 N -3.65 0.91 -0.45 3.54 2.47 -0.93 -4.89 119.74 116.74 1crp s LYS 42 Ca 0.33 -0.69 0.08 0.00 -1.56 0.00 0.00 55.97 54.13 1crp s LYS 42 Cb 0.01 0.39 0.40 0.00 -1.46 0.00 0.00 37.83 37.17 1crp s LYS 42 CO 0.18 -0.31 1.00 0.00 0.16 0.00 0.00 175.35 176.37 1crp n GLN 43 N 0.13 2.75 -1.70 4.03 10.64 -1.26 -1.66 117.38 130.31 1crp n GLN 43 Ca -0.17 -4.28 -0.30 0.00 -1.83 0.00 0.00 57.00 50.42 1crp n GLN 43 Cb 0.62 -2.02 0.21 0.00 -0.86 0.00 0.00 30.24 28.19 1crp n GLN 43 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1crp s VAL 44 N -4.53 1.87 0.20 -0.39 -7.23 -1.26 -4.82 120.40 104.24 1crp s VAL 44 Ca 0.44 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.66 1crp s VAL 44 Cb 0.37 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1crp s VAL 44 CO -0.13 0.00 0.21 -0.69 -0.31 0.00 0.00 175.10 174.18 1crp s VAL 45 N -3.69 4.73 -0.70 1.32 1.01 -1.26 -3.41 120.40 118.40 1crp s VAL 45 Ca 0.75 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1crp s VAL 45 Cb -0.04 -3.48 0.23 0.00 0.00 0.00 0.00 36.38 33.09 1crp s VAL 45 CO 0.54 -0.20 0.71 -0.38 0.00 0.00 0.00 175.10 175.77 1crp n ILE 46 N -0.75 2.35 -1.31 2.22 2.08 -0.52 -4.82 119.36 118.61 1crp n ILE 46 Ca -0.08 -5.15 -0.11 0.00 0.56 0.00 0.00 62.75 57.97 1crp n ILE 46 Cb 0.56 -2.14 -0.05 0.00 -0.75 0.00 0.00 39.64 37.26 1crp n ILE 46 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1crp n ASP 47 N 1.30 -5.71 0.00 4.38 8.00 -1.26 -2.90 116.55 120.35 1crp n ASP 47 Ca 0.26 0.26 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1crp n ASP 47 Cb 0.38 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 1crp n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1crp n GLY 48 N 0.23 0.68 2.89 0.44 0.00 -1.26 -5.11 105.19 103.06 1crp n GLY 48 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1crp n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1crp s GLU 49 N 0.00 1.40 0.69 1.61 -1.05 -1.14 -5.12 118.70 115.09 1crp s GLU 49 Ca 0.00 -0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 54.06 1crp s GLU 49 Cb 0.00 -2.18 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 1crp s GLU 49 CO 0.00 -0.50 1.09 0.99 0.95 0.00 0.00 175.26 177.79 1crp s THR 50 N 1.59 3.49 -0.30 1.83 2.01 -1.26 -1.45 115.64 121.56 1crp s THR 50 Ca -0.01 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1crp s THR 50 Cb -0.16 -3.13 0.12 0.00 0.01 0.00 0.00 72.50 69.34 1crp s THR 50 CO -0.07 -0.53 0.67 0.00 -0.69 0.00 0.00 174.62 173.99 1crp s LEU 52 N 2.60 3.26 0.46 0.00 2.96 -0.40 -4.44 118.68 123.13 1crp s LEU 52 Ca -0.07 0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1crp s LEU 52 Cb -0.10 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1crp s LEU 52 CO -0.19 -2.50 0.85 -0.76 -1.32 0.00 0.00 176.35 172.43 1crp s LEU 53 N 9.50 3.69 -0.61 -0.68 1.02 -0.66 -2.51 118.68 128.43 1crp s LEU 53 Ca 0.69 1.23 0.05 0.00 0.02 0.00 0.00 54.13 56.13 1crp s LEU 53 Cb -0.12 -4.15 0.19 0.00 0.02 0.00 0.00 46.19 42.12 1crp s LEU 53 CO 0.16 -0.52 0.49 -0.67 0.02 0.00 0.00 176.35 175.84 1crp n ASP 54 N -1.66 2.07 -4.67 2.29 -0.08 -0.10 -2.18 116.55 112.22 1crp n ASP 54 Ca 0.03 -3.00 -0.42 0.00 -1.51 0.00 0.00 54.79 49.89 1crp n ASP 54 Cb 0.54 -0.69 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 1crp n ASP 54 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1crp s ILE 55 N -1.21 3.01 -0.13 5.18 1.09 0.18 -2.56 121.20 126.76 1crp s ILE 55 Ca 0.30 0.14 0.01 0.00 -1.10 0.00 0.00 60.65 60.00 1crp s ILE 55 Cb 0.02 -3.09 -0.01 0.00 -1.06 0.00 0.00 42.46 38.32 1crp s ILE 55 CO -0.15 -0.01 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.29 1crp s LEU 56 N 4.02 2.47 0.00 2.97 0.20 -1.15 -1.74 118.68 125.45 1crp s LEU 56 Ca 0.84 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 55.26 1crp s LEU 56 Cb -0.42 -1.54 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1crp s LEU 56 CO 0.39 0.14 0.22 -0.67 -0.29 0.00 0.00 176.35 176.14 1crp n ASP 57 N 3.66 2.55 -3.42 3.68 2.03 -1.26 -2.70 116.55 121.09 1crp n ASP 57 Ca -0.19 -2.52 -0.21 0.00 0.52 0.00 0.00 54.79 52.39 1crp n ASP 57 Cb 0.53 0.06 -0.06 0.00 -0.72 0.00 0.00 41.12 40.92 1crp n ASP 57 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1crp n THR 58 N -1.34 0.00 -3.02 5.18 -2.24 -1.26 -4.83 114.28 106.77 1crp n THR 58 