#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr7 s GLU 2 N 0.00 3.01 -0.07 0.00 2.12 0.22 -4.91 118.70 119.07 1cr7 s GLU 2 Ca 0.00 -1.01 0.03 0.00 0.36 0.00 0.00 54.97 54.35 1cr7 s GLU 2 Cb 0.00 -4.01 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 1cr7 s GLU 2 CO 0.00 -0.85 -0.16 0.99 -0.54 0.00 0.00 175.26 174.70 1cr7 s THR 3 N 1.84 2.89 -0.15 -1.70 2.01 -1.26 -0.69 115.64 118.58 1cr7 s THR 3 Ca 0.07 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1cr7 s THR 3 Cb -0.20 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.20 1cr7 s THR 3 CO 0.10 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.77 1cr7 s VAL 4 N -0.40 1.61 0.00 3.82 1.01 -0.63 -4.97 120.40 120.85 1cr7 s VAL 4 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1cr7 s VAL 4 Cb -0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1cr7 s VAL 4 CO 0.02 0.47 -0.00 -0.94 0.00 0.00 0.00 175.10 174.65 1cr7 s SER 5 N 1.43 0.07 0.07 3.32 1.04 -1.26 -0.65 113.70 117.71 1cr7 s SER 5 Ca 0.04 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 1cr7 s SER 5 Cb -0.13 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.08 1cr7 s SER 5 CO -0.10 -0.10 0.45 0.72 0.98 0.00 0.00 173.24 175.18 1cr7 s PHE 6 N -0.47 -0.30 -0.16 5.02 -0.12 -0.39 -5.00 117.98 116.56 1cr7 s PHE 6 Ca -0.05 0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 57.01 1cr7 s PHE 6 Cb -0.03 0.27 0.08 0.00 -0.63 0.00 0.00 43.02 42.70 1cr7 s PHE 6 CO -0.00 -0.63 0.23 1.21 -0.05 0.00 0.00 175.22 175.98 1cr7 s ASN 7 N -2.18 0.87 -0.29 1.98 2.47 -1.26 -1.30 114.94 115.23 1cr7 s ASN 7 Ca -0.03 0.18 -0.06 0.00 0.42 0.00 0.00 52.86 53.36 1cr7 s ASN 7 Cb -0.00 0.49 0.01 0.00 -1.45 0.00 0.00 41.25 40.30 1cr7 s ASN 7 CO -0.05 -0.28 0.06 -0.36 -3.72 0.00 0.00 177.10 172.75 1cr7 s PHE 8 N 2.36 3.15 -1.90 0.43 2.99 -0.25 -4.94 117.98 119.83 1cr7 s PHE 8 Ca 0.04 -1.12 0.26 0.00 0.00 0.00 0.00 56.93 56.12 1cr7 s PHE 8 Cb -0.14 -2.23 0.63 0.00 0.00 0.00 0.00 43.02 41.29 1cr7 s PHE 8 CO -0.10 -0.62 1.49 0.09 -0.00 0.00 0.00 175.22 176.09 1cr7 n ASN 9 N 4.83 1.29 -3.63 1.36 3.02 -1.26 -1.74 115.26 119.13 1cr7 n ASN 9 Ca -0.15 -1.08 -0.03 0.00 -0.03 0.00 0.00 54.58 53.29 1cr7 n ASN 9 Cb 0.47 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1cr7 n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cr7 s SER 10 N -2.44 -0.08 0.30 6.41 1.04 -1.26 -4.83 113.70 112.84 1cr7 s SER 10 Ca 0.25 0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.81 1cr7 s SER 10 Cb 0.19 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1cr7 s SER 10 CO 0.51 -0.11 -0.04 -0.36 0.98 0.00 0.00 173.24 174.22 1cr7 s PHE 11 N -1.74 2.54 -0.15 5.02 0.40 0.04 -5.04 117.98 119.04 1cr7 s PHE 11 Ca 0.09 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1cr7 s PHE 11 Cb -0.01 -1.27 0.05 0.00 0.51 0.00 0.00 43.02 42.30 1cr7 s PHE 11 CO -0.05 0.59 0.39 -1.54 0.70 0.00 0.00 175.22 175.31 1cr7 s SER 12 N -3.65 -0.44 0.61 1.36 1.04 -1.26 -4.25 113.70 107.10 1cr7 s SER 12 Ca 0.32 0.81 -0.19 0.00 0.48 0.00 0.00 55.95 57.37 1cr7 s SER 12 Cb -0.03 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 1cr7 s SER 12 CO 0.18 -0.16 1.32 -1.61 0.98 0.00 0.00 173.24 173.95 1cr7 s GLU 13 N 0.82 2.76 0.00 4.02 2.02 -1.26 -2.51 118.70 124.55 1cr7 s GLU 13 Ca -0.05 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.08 1cr7 s GLU 13 Cb -0.06 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1cr7 