Ca -0.06 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1crp n THR 58 Cb 0.48 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1crp n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1crp n ALA 59 N -1.28 0.00 -3.15 6.98 0.00 -1.26 -4.89 120.51 116.90 1crp n ALA 59 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1crp n ALA 59 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1crp n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crp s GLY 60 N -1.26 -0.08 0.00 0.00 0.00 -1.25 -5.01 107.32 99.72 1crp s GLY 60 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1crp s GLY 60 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82 1crp n GLN 61 N 1.84 0.00 -2.09 2.90 0.00 -1.26 -4.53 117.38 114.24 1crp n GLN 61 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 56.79 1crp n GLN 61 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.81 1crp n GLN 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1crp n GLU 62 N -0.75 0.21 -0.10 2.61 0.28 -1.26 -5.15 120.64 116.48 1crp n GLU 62 Ca 0.00 -0.47 0.01 0.00 -0.16 0.00 0.00 57.16 56.54 1crp n GLU 62 Cb 0.00 0.63 -0.00 0.00 1.43 0.00 0.00 31.44 33.49 1crp n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1crp n GLU 63 N -0.20 -0.20 -2.91 3.44 -0.58 -1.26 -4.16 120.64 114.76 1crp n GLU 63 Ca -0.01 0.13 -0.34 0.00 -0.42 0.00 0.00 57.16 56.53 1crp n GLU 63 Cb 0.17 -0.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.77 1crp n GLU 63 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1crp n TYR 64 N -2.07 3.32 -2.53 -0.32 4.11 -1.26 -4.80 117.16 113.62 1crp n TYR 64 Ca 0.00 -3.33 -0.20 0.00 -0.00 0.00 0.00 57.90 54.36 1crp n TYR 64 Cb 0.05 -0.85 -0.00 0.00 -0.00 0.00 0.00 39.34 38.54 1crp n TYR 64 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1crp n SER 65 N 0.17 -5.74 -4.63 9.48 7.64 -1.26 -4.96 113.62 114.31 1crp n SER 65 Ca 0.36 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1crp n SER 65 Cb 0.34 -4.76 0.19 0.00 -1.01 0.00 0.00 64.21 58.97 1crp n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1crp s ALA 66 N -3.03 0.65 0.00 -0.43 0.00 -1.26 -3.61 121.76 114.08 1crp s ALA 66 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1crp s ALA 66 Cb -0.03 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1crp s ALA 66 CO 0.07 -3.05 0.00 -0.12 0.00 0.00 0.00 175.76 172.66 1crp n MET 67 N -4.34 0.00 0.07 0.00 1.56 -1.26 -4.69 117.12 108.46 1crp n MET 67 Ca 0.05 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.57 1crp n MET 67 Cb 0.56 0.00 0.39 0.00 2.15 0.00 0.00 33.22 36.32 1crp n MET 67 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1crp n ARG 68 N 0.00 0.10 0.07 2.12 0.63 -1.24 -1.71 116.66 116.63 1crp n ARG 68 Ca 0.00 0.36 -0.22 0.00 -0.92 0.00 0.00 57.85 57.07 1crp n ARG 68 Cb 0.00 -1.69 -0.15 0.00 0.45 0.00 0.00 32.46 31.07 1crp n ARG 68 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1crp h ASP 69 N 0.00 0.58 0.50 6.15 3.58 -1.84 -2.97 116.42 122.43 1crp h ASP 69 Ca 0.00 -0.92 -0.30 0.00 0.42 0.00 0.00 57.03 56.23 1crp h ASP 69 Cb 0.28 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1crp h ASP 69 CO 0.00 1.60 -1.36 1.56 -2.88 0.00 0.00 179.24 178.17 1crp h GLN 70 N -0.13 0.34 0.00 0.28 4.20 -1.92 -3.23 115.11 114.66 1crp h GLN 70 Ca -0.25 -0.59 -0.06 0.00 0.06 0.00 0.00 58.65 57.82 1crp h GLN 70 Cb 1.90 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.89 1crp h GLN 70 CO 0.17 1.27 -0.27 -0.92 -0.67 0.00 0.00 178.83 178.40 1crp h TYR 71 N 0.09 0.00 0.00 2.96 3.20 -1.48 -0.33 116.97 121.41 1crp h TYR 71 Ca -0.19 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 1crp h TYR 71 Cb 2.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.30 1crp h TYR 71 CO 0.08 0.27 -0.32 0.52 -1.64 0.00 0.00 178.16 177.07 1crp h MET 72 N 0.00 0.00 0.00 1.82 2.86 -1.54 -2.48 114.93 115.59 1crp h MET 72 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1crp h MET 72 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1crp h MET 72 CO 0.04 0.32 -1.03 -2.13 1.06 0.00 0.00 176.91 175.17 1crp n ARG 73 N -3.66 0.35 -0.08 1.72 0.00 -0.51 -4.44 116.66 110.04 1crp n ARG 73 Ca -0.01 0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1crp n ARG 73 Cb 0.44 -1.63 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 1crp n ARG 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1crp h THR 74 N 0.00 0.85 -2.01 5.15 1.35 -0.79 -3.48 112.91 113.98 1crp h THR 74 Ca 0.00 -1.82 -0.10 0.00 -0.55 0.00 0.00 66.41 63.94 1crp h THR 74 Cb 0.78 1.78 0.05 0.00 -1.73 0.00 0.00 68.15 69.03 1crp h THR 74 CO 0.00 0.29 0.04 0.61 -0.25 0.00 0.00 175.52 176.20 1crp n GLY 75 N 1.57 -2.43 0.00 5.82 0.00 -0.96 -4.97 105.19 104.22 1crp n GLY 75 Ca -0.16 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1crp n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1crp n GLU 76 N -2.30 0.00 -2.61 1.61 4.71 -1.24 -4.97 120.64 115.84 1crp n GLU 76 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.77 1crp n GLU 76 Cb 0.15 -0.38 -0.03 0.00 -1.01 0.00 0.00 31.44 30.17 1crp n GLU 76 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1crp s GLY 77 N -2.12 2.40 -0.68 0.62 0.00 -1.07 -4.30 107.32 102.17 1crp s GLY 77 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 44.72 45.19 1crp s GLY 77 CO 0.00 1.96 0.52 -1.36 0.00 0.00 0.00 173.10 174.21 1crp s PHE 78 N 1.80 3.49 -1.09 1.90 0.40 -1.15 0.63 117.98 123.94 1crp s PHE 78 Ca 0.52 -2.69 -0.22 0.00 -0.60 0.00 0.00 56.93 53.94 1crp s PHE 78 Cb -0.21 -3.26 0.05 0.00 0.51 0.00 0.00 43.02 40.10 1crp s PHE 78 CO 0.22 -0.84 1.57 -1.17 0.70 0.00 0.00 175.22 175.70 1crp s LEU 79 N -0.22 3.56 -1.08 -0.37 2.96 -0.91 -0.78 118.68 121.84 1crp s LEU 79 Ca 0.18 -1.68 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 1crp s LEU 79 Cb -0.18 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1crp s LEU 79 CO -0.05 -1.53 1.79 0.00 -1.32 0.00 0.00 176.35 175.24 1crp n VAL 81 N 7.36 0.23 -3.81 0.00 0.31 -0.02 -1.83 118.33 120.56 1crp n VAL 81 Ca 0.42 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.42 1crp n VAL 81 Cb 0.48 -1.82 -0.16 0.00 -0.91 0.00 0.00 33.84 31.42 1crp n VAL 81 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1crp s PHE 82 N 2.12 1.66 -0.37 3.52 5.36 -0.50 -4.42 117.98 125.34 1crp s PHE 82 Ca 0.82 -1.34 -0.29 0.00 -0.96 0.00 0.00 56.93 55.16 1crp s PHE 82 Cb -0.61 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1crp s PHE 82 CO 0.40 -0.71 1.43 0.00 -1.46 0.00 0.00 175.22 174.88 1crp s ALA 83 N 1.64 3.10 0.38 11.12 0.00 -1.26 -1.40 121.76 135.34 1crp s ALA 83 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1crp s ALA 83 Cb -0.18 -3.91 0.76 0.00 0.00 0.00 0.00 23.12 19.79 1crp s ALA 83 CO -0.10 -2.28 2.01 -0.84 0.00 0.00 0.00 175.76 174.56 1crp h ILE 84 N 6.38 1.09 -0.04 0.00 -0.00 -1.63 -0.71 117.51 122.60 1crp h ILE 84 Ca -0.28 -0.24 -0.09 0.00 -0.00 0.00 0.00 64.86 64.25 1crp h ILE 84 Cb 1.11 0.32 -0.01 0.00 -0.00 0.00 0.00 36.82 38.24 1crp h ILE 84 CO 1.07 0.13 -0.38 -1.13 -0.00 0.00 0.00 178.15 177.84 1crp h ASN 85 N 0.71 0.08 -3.43 2.16 -0.73 -1.78 -2.84 115.58 109.74 1crp h ASN 85 Ca 0.23 -0.03 -0.63 0.00 1.87 0.00 0.00 56.30 57.74 1crp h ASN 85 Cb 0.05 -0.02 -0.13 0.00 0.27 0.00 0.00 38.32 38.48 1crp h ASN 85 CO -0.06 0.46 0.38 0.21 -0.37 0.00 0.00 177.43 178.05 1crp s ASN 86 N -6.91 6.36 0.28 1.15 3.84 -0.27 -4.61 114.94 114.77 1crp s ASN 86 Ca -0.03 -0.31 -0.01 0.00 0.21 0.00 0.00 52.86 52.73 1crp s ASN 86 Cb 0.14 -2.39 0.39 0.00 -0.55 0.00 0.00 41.25 38.84 1crp s ASN 86 CO 0.74 -1.01 1.78 0.74 -2.79 0.00 0.00 177.10 176.56 1crp h THR 87 N 5.98 1.23 0.00 -5.21 2.02 -1.78 -1.98 112.91 113.17 1crp h THR 87 Ca -0.26 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1crp h THR 87 Cb 1.08 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1crp h THR 87 CO 1.00 0.34 -0.00 0.50 0.37 0.00 0.00 175.52 177.73 1crp h LYS 88 N 0.69 0.00 -0.62 6.66 3.64 -1.90 -1.13 116.57 123.90 1crp h LYS 88 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1crp h LYS 88 Cb 0.43 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1crp h LYS 88 CO 0.02 0.00 0.20 0.77 -2.27 0.00 0.00 179.45 178.17 1crp h SER 89 N 0.00 0.87 0.38 4.20 0.02 -1.61 -0.28 113.55 117.12 1crp h SER 89 Ca -0.00 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1crp h SER 89 Cb 0.