s GLU 13 CO -0.06 -1.46 0.00 0.41 0.02 0.00 0.00 175.26 174.17 1cr7 n GLY 14 N 0.84 2.98 3.50 -1.39 0.00 -1.26 -4.99 105.19 104.87 1cr7 n GLY 14 Ca 0.14 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1cr7 n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cr7 n ASN 15 N 0.34 2.15 0.00 1.61 4.05 -1.04 -4.76 115.26 117.60 1cr7 n ASN 15 Ca 0.00 0.13 0.02 0.00 0.45 0.00 0.00 54.58 55.18 1cr7 n ASN 15 Cb 0.00 -1.35 0.09 0.00 1.23 0.00 0.00 39.78 39.75 1cr7 n ASN 15 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1cr7 n PRO 16 N 8.52 0.06 0.02 1.20 -0.04 -1.26 -1.93 135.00 141.57 1cr7 n PRO 16 Ca 0.41 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1cr7 n PRO 16 Cb 0.32 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 1cr7 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cr7 n ALA 17 N -1.22 2.70 -2.63 0.55 0.00 -1.26 -4.73 120.51 113.92 1cr7 n ALA 17 Ca 0.02 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1cr7 n ALA 17 Cb 0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 1cr7 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cr7 s ILE 18 N -3.03 1.11 -0.11 0.00 1.01 -0.81 0.20 121.20 119.56 1cr7 s ILE 18 Ca 0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1cr7 s ILE 18 Cb 0.17 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1cr7 s ILE 18 CO 0.60 0.06 -0.09 0.20 0.00 0.00 0.00 174.94 175.72 1cr7 s ASN 19 N -0.99 4.39 -0.15 3.58 0.02 0.11 -4.77 114.94 117.13 1cr7 s ASN 19 Ca 0.02 -0.18 -0.06 0.00 -1.02 0.00 0.00 52.86 51.62 1cr7 s ASN 19 Cb -0.07 -1.47 -0.04 0.00 0.02 0.00 0.00 41.25 39.69 1cr7 s ASN 19 CO 0.01 0.23 0.05 -0.36 0.02 0.00 0.00 177.10 177.05 1cr7 s PHE 20 N -0.05 3.25 -0.04 2.20 0.40 -1.26 -1.65 117.98 120.84 1cr7 s PHE 20 Ca -0.01 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1cr7 s PHE 20 Cb -0.14 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1cr7 s PHE 20 CO 0.03 0.28 -0.10 -0.65 0.70 0.00 0.00 175.22 175.49 1cr7 s GLN 21 N -0.09 1.14 2.74 0.44 -0.21 -0.10 -5.03 119.66 118.55 1cr7 s GLN 21 Ca 0.06 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.11 1cr7 s GLN 21 Cb -0.12 -1.04 0.00 0.00 1.00 0.00 0.00 33.01 32.85 1cr7 s GLN 21 CO 0.01 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 1cr7 n GLY 22 N 3.42 -0.58 0.88 3.09 0.00 -1.26 -0.70 105.19 110.05 1cr7 n GLY 22 Ca -0.20 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1cr7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 23 N -0.00 1.57 -4.77 1.61 10.43 0.06 -4.87 116.55 120.57 1cr7 n ASP 23 Ca 0.00 -1.24 -0.39 0.00 2.57 0.00 0.00 54.79 55.73 1cr7 n ASP 23 Cb 0.00 -0.31 -0.02 0.00 1.84 0.00 0.00 41.12 42.63 1cr7 n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1cr7 s VAL 24 N 0.05 2.95 -0.06 2.53 1.01 -1.25 -4.24 120.40 121.39 1cr7 s VAL 24 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1cr7 s VAL 24 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1cr7 s VAL 24 CO 0.00 0.11 0.21 0.28 0.00 0.00 0.00 175.10 175.71 1cr7 s THR 25 N -1.32 0.02 -0.28 3.92 -1.32 -0.84 -5.00 115.64 110.83 1cr7 s THR 25 Ca 0.55 -0.17 -0.10 0.00 -1.21 0.00 0.00 61.69 60.77 1cr7 s THR 25 Cb -0.34 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1cr7 s THR 25 CO 0.44 -0.09 0.15 -0.69 -2.21 0.00 0.00 174.62 172.21 1cr7 s VAL 26 N -0.29 4.94 1.02 5.08 1.01 -1.26 -0.53 120.40 130.38 1cr7 s VAL 26 Ca -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1cr7 s VAL 26 Cb -0.03 -3.37 0.20 0.00 0.00 0.00 0.00 36.38 33.18 1cr7 s VAL 26 CO 0.01 0.25 1.14 -0.76 0.00 0.00 0.00 175.10 175.73 1cr7 s LEU 27 N 1.70 1.59 0.54 3.92 1.43 -0.27 -4.92 118.68 122.68 1cr7 s LEU 27 Ca 0.07 0.86 0.23 0.00 -1.03 0.00 0.00 54.13 54.26 1cr7 s LEU 27 Cb -0.16 -2.95 1.51 0.00 0.03 0.00 0.00 46.19 44.62 1cr7 s LEU 27 CO 0.08 -3.17 2.17 0.77 0.23 0.00 0.00 176.35 176.43 1cr7 h SER 28 N -1.93 0.00 -0.54 2.29 4.64 -1.99 -2.17 113.55 113.85 1cr7 h SER 28 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1cr7 h SER 28 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1cr7 h SER 28 CO 0.51 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 1cr7 n ASN 29 N -4.10 3.14 0.00 4.97 2.04 -1.26 -4.92 115.26 115.12 1cr7 n ASN 29 Ca -0.03 -2.08 0.00 0.00 -0.44 0.00 0.00 54.58 52.04 1cr7 n ASN 29 Cb 0.12 -0.40 0.00 0.00 -2.53 0.00 0.00 39.78 36.97 1cr7 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 30 N 1.28 1.33 3.77 4.83 0.00 -0.82 -4.79 105.19 110.79 1cr7 n GLY 30 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1cr7 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 31 N -3.00 6.02 -0.14 1.61 0.02 -1.26 -0.78 114.94 117.41 1cr7 s ASN 31 Ca 0.00 2.29 -0.08 0.00 -1.02 0.00 0.00 52.86 54.05 1cr7 s ASN 31 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 1cr7 s ASN 31 CO 0.00 -1.02 0.14 -0.63 0.02 0.00 0.00 177.10 175.62 1cr7 s ILE 32 N -1.59 5.47 -0.23 0.60 1.01 -0.78 -1.11 121.20 124.56 1cr7 s ILE 32 Ca 0.66 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.51 1cr7 s ILE 32 Cb -0.28 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1cr7 s ILE 32 CO 0.33 0.56 -0.06 -1.58 0.00 0.00 0.00 174.94 174.19 1cr7 s GLN 33 N -0.60 3.03 0.02 2.79 0.74 0.31 -1.24 119.66 124.71 1cr7 s GLN 33 Ca 0.13 -0.85 -0.21 0.00 0.05 0.00 0.00 55.36 54.48 1cr7 s GLN 33 Cb -0.12 -2.97 -0.17 0.00 1.10 0.00 0.00 33.01 30.85 1cr7 s GLN 33 CO 0.02 -0.32 1.25 -0.07 -0.55 0.00 0.00 175.29 175.63 1cr7 h LEU 34 N 8.05 0.36 -9.68 3.68 3.38 -1.16 -2.24 115.31 117.70 1cr7 h LEU 34 Ca -0.37 -0.57 -0.54 0.00 0.09 0.00 0.00 57.88 56.49 1cr7 h LEU 34 Cb 1.13 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1cr7 h LEU 34 CO 0.59 0.86 -0.60 0.42 0.09 0.00 0.00 178.44 179.80 1cr7 s THR 35 N -3.96 3.65 -0.22 0.22 -4.23 -1.26 -3.26 115.64 106.58 1cr7 s THR 35 Ca -0.14 -1.75 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 1cr7 s THR 35 Cb 0.04 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1cr7 s THR 35 CO 0.76 -0.34 0.33 0.21 -0.54 0.00 0.00 174.62 175.03 1cr7 s ASN 36 N -3.74 6.33 0.10 3.99 3.84 -1.26 -4.89 114.94 119.30 1cr7 s ASN 36 Ca 0.33 0.38 0.21 0.00 0.21 0.00 0.00 52.86 53.98 1cr7 s ASN 36 Cb -0.06 -2.19 0.84 0.00 -0.55 0.00 0.00 41.25 39.29 1cr7 s ASN 36 CO 0.22 -0.05 1.64 0.18 -2.79 0.00 0.00 177.10 176.30 1cr7 n LEU 37 N 4.50 0.29 -0.48 3.21 4.32 -1.26 -3.10 117.00 124.47 1cr7 n LEU 37 Ca -0.10 0.56 0.09 0.00 -0.02 0.00 0.00 56.01 56.53 1cr7 n LEU 37 Cb 0.51 -0.50 0.02 0.00 -1.62 0.00 0.00 43.42 41.83 1cr7 n LEU 37 CO 0.38 -0.30 0.34 0.59 -1.22 0.00 0.00 177.39 177.18 1cr7 n ASN 38 N -1.80 1.91 -4.91 -1.43 3.02 -1.26 -4.97 115.26 105.82 1cr7 n ASN 38 Ca 0.04 -1.46 -0.31 0.00 -0.03 0.00 0.00 54.58 52.82 1cr7 n ASN 38 Cb 0.24 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1cr7 n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1cr7 s LYS 39 N -1.89 3.47 0.03 3.52 1.02 -1.18 -5.09 119.74 119.63 1cr7 s LYS 39 Ca 0.16 -0.36 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1cr7 s LYS 39 Cb 0.14 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1cr7 s LYS 39 CO 0.38 0.59 0.56 0.08 -0.92 0.00 0.00 175.35 176.04 1cr7 s VAL 40 N -1.53 4.85 -1.30 3.17 1.01 -1.26 -4.18 120.40 121.16 1cr7 s VAL 40 Ca 0.36 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 1cr7 s VAL 40 Cb -0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1cr7 s VAL 40 CO 0.27 0.49 0.68 0.59 0.00 0.00 0.00 175.10 177.13 1cr7 n ASN 41 N 2.21 -1.54 -4.77 3.32 5.03 -0.41 -4.92 115.26 114.18 1cr7 n ASN 41 Ca -0.09 -0.85 -0.37 0.00 0.87 0.00 0.00 54.58 54.13 1cr7 n ASN 41 Cb 0.51 -3.93 -0.02 0.00 -1.02 0.00 0.00 39.78 35.32 1cr7 n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 42 N -4.27 6.36 -0.06 6.41 0.15 -1.19 -4.40 113.70 116.70 1cr7 s SER 42 Ca 0.05 2.28 -0.02 0.00 0.70 0.00 0.00 55.95 58.96 1cr7 s SER 42 Cb -0.01 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1cr7 s SER 42 CO 0.82 -0.78 0.13 -0.69 1.20 0.00 0.00 173.24 173.92 1cr7 s VAL 43 N -1.52 -0.11 -0.04 4.45 1.01 -1.26 -2.20 120.40 120.74 1cr7 s VAL 43 Ca 0.61 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 1cr7 s VAL 43 Cb -0.28 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 35.90 1cr7 s VAL 43 CO 0.35 0.10 0.01 -0.83 0.00 0.00 0.00 175.10 174.73 1cr7 s GLY 44 N 1.50 0.25 -0.05 4.51 0.00 -0.98 -0.76 107.32 111.80 1cr7 s GLY 44 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1cr7 s GLY 44 CO -0.05 0.80 -0.07 0.50 0.00 0.00 0.00 173.10 174.27 1cr7 s ARG 45 N 1.32 1.07 -0.08 2.90 0.52 0.12 -2.29 118.95 122.51 1cr7 s ARG 45 Ca -0.06 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1cr7 s ARG 45 Cb -0.13 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 1cr7 s ARG 45 CO -0.02 -0.03 -0.06 0.54 0.02 0.00 0.00 175.30 175.74 1cr7 s VAL 46 N 0.77 3.74 0.04 3.52 0.11 -0.75 -0.93 120.40 126.90 1cr7 s VAL 46 Ca -0.12 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1cr7 s VAL 46 Cb -0.14 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 1cr7 s VAL 46 CO 0.01 0.59 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.56 1cr7 s LEU 47 N -0.72 2.31 0.05 2.54 1.43 -0.66 -1.56 118.68 122.07 1cr7 s LEU 47 Ca 0.11 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 1cr7 s LEU 47 Cb -0.11 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 1cr7 s LEU 47 CO 0.02 -0.31 1.09 -0.47 0.23 0.00 0.00 176.35 176.90 1cr7 s TYR 48 N -1.99 3.56 0.21 0.29 5.04 -0.52 -0.71 117.35 123.23 1cr7 s TYR 48 Ca -0.07 1.52 -0.08 0.00 -2.44 0.00 0.00 57.07 56.00 1cr7 s TYR 48 Cb -0.06 -3.26 0.15 0.00 0.35 0.00 0.00 41.96 39.13 1cr7 s TYR 48 CO -0.02 -0.62 1.76 0.00 -1.34 0.00 0.00 175.55 175.34 1cr7 h ALA 49 N 6.62 1.02 -2.57 3.97 0.00 -0.53 -3.43 119.26 124.34 1cr7 h ALA 49 Ca -0.42 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1cr7 h ALA 49 Cb 1.