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1crp h SER 89 CO 0.00 0.81 -0.18 0.15 -1.14 0.00 0.00 176.83 176.47 1crp h PHE 90 N 0.91 -0.47 0.00 3.45 3.04 -1.30 -1.81 116.94 120.77 1crp h PHE 90 Ca 0.21 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1crp h PHE 90 Cb 0.25 0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1crp h PHE 90 CO 0.02 -0.16 0.00 0.93 -2.02 0.00 0.00 178.31 177.08 1crp h GLU 91 N -0.76 0.00 0.17 1.11 5.08 -1.40 -1.93 114.58 116.84 1crp h GLU 91 Ca -0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1crp h GLU 91 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1crp h GLU 91 CO 0.08 0.00 -1.51 0.22 -1.00 0.00 0.00 179.01 176.81 1crp h ASP 92 N 0.00 0.56 0.24 1.42 1.82 -0.60 -3.27 116.42 116.59 1crp h ASP 92 Ca 0.00 -0.70 -0.04 0.00 -0.39 0.00 0.00 57.03 55.90 1crp h ASP 92 Cb 0.08 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1crp h ASP 92 CO 0.00 1.57 -0.18 0.40 -1.61 0.00 0.00 179.24 179.42 1crp h ILE 93 N 0.10 0.99 -0.09 2.25 1.08 -0.53 -2.00 117.51 119.31 1crp h ILE 93 Ca -0.25 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1crp h ILE 93 Cb 2.07 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 37.15 1crp h ILE 93 CO 0.20 0.18 -0.07 -0.74 -0.69 0.00 0.00 178.15 177.03 1crp h HIS 94 N 0.00 -0.16 0.00 1.37 2.76 -1.57 -1.93 115.15 115.62 1crp h HIS 94 Ca -0.00 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.00 1crp h HIS 94 Cb 0.35 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1crp h HIS 94 CO 0.00 -0.11 -0.85 1.96 -1.30 0.00 0.00 177.93 177.63 1crp h GLN 95 N -0.08 0.08 0.00 5.26 4.20 -1.64 -2.99 115.11 119.95 1crp h GLN 95 Ca 0.06 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1crp h GLN 95 Cb 0.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1crp h GLN 95 CO -0.14 0.88 0.00 1.88 -0.67 0.00 0.00 178.83 180.79 1crp h TYR 96 N 0.05 0.00 -0.67 2.96 0.05 -1.01 -1.35 116.97 116.99 1crp h TYR 96 Ca -0.03 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.42 1crp h TYR 96 Cb 1.49 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 39.02 1crp h TYR 96 CO 0.01 0.00 0.43 -2.13 -1.05 0.00 0.00 178.16 175.42 1crp n ARG 97 N -2.74 1.98 0.00 4.88 0.00 -0.76 -3.72 116.66 116.30 1crp n ARG 97 Ca -0.01 -2.09 0.00 0.00 -0.00 0.00 0.00 57.85 55.75 1crp n ARG 97 Cb 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 30.76 1crp n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1crp n GLU 98 N -0.58 0.00 0.13 -0.14 1.02 -0.52 -4.68 120.64 115.87 1crp n GLU 98 Ca 0.40 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.59 1crp n GLU 98 Cb 1.29 -0.21 0.47 0.00 -0.02 0.00 0.00 31.44 32.97 1crp n GLU 98 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1crp h GLN 99 N 0.00 0.25 -0.29 3.49 4.15 -1.69 0.46 115.11 121.48 1crp h GLN 99 Ca 0.00 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 1crp h GLN 99 Cb 0.28 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1crp h GLN 99 CO 0.00 0.27 -0.20 0.82 -1.93 0.00 0.00 178.83 177.79 1crp h ILE 100 N 0.25 1.26 0.00 2.39 2.04 -1.85 0.15 117.51 121.75 1crp h ILE 100 Ca 0.06 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1crp h ILE 100 Cb 0.15 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1crp h ILE 100 CO 0.00 0.39 -0.30 0.07 0.00 0.00 0.00 178.15 178.31 1crp h LYS 101 N 0.48 0.00 0.68 2.37 2.10 -1.13 -2.06 116.57 119.02 1crp h LYS 101 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.69 1crp h LYS 101 Cb 0.62 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.96 1crp h LYS 101 CO 0.04 0.30 -0.32 -0.09 -2.00 0.00 0.00 179.45 177.38 1crp h ARG 102 N 0.00 -0.88 0.15 0.07 2.43 0.30 0.61 114.38 117.07 1crp h ARG 102 Ca -0.00 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1crp h ARG 102 Cb 0.55 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1crp h ARG 102 CO 0.04 -0.58 -0.12 0.28 -1.51 0.00 0.00 179.97 178.07 1crp h VAL 103 N -1.09 0.00 0.00 0.20 2.07 -1.27 -1.59 116.25 114.57 1crp h VAL 103 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1crp h VAL 103 Cb 0.70 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1crp h VAL 103 CO 0.15 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.24 1crp h LYS 104 N -0.27 0.00 -5.74 1.57 1.63 -1.51 -3.46 116.57 108.79 1crp h LYS 104 Ca -0.02 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.42 1crp h LYS 104 Cb 0.22 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 32.01 1crp h LYS 104 CO -0.00 0.00 -0.74 -3.47 -3.45 0.00 0.00 179.45 171.79 1crp n ASP 105 N -2.85 -3.76 -3.52 4.20 2.03 0.20 -4.96 116.55 107.89 1crp n ASP 105 Ca -0.02 -0.59 -0.01 0.00 0.52 0.00 0.00 54.79 54.68 1crp n ASP 105 Cb 0.08 -5.06 0.01 0.00 -0.72 0.00 0.00 41.12 35.44 1crp n ASP 105 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1crp s SER 106 N -3.94 -0.00 -0.54 1.67 0.01 -0.44 -4.99 113.70 105.46 1crp s SER 106 Ca 0.24 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1crp s SER 106 Cb -0.11 0.38 0.30 0.00 0.21 0.00 0.00 66.02 66.81 1crp s SER 106 CO 0.73 -0.76 0.80 -0.90 0.41 0.00 0.00 173.24 173.52 1crp n ASP 107 N -1.12 3.17 -2.72 2.44 5.68 -1.26 -4.16 116.55 118.58 1crp n ASP 107 Ca -0.01 -3.39 -0.09 0.00 -0.50 0.00 0.00 54.79 50.80 1crp n ASP 107 Cb 0.59 -0.61 0.07 0.00 -1.14 0.00 0.00 41.12 40.03 1crp n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1crp n ASP 108 N 0.39 -0.48 -4.86 -1.12 2.03 -1.26 -5.12 116.55 106.13 1crp n ASP 108 Ca 0.29 -2.71 -0.32 0.00 0.52 0.00 0.00 54.79 52.57 1crp n ASP 108 Cb 0.45 0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 41.20 1crp n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1crp s VAL 109 N -1.24 4.75 -1.48 5.18 1.01 -1.26 -4.95 120.40 122.41 1crp s VAL 109 Ca 0.25 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 1crp s VAL 109 Cb 0.41 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1crp s VAL 109 CO -0.04 -0.22 2.48 -0.81 0.00 0.00 0.00 175.10 176.52 1crp n PRO 110 N -0.48 3.55 -0.87 2.72 -0.04 -1.26 -4.96 135.00 133.66 1crp n PRO 110 Ca 0.03 -2.71 -0.30 0.00 -0.04 0.00 0.00 63.50 60.48 1crp n PRO 110 Cb 0.53 -2.95 0.17 0.00 -0.04 0.00 0.00 33.50 31.21 1crp n PRO 110 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1crp s MET 111 N 1.75 0.82 -0.36 0.54 1.75 -1.26 -2.96 119.30 119.58 1crp s MET 111 Ca 0.56 1.16 0.05 0.00 -1.25 0.00 0.00 55.69 56.20 1crp s MET 111 Cb 0.16 -1.73 0.17 0.00 2.84 0.00 0.00 34.83 36.26 1crp s MET 111 CO -0.07 -2.64 0.48 0.08 -0.65 0.00 0.00 175.02 172.23 1crp s VAL 112 N -2.72 -0.67 -0.78 10.11 1.01 0.04 -4.27 120.40 123.13 1crp s VAL 112 Ca 0.65 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1crp s VAL 112 Cb -0.21 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1crp s VAL 112 CO 0.59 -0.28 1.59 -0.22 0.00 0.00 0.00 175.10 176.78 1crp s LEU 113 N 1.92 3.26 0.62 3.92 2.96 -0.90 -0.69 118.68 129.77 1crp s LEU 113 Ca 0.14 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 1crp s LEU 113 Cb -0.11 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1crp s LEU 113 CO -0.12 -2.08 1.03 -0.69 -1.32 0.00 0.00 176.35 173.17 1crp s VAL 114 N 7.28 4.65 -0.67 1.68 1.01 -0.76 -2.60 120.40 130.98 1crp s VAL 114 Ca 0.52 0.85 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1crp s VAL 114 Cb -0.08 -3.85 0.20 0.00 0.00 0.00 0.00 36.38 32.66 1crp s VAL 114 CO 0.09 -1.12 0.58 0.61 0.00 0.00 0.00 175.10 175.27 1crp n GLY 115 N -2.76 4.24 3.73 4.51 0.00 0.20 -1.42 105.19 113.68 1crp n GLY 115 Ca 0.06 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.17 1crp n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1crp s ASN 116 N -1.79 3.76 -0.73 1.61 3.84 -0.49 -0.41 114.94 120.72 1crp s ASN 116 Ca 0.31 1.71 -0.01 0.00 0.21 0.00 0.00 52.86 55.08 1crp s ASN 116 Cb 0.03 -2.37 -0.01 0.00 -0.55 0.00 0.00 41.25 38.35 1crp s ASN 116 CO -0.11 -2.49 0.61 0.29 -2.79 0.00 0.00 177.10 172.61 1crp n LYS 117 N -3.81 -3.47 -0.04 0.43 5.02 -0.37 -1.97 118.16 113.94 1crp n LYS 117 Ca 0.08 0.54 0.02 0.00 -2.02 0.00 0.00 58.31 56.93 1crp n LYS 117 Cb 0.54 -4.51 -0.15 0.00 -0.02 0.00 0.00 35.03 30.88 1crp n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1crp h ASP 119 N 0.00 0.22 -4.29 0.00 2.03 -1.93 -3.42 116.42 109.03 1crp h ASP 119 Ca -0.20 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.58 1crp h ASP 119 Cb 1.42 -0.04 0.13 0.00 -0.83 0.00 0.00 39.33 40.01 1crp h ASP 119 CO 0.01 0.13 0.32 -1.48 -1.03 0.00 0.00 179.24 177.19 1crp s LEU 120 N -9.14 3.08 -0.14 0.15 0.05 -1.26 -4.98 118.68 106.44 1crp s LEU 120 Ca -0.07 1.90 0.05 0.00 0.05 0.00 0.00 54.13 56.06 1crp s LEU 120 Cb 0.19 -4.53 -0.23 0.00 -2.05 0.00 0.00 46.19 39.57 1crp s LEU 120 CO 0.73 -2.08 0.27 0.00 -0.55 0.00 0.00 176.35 174.73 1crp n ALA 121 N -3.39 1.27 -1.63 1.48 0.00 -1.26 -4.76 120.51 112.22 1crp n ALA 121 Ca 0.10 -0.87 