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1cr7 h ALA 49 CO 0.77 0.66 0.21 1.41 0.00 0.00 0.00 179.25 182.31 1cr7 s MET 50 N -5.50 4.48 0.28 0.00 -2.45 -1.26 -5.01 119.30 109.84 1cr7 s MET 50 Ca -0.12 1.10 -0.29 0.00 -1.25 0.00 0.00 55.69 55.12 1cr7 s MET 50 Cb 0.15 -3.46 -0.10 0.00 1.25 0.00 0.00 34.83 32.68 1cr7 s MET 50 CO 0.84 0.01 1.29 -1.25 1.05 0.00 0.00 175.02 176.96 1cr7 s PRO 51 N 0.92 4.40 -0.18 4.11 0.04 -1.26 -4.88 135.00 138.15 1cr7 s PRO 51 Ca 0.43 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.54 1cr7 s PRO 51 Cb -0.19 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1cr7 s PRO 51 CO 0.22 -0.16 0.01 0.08 0.04 0.00 0.00 177.00 177.18 1cr7 s VAL 52 N -0.74 4.18 -0.61 -0.36 1.01 0.11 -4.91 120.40 119.07 1cr7 s VAL 52 Ca 0.51 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1cr7 s VAL 52 Cb -0.38 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1cr7 s VAL 52 CO 0.47 0.46 1.07 -0.60 0.00 0.00 0.00 175.10 176.50 1cr7 s ARG 53 N 0.59 3.31 0.33 2.72 3.52 -1.26 -0.90 118.95 127.26 1cr7 s ARG 53 Ca -0.00 -0.24 0.24 0.00 -0.13 0.00 0.00 55.73 55.60 1cr7 s ARG 53 Cb -0.14 -4.10 0.38 0.00 -1.56 0.00 0.00 34.95 29.53 1cr7 s ARG 53 CO 0.02 -1.72 1.53 -0.84 -0.81 0.00 0.00 175.30 173.47 1cr7 h ILE 54 N 6.05 0.00 -2.85 4.11 3.07 -0.84 -3.46 117.51 123.59 1cr7 h ILE 54 Ca -0.27 -0.86 -0.03 0.00 1.55 0.00 0.00 64.86 65.26 1cr7 h ILE 54 Cb 1.06 1.74 -0.13 0.00 -0.27 0.00 0.00 36.82 39.22 1cr7 h ILE 54 CO 1.17 0.00 0.19 -1.66 -1.05 0.00 0.00 178.15 176.80 1cr7 s TRP 55 N -3.21 -0.54 -0.05 0.16 1.48 -1.19 0.24 118.94 115.82 1cr7 s TRP 55 Ca 0.06 0.44 0.04 0.00 -1.06 0.00 0.00 56.10 55.59 1cr7 s TRP 55 Cb 0.08 0.52 -0.02 0.00 -1.16 0.00 0.00 33.47 32.89 1cr7 s TRP 55 CO 0.68 -0.80 -0.17 0.45 -4.06 0.00 0.00 176.95 173.05 1cr7 s SER 56 N -2.49 3.80 0.10 -2.66 0.15 -0.68 -4.63 113.70 107.30 1cr7 s SER 56 Ca -0.01 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1cr7 s SER 56 Cb -0.01 -0.82 -0.24 0.00 -1.71 0.00 0.00 66.02 63.25 1cr7 s SER 56 CO -0.09 0.32 1.23 0.77 1.20 0.00 0.00 173.24 176.67 1cr7 h SER 57 N 5.51 0.14 0.75 5.45 4.64 -1.95 -1.52 113.55 126.58 1cr7 h SER 57 Ca -0.43 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 60.69 1cr7 h SER 57 Cb 1.15 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1cr7 h SER 57 CO 0.50 1.12 -0.36 0.00 -0.87 0.00 0.00 176.83 177.22 1cr7 h ALA 58 N 0.86 -1.01 0.02 5.18 0.00 -1.98 -3.33 119.26 119.00 1cr7 h ALA 58 Ca -0.06 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 1cr7 h ALA 58 Cb 1.84 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.99 1cr7 h ALA 58 CO 0.15 -0.96 -1.29 1.79 0.00 0.00 0.00 179.25 178.95 1cr7 h THR 59 N -1.23 1.38 0.00 0.00 1.35 -1.98 -3.48 112.91 108.95 1cr7 h THR 59 Ca -0.10 -3.11 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 1cr7 h THR 59 Cb 0.79 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1cr7 h THR 59 CO 0.17 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1cr7 n GLY 60 N 1.46 0.74 3.82 5.82 0.00 -0.57 -5.05 105.19 111.41 1cr7 n GLY 60 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1cr7 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 61 N -2.90 5.42 0.02 1.61 0.02 -1.25 -4.82 114.94 113.04 1cr7 s ASN 61 Ca 0.00 1.65 0.05 0.00 -1.02 0.00 0.00 52.86 53.54 1cr7 s ASN 61 Cb 0.00 -2.50 -0.02 0.00 0.02 0.00 0.00 41.25 38.75 1cr7 s ASN 61 CO 0.00 -1.42 -0.14 -0.69 0.02 0.00 0.00 177.10 174.87 1cr7 s VAL 62 N -2.96 1.14 0.61 1.60 1.01 -1.26 -1.69 120.40 118.85 1cr7 s VAL 62 Ca 0.59 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1cr7 s VAL 62 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1cr7 s VAL 62 CO 0.52 0.12 1.02 0.00 0.00 0.00 0.00 175.10 176.77 1cr7 s ALA 63 N -0.67 3.09 0.05 5.51 0.00 0.14 -4.70 121.76 125.18 1cr7 s ALA 63 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1cr7 s ALA 63 Cb -0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1cr7 s ALA 63 CO 0.01 -0.63 -0.10 -1.12 0.00 0.00 0.00 175.76 173.92 1cr7 s SER 64 N -4.02 4.41 -0.04 0.00 0.01 -0.49 -4.27 113.70 109.31 1cr7 s SER 64 Ca 0.56 -0.29 -0.06 0.00 1.31 0.00 0.00 55.95 57.47 1cr7 s SER 64 Cb -0.11 -0.91 0.01 0.00 0.21 0.00 0.00 66.02 65.22 1cr7 s SER 64 CO 0.51 0.23 0.15 0.72 0.41 0.00 0.00 173.24 175.26 1cr7 s PHE 65 N -1.09 -0.09 -0.12 2.43 -0.12 -0.90 -0.94 117.98 117.15 1cr7 s PHE 65 Ca 0.19 0.21 0.03 0.00 -0.05 0.00 0.00 56.93 57.30 1cr7 s PHE 65 Cb -0.11 0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.30 1cr7 s PHE 65 CO 0.10 -0.16 -0.21 -1.17 -0.05 0.00 0.00 175.22 173.74 1cr7 s LEU 66 N -0.46 2.24 -0.07 -1.99 2.96 0.65 -0.95 118.68 121.06 1cr7 s LEU 66 Ca -0.05 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1cr7 s LEU 66 Cb -0.04 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.20 1cr7 s LEU 66 CO 0.01 0.14 0.18 0.28 -1.32 0.00 0.00 176.35 175.63 1cr7 s THR 67 N 0.50 -0.00 0.05 3.68 -1.32 0.06 -1.14 115.64 117.47 1cr7 s THR 67 Ca -0.14 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1cr7 s THR 67 Cb -0.17 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 1cr7 s THR 67 CO 0.05 0.00 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.45 1cr7 s SER 68 N 0.13 0.84 0.08 8.08 1.04 -0.89 0.16 113.70 123.14 1cr7 s SER 68 Ca -0.00 -0.66 -0.26 0.00 0.48 0.00 0.00 55.95 55.51 1cr7 s SER 68 Cb -0.02 0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.24 1cr7 s SER 68 CO 0.00 -0.28 0.69 0.72 0.98 0.00 0.00 173.24 175.35 1cr7 s PHE 69 N -1.95 -0.51 0.01 5.02 -0.12 -0.58 -1.81 117.98 118.04 1cr7 s PHE 69 Ca -0.05 0.45 0.06 0.00 -0.05 0.00 0.00 56.93 57.34 1cr7 s PHE 69 Cb -0.06 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 1cr7 s PHE 69 CO -0.01 -0.73 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.70 1cr7 s SER 70 N -2.37 2.28 0.33 1.98 1.04 -1.21 -0.84 113.70 114.92 1cr7 s SER 70 Ca -0.00 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1cr7 s SER 70 Cb -0.01 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 1cr7 s SER 70 CO -0.08 0.19 0.19 2.22 0.98 0.00 0.00 173.24 176.74 1cr7 n PHE 71 N 2.26 -0.26 -3.67 5.02 1.16 -0.62 -0.60 117.46 120.76 1cr7 n PHE 71 Ca -0.16 -2.41 -0.12 0.00 -1.87 0.00 0.00 57.45 52.89 1cr7 n PHE 71 Cb 0.53 0.12 -0.08 0.00 -1.61 0.00 0.00 39.48 38.44 1cr7 n PHE 71 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1cr7 s GLU 72 N -3.31 0.66 -0.08 3.97 2.12 -0.22 -1.54 118.70 120.30 1cr7 s GLU 72 Ca 0.26 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.54 1cr7 s GLU 72 Cb 0.01 0.25 -0.00 0.00 0.26 0.00 0.00 34.13 34.65 1cr7 s GLU 72 CO 0.19 -0.11 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.95 1cr7 s MET 73 N 0.73 2.52 0.03 4.30 -1.94 -1.26 -0.48 119.30 123.19 1cr7 s MET 73 Ca -0.03 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.21 1cr7 s MET 73 Cb -0.05 -2.01 -0.02 0.00 2.01 0.00 0.00 34.83 34.77 1cr7 s MET 73 CO -0.05 0.21 -0.11 0.21 -0.01 0.00 0.00 175.02 175.27 1cr7 s LYS 74 N 0.23 0.75 0.43 2.03 2.20 -0.79 -0.89 119.74 123.70 1cr7 s LYS 74 Ca -0.12 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.66 1cr7 s LYS 74 Cb -0.16 -0.70 -0.10 0.00 -1.51 0.00 0.00 37.83 35.37 1cr7 s LYS 74 CO 0.06 0.17 1.00 -0.51 -0.36 0.00 0.00 175.35 175.72 1cr7 s ASP 75 N -0.94 6.73 -0.03 1.43 -0.00 -1.26 -0.31 116.67 122.29 1cr7 s ASP 75 Ca -0.00 1.87 0.05 0.00 -0.00 0.00 0.00 52.55 54.47 1cr7 s ASP 75 Cb -0.07 -2.56 -0.01 0.00 -0.00 0.00 0.00 42.92 40.28 1cr7 s ASP 75 CO 0.01 -0.51 -0.18 0.27 -0.00 0.00 0.00 175.17 174.76 1cr7 s ILE 76 N -1.93 1.46 0.26 0.77 -4.36 -1.26 -4.81 121.20 111.33 1cr7 s ILE 76 Ca 0.62 -0.76 -0.29 0.00 -0.26 0.00 0.00 60.65 59.95 1cr7 s ILE 76 Cb -0.16 -1.23 -0.15 0.00 1.25 0.00 0.00 42.46 42.18 1cr7 s ILE 76 CO 0.20 0.41 0.96 1.17 0.24 0.00 0.00 174.94 177.93 1cr7 n LYS 77 N 2.83 1.13 -0.00 0.37 4.81 -1.26 -2.49 118.16 123.56 1cr7 n LYS 77 Ca -0.16 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1cr7 n LYS 77 Cb 0.53 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1cr7 n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1cr7 n ASP 78 N 1.44 0.00 -4.51 3.14 8.00 -1.26 -4.97 116.55 118.39 1cr7 n ASP 78 Ca 0.12 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1cr7 n ASP 78 Cb 0.30 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.59 1cr7 n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cr7 s TYR 79 N -2.08 2.63 0.12 1.24 1.51 -1.04 -5.03 117.35 114.71 1cr7 s TYR 79 Ca 0.00 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 1cr7 s TYR 79 Cb 0.00 -1.43 -0.07 0.00 -0.11 0.00 0.00 41.96 40.35 1cr7 s TYR 79 CO 0.00 0.35 1.22 -0.51 -1.11 0.00 0.00 175.55 175.50 1cr7 s ASP 80 N -1.85 7.06 -0.63 2.29 -0.00 -0.54 -4.61 116.67 118.39 1cr7 s ASP 80 Ca 0.18 2.14 -0.26 0.00 -0.00 0.00 0.00 52.55 54.60 1cr7 s ASP 80 Cb -0.11 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 1cr7 s ASP 80 CO 0.09 -0.44 2.00 -2.84 -0.00 0.00 0.00 175.17 173.98 1cr7 s PRO 81 N 0.51 2.47 0.19 8.23 0.02 -1.26 -1.02 135.00 144.14 1cr7 s PRO 81 Ca 0.57 0.65 -0.17 0.00 0.02 0.00 0.00 61.00 62.07 1cr7 s PRO 81 Cb -0.31 -4.53 0.03 0.00 0.02 0.00 0.00 34.50 29.70 1cr7 s PRO 81 CO 0.32 -3.00 0.50 0.00 -0.33 0.00 0.00 177.00 174.50 1cr7 s ALA 82 N 10.07 -0.86 -0.18 -1.55 0.00 -1.26 -4.57 121.76 123.41 1cr7 s ALA 82 Ca 0.75 -0.27 0.15 0.00 0.00 0.00 0.00 51.96 52.59 1cr7 s ALA 82 Cb -0.13 0.85 -0.22 0.00 0.00 0.00 0.00 23.12 23.62 1cr7 s ALA 82 CO 0.19 -0.79 0.05 -0.25 0.00 0.00 0.00 175.76 174.96 1cr7 n ASP 83 N -0.33 0.64 0.00 0.00 8.00 -0.49 -2.98 116.55 121.39 1cr7 n ASP 83 Ca -0.10 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1cr7 n ASP 83 Cb 0.63 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 1cr7 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cr7 n GLY 84 N 1.91 1.52 3.50 0.44 0.00 -1.26 -1.34 105.19 109.96 1cr7 n GLY 84 Ca -0.30 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1cr7 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cr7 s ILE 85 N -1.23 2.94 -0.07 -0.61 1.01 -1.08 -3.65 121.20 118.51 1cr7 s ILE 85 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1cr7 s ILE 85 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1cr7 s ILE 85 CO 0.00 0.18 -0.04 -0.51 0.00 0.00 0.00 174.94 174.57 1cr7 s ILE 86 N -1.09 0.61 -0.12 2.92 2.07 -0.37 -0.13 121.20 125.09 1cr7 s ILE 86 Ca 0.18 -0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 59.04 1cr7 s ILE 86 Cb -0.11 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1cr7 s ILE 86 CO 0.09 0.27 0.91 0.12 -1.91 0.00 0.00 174.94 174.42 1cr7 s PHE 87 N 1.35 3.49 0.16 3.50 5.36 -0.24 -1.98 117.98 129.62 1cr7 s PHE 87 Ca -0.04 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1cr7 s PHE 87 Cb -0.14 -3.09 -0.04 0.00 -0.34 0.00 0.00 43.02 39.42 1cr7 s PHE 87 CO -0.03 -0.20 0.04 -0.59 -1.46 0.00 0.00 175.22 172.98 1cr7 s PHE 88 N 1.94 1.08 -0.04 10.12 -0.12 0.70 0.07 117.98 131.72 1cr7 s PHE 88 Ca 0.44 -1.