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 1crp n ALA 121 Cb 0.53 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1crp n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1crp s ALA 122 N -2.55 1.12 -0.69 0.00 0.00 -1.26 -4.88 121.76 113.50 1crp s ALA 122 Ca -0.18 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 1crp s ALA 122 Cb 0.07 -4.50 0.11 0.00 0.00 0.00 0.00 23.12 18.81 1crp s ALA 122 CO 0.76 -5.30 0.86 1.03 0.00 0.00 0.00 175.76 173.10 1crp s ARG 123 N 8.46 3.21 0.28 0.00 0.52 -1.26 -4.73 118.95 125.43 1crp s ARG 123 Ca 0.91 -1.36 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 1crp s ARG 123 Cb -0.14 -4.39 0.42 0.00 0.52 0.00 0.00 34.95 31.36 1crp s ARG 123 CO 0.13 -1.64 1.68 1.79 0.02 0.00 0.00 175.30 177.28 1crp h THR 124 N 5.84 1.32 -3.59 0.02 1.35 -1.82 -3.41 112.91 112.63 1crp h THR 124 Ca -0.18 -1.60 -0.62 0.00 -0.55 0.00 0.00 66.41 63.46 1crp h THR 124 Cb 1.07 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 69.07 1crp h THR 124 CO 1.10 0.48 -0.52 -0.69 -0.25 0.00 0.00 175.52 175.64 1crp s VAL 125 N -4.08 5.25 0.59 6.82 1.01 -1.07 -5.00 120.40 123.92 1crp s VAL 125 Ca -0.04 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1crp s VAL 125 Cb 0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1crp s VAL 125 CO 0.78 0.35 1.24 -1.61 0.00 0.00 0.00 175.10 175.86 1crp s GLU 126 N 1.08 2.97 0.04 2.72 2.02 -1.26 -4.94 118.70 121.33 1crp s GLU 126 Ca 0.07 1.93 -0.31 0.00 0.02 0.00 0.00 54.97 56.68 1crp s GLU 126 Cb -0.14 -1.99 -0.17 0.00 0.10 0.00 0.00 34.13 31.93 1crp s GLU 126 CO 0.05 -1.23 1.35 0.66 0.02 0.00 0.00 175.26 176.10 1crp h SER 127 N 0.99 -0.86 -0.04 -0.19 4.64 -1.97 -2.71 113.55 113.40 1crp h SER 127 Ca -0.51 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1crp h SER 127 Cb 1.30 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1crp h SER 127 CO 0.55 -0.52 0.06 0.08 -0.87 0.00 0.00 176.83 176.13 1crp h ARG 128 N -1.18 0.00 -0.15 4.77 -0.00 -2.00 -2.12 114.38 113.71 1crp h ARG 128 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.87 1crp h ARG 128 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.76 1crp h ARG 128 CO 0.17 0.00 0.06 1.96 -0.00 0.00 0.00 179.97 182.16 1crp h GLN 129 N 0.00 0.22 0.00 0.08 1.08 -1.86 -1.74 115.11 112.90 1crp h GLN 129 Ca 0.02 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1crp h GLN 129 Cb 0.14 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1crp h GLN 129 CO -0.00 0.31 -0.12 0.00 -0.95 0.00 0.00 178.83 178.07 1crp h ALA 130 N 0.90 1.51 0.00 3.87 0.00 -1.21 -1.01 119.26 123.32 1crp h ALA 130 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1crp h ALA 130 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1crp h ALA 130 CO -0.00 0.15 -0.61 1.96 0.00 0.00 0.00 179.25 180.75 1crp h GLN 131 N 0.00 0.00 -0.08 0.00 4.20 -1.26 -2.15 115.11 115.82 1crp h GLN 131 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1crp h GLN 131 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1crp h GLN 131 CO 0.02 0.61 -0.83 -0.44 -0.67 0.00 0.00 178.83 177.52 1crp h ASP 132 N 0.00 0.73 0.18 1.46 5.19 -0.35 -1.95 116.42 121.68 1crp h ASP 132 Ca -0.01 -0.51 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 1crp h ASP 132 Cb 1.09 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1crp h ASP 132 CO 0.08 1.29 -0.09 0.25 -3.12 0.00 0.00 179.24 177.65 1crp h LEU 133 N 0.39 -0.20 -0.12 1.55 7.12 -1.43 -2.80 115.31 119.81 1crp h LEU 133 Ca -0.06 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 57.83 1crp h LEU 133 Cb 1.44 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.59 1crp h LEU 133 CO 0.16 0.32 -0.10 0.00 -0.13 0.00 0.00 178.44 178.69 1crp h ALA 134 N -0.82 -0.01 -0.32 1.25 0.00 -1.53 -0.55 119.26 117.29 1crp h ALA 134 Ca -0.02 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1crp h ALA 134 Cb 0.34 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1crp h ALA 134 CO 0.04 -0.56 0.26 -0.09 0.00 0.00 0.00 179.25 178.90 1crp h ARG 135 N -0.12 0.00 -0.55 0.00 2.43 -1.48 -0.30 114.38 114.36 1crp h ARG 135 Ca 0.08 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1crp h ARG 135 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1crp h ARG 135 CO -0.20 0.00 0.12 1.03 -1.51 0.00 0.00 179.97 179.42 1crp h SER 136 N 0.00 0.84 -0.42 -3.80 0.87 -0.81 -2.43 113.55 107.79 1crp h SER 136 Ca 0.15 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1crp h SER 136 Cb 0.66 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1crp h SER 136 CO -0.00 0.86 0.00 -1.22 -0.53 0.00 0.00 176.83 175.94 1crp n TYR 137 N -4.39 0.70 -3.49 2.24 4.01 -0.20 -4.93 117.16 111.10 1crp n TYR 137 Ca 0.02 -0.32 -0.19 0.00 -0.16 0.00 0.00 57.90 57.26 1crp n TYR 137 Cb 0.24 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1crp n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1crp n GLY 138 N 1.06 -0.55 3.11 2.72 0.00 -0.72 -5.01 105.19 105.79 1crp n GLY 138 Ca 0.15 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 1crp n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1crp s ILE 139 N -3.46 0.92 0.60 -0.61 -4.36 -0.89 -4.93 121.20 108.46 1crp s ILE 139 Ca 0.13 -0.97 -0.18 0.00 -0.26 0.00 0.00 60.65 59.37 1crp s ILE 139 Cb -0.02 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 1crp s ILE 139 CO 0.76 -0.09 1.18 -2.16 0.24 0.00 0.00 174.94 174.87 1crp s PRO 140 N -1.19 2.96 0.02 0.37 0.04 -1.26 -4.17 135.00 131.76 1crp s PRO 140 Ca -0.01 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1crp s PRO 140 Cb -0.08 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1crp s PRO 140 CO 0.01 -1.19 -0.22 -0.47 0.04 0.00 0.00 177.00 175.17 1crp s TYR 141 N -1.75 1.96 0.30 0.56 5.04 -1.26 -2.12 117.35 120.07 1crp s TYR 141 Ca 0.75 -0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 54.91 1crp s TYR 141 Cb -0.28 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 40.83 1crp s TYR 141 CO 0.34 0.04 0.51 0.42 -1.34 0.00 0.00 175.55 175.52 1crp s ILE 142 N -0.67 0.00 0.44 3.14 1.01 -1.07 -5.01 121.20 119.04 1crp s ILE 142 Ca 0.09 -1.43 0.07 0.00 0.00 0.00 0.00 60.65 59.38 1crp s ILE 142 Cb -0.09 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1crp s ILE 142 CO 0.01 0.00 0.31 -1.61 0.00 0.00 0.00 174.94 173.65 1crp s GLU 143 N -3.49 2.36 -0.28 2.79 2.02 -1.26 0.58 118.70 121.41 1crp s GLU 143 Ca 0.24 -1.76 -0.24 0.00 0.02 0.00 0.00 54.97 53.23 1crp s GLU 143 Cb -0.01 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.18 1crp s GLU 143 CO 0.13 -0.26 1.01 0.95 0.02 0.00 0.00 175.26 177.11 1crp s THR 144 N -2.59 0.00 -0.21 3.63 -4.23 0.45 -4.42 115.64 108.28 1crp s THR 144 Ca 0.42 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1crp s THR 144 Cb -0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 1crp s THR 144 CO 0.24 0.00 0.02 -0.55 -0.54 0.00 0.00 174.62 173.80 1crp s SER 145 N 0.36 3.18 0.00 3.99 0.15 0.10 -1.24 113.70 120.24 1crp s SER 145 Ca 0.02 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 55.95 1crp s SER 145 Cb -0.05 -0.72 1.32 0.00 -1.71 0.00 0.00 66.02 64.86 1crp s SER 145 CO -0.07 -0.30 1.79 0.00 1.20 0.00 0.00 173.24 175.86 1crp n ALA 146 N 4.96 2.30 -0.41 5.45 0.00 -1.26 -1.86 120.51 129.70 1crp n ALA 146 Ca -0.09 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.32 1crp n ALA 146 Cb 0.46 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.81 1crp n ALA 146 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1crp n LYS 147 N -1.14 3.00 -0.38 0.00 -0.00 -1.26 -4.58 118.16 113.80 1crp n LYS 147 Ca 0.15 -2.58 -0.01 0.00 -0.00 0.00 0.00 58.31 55.87 1crp n LYS 147 Cb 0.13 -1.58 -0.01 0.00 -0.00 0.00 0.00 35.03 33.57 1crp n LYS 147 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1crp n THR 148 N 1.19 0.00 -3.08 0.58 5.66 -1.14 -4.99 114.28 112.49 1crp n THR 148 Ca 0.22 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.03 1crp n THR 148 Cb 0.65 0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 69.49 1crp n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crp n ARG 149 N 0.00 -2.92 -2.99 1.09 3.00 -0.78 -4.86 116.66 109.20 1crp n ARG 149 Ca -0.04 0.42 -0.44 0.00 -0.01 0.00 0.00 57.85 57.78 1crp n ARG 149 Cb 0.27 -5.07 -0.03 0.00 0.00 0.00 0.00 32.46 27.64 1crp n ARG 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1crp s GLN 150 N -5.70 3.51 0.00 5.56 2.00 -1.08 -4.01 119.66 119.95 1crp s GLN 150 Ca 0.27 -1.74 0.00 0.00 -2.00 0.00 0.00 55.36 51.89 1crp s GLN 150 Cb -0.15 -4.74 0.00 0.00 0.80 0.00 0.00 33.01 28.93 1crp s GLN 150 CO 0.33 -1.69 0.00 0.41 -0.50 0.00 0.00 175.29 173.84 1crp n GLY 151 N 5.25 1.36 0.38 2.59 0.00 -1.26 0.01 105.19 113.52 1crp n GLY 151 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1crp n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1crp h VAL 152 N 0.00 0.77 0.10 1.61 2.07 -1.77 -1.74 116.25 117.28 1crp h VAL 152 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1crp h VAL 152 Cb 0.00 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1crp h VAL 152 CO 0.00 0.04 -0.05 -0.33 0.02 0.00 0.00 177.57 177.25 1crp h GLU 153 N 0.21 -0.12 0.00 1.57 5.08 -1.92 -2.97 114.58 116.43 1crp h GLU 153 Ca 0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1crp h GLU 153 Cb 0.92 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1crp h GLU 153 CO -0.06 0.22 0.00 0.38 -1.00 0.00 0.00 179.01 178.55 1crp h ASP 154 N -0.49 0.00 0.23 1.42 3.04 -1.81 -2.28 116.42 116.53 1crp h ASP 154 Ca -0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 1crp h ASP 154 Cb 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 1crp h ASP 154 CO 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 179.24 177.11 1crp h ALA 155 N 2.11 -0.31 -0.43 4.15 0.00 -1.25 -2.21 119.26 121.32 1crp h ALA 155 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1crp h ALA 155 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1crp h ALA 155 CO 0.00 -0.34 -0.14 0.74 0.00 0.00 0.00 179.25 179.51 1crp h PHE 156 N -0.99 0.96 0.55 0.00 0.04 -1.58 -2.27 116.94 113.66 1crp h PHE 156 Ca -0.03 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 1crp h PHE 156 Cb 0.44 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.36 1crp h PHE 156 CO 0.05 0.98 -0.27 1.88 -0.60 0.00 0.00 178.31 180.35 1crp h TYR 157 N 0.67 -0.69 -0.06 -0.55 -1.99 -1.53 -2.02 116.97 110.79 1crp h TYR 157 Ca 0.10 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.84 1crp h TYR 157 Cb 0.69 0.23 -0.00 0.00 2.00 0.00 0.00 36.73 39.64 1crp h TYR 157 CO 0.05 -0.43 0.06 1.15 -0.00 0.00 0.00 178.16 178.99 1crp h THR 158 N -0.75 0.75 -0.32 -2.88 2.02 -1.43 -0.96 112.91 109.34 1crp h THR 158 Ca -0.08 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 1crp h THR 158 Cb 0.57 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1crp h THR 158 CO 0.12 0.00 -0.32 0.25 0.37 0.00 0.00 175.52 175.95 1crp h LEU 159 N 0.00 0.72 -0.92 2.58 6.46 -0.78 -2.61 115.31 120.76 1crp h LEU 159 Ca 0.03 -0.29 -0.10 0.00 -0.12 0.00 0.00 57.88 57.40 1crp h LEU 159 Cb 0.14 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1crp h LEU 159 CO -0.00 0.99 -0.46 0.58 -0.62 0.00 0.00 178.44 178.93 1crp h VAL 160 N 0.59 1.11 -0.23 1.05 2.07 -0.50 -2.92 116.25 117.42 1crp h VAL 160 Ca 0.07 -1.70 -0.18 0.00 0.82 0.00 0.00 66.70 65.71 1crp h VAL 160 Cb 0.83 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1crp h VAL 160 CO 0.07 0.45 -0.58 0.03 0.02 0.00 0.00 177.57 177.56 1crp h ARG 161 N 0.00 0.72 -0.23 1.57 3.08 -1.17 -2.16 114.38 116.19 1crp h ARG 161 Ca -0.00 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 1crp h ARG 161 Cb 0.94 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1crp h ARG 161 CO 0.06 1.10 0.03 0.93 -1.07 0.00 0.00 179.97 181.02 1crp h GLU 162 N 0.55 0.39 -0.50 0.04 3.07 -1.36 -2.30 114.58 114.46 1crp h GLU 162 Ca 0.00 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 1crp h GLU 162 Cb 1.16 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 1crp h GLU 162 CO 0.12 0.53 0.16 0.82 -1.40 0.00 0.00 179.01 179.24 1crp h ILE 163 N 0.18 1.20 -0.83 3.13 2.04 -1.52 -2.33 117.51 119.38 1crp h ILE 163 Ca 0.07 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1crp h ILE 163 Cb 0.34 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1crp h ILE 163 CO 0.01 0.26 0.37 0.03 0.00 0.00 0.00 178.15 178.82 1crp h ARG 164 N 0.72 1.22 0.01 2.37 3.08 -1.13 -3.16 114.38 117.49 1crp h ARG 164 Ca 0.17 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1crp h ARG 164 Cb 0.22 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1crp h ARG 164 CO -0.01 0.96 -0.40 0.37 -1.07 0.00 0.00 179.97 179.82 1crp h GLN 165 N 1.20 -0.49 0.00 0.04 -0.00 -0.85 -3.51 115.11 111.50 1crp h GLN 165 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1crp h GLN 165 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1crp h GLN 165 CO -0.03 -0.33 0.00 1.58 0.00 0.00 0.00 178.83 180.05