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1cr7 s PHE 88 Cb -0.18 -0.61 0.02 0.00 -0.63 0.00 0.00 43.02 41.63 1cr7 s PHE 88 CO 0.16 -0.37 -0.03 0.42 -0.05 0.00 0.00 175.22 175.35 1cr7 s ILE 89 N -3.85 0.46 0.27 -4.49 1.01 0.11 -1.26 121.20 113.45 1cr7 s ILE 89 Ca 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1cr7 s ILE 89 Cb 0.07 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 1cr7 s ILE 89 CO 0.04 0.22 0.43 0.00 0.00 0.00 0.00 174.94 175.62 1cr7 s ALA 90 N 1.04 0.31 0.68 9.38 0.00 -0.87 -0.06 121.76 132.24 1cr7 s ALA 90 Ca -0.09 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 1cr7 s ALA 90 Cb -0.14 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 1cr7 s ALA 90 CO -0.01 -0.79 1.03 -2.30 0.00 0.00 0.00 175.76 173.69 1cr7 n PRO 91 N -0.43 0.71 0.32 0.00 -0.02 -1.26 -0.87 135.00 133.46 1cr7 n PRO 91 Ca -0.00 0.30 0.20 0.00 -2.02 0.00 0.00 63.50 61.97 1cr7 n PRO 91 Cb 0.62 -2.27 1.11 0.00 -0.02 0.00 0.00 33.50 32.94 1cr7 n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1cr7 h GLU 92 N 0.07 0.00 -0.15 -0.52 4.11 -1.85 -0.43 114.58 115.81 1cr7 h GLU 92 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1cr7 h GLU 92 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1cr7 h GLU 92 CO 0.49 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.17 1cr7 n ASP 93 N -3.37 1.41 -4.63 3.06 5.68 -1.26 -4.95 116.55 112.49 1cr7 n ASP 93 Ca -0.03 -1.69 -0.45 0.00 -0.50 0.00 0.00 54.79 52.12 1cr7 n ASP 93 Cb 0.08 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 39.94 1cr7 n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1cr7 n THR 94 N 0.16 1.44 -4.05 2.12 5.66 -0.17 -5.01 114.28 114.42 1cr7 n THR 94 Ca 0.15 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.70 1cr7 n THR 94 Cb 0.28 -1.19 -0.08 0.00 -1.55 0.00 0.00 70.33 67.79 1cr7 n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1cr7 s GLN 95 N -1.00 1.13 0.21 1.09 -1.52 -1.26 -5.07 119.66 113.25 1cr7 s GLN 95 Ca 0.64 -1.32 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 1cr7 s GLN 95 Cb -0.70 0.33 -0.10 0.00 -0.22 0.00 0.00 33.01 32.32 1cr7 s GLN 95 CO 0.56 -0.39 1.48 0.42 -0.25 0.00 0.00 175.29 177.10 1cr7 s ILE 96 N -4.02 2.68 0.26 1.08 1.01 -1.26 -4.90 121.20 116.04 1cr7 s ILE 96 Ca 0.23 0.53 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 1cr7 s ILE 96 Cb 0.05 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 39.03 1cr7 s ILE 96 CO 0.03 0.07 1.10 -2.65 0.00 0.00 0.00 174.94 173.49 1cr7 n PRO 97 N 2.97 1.44 -1.83 2.79 -0.02 -1.26 -4.86 135.00 134.22 1cr7 n PRO 97 Ca 0.09 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1cr7 n PRO 97 Cb 0.40 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1cr7 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr7 s ALA 98 N -0.76 3.83 -1.39 3.55 0.00 -1.26 -2.23 121.76 123.50 1cr7 s ALA 98 Ca 0.63 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 54.04 1cr7 s ALA 98 Cb -0.72 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1cr7 s ALA 98 CO 0.57 -0.87 0.42 0.41 0.00 0.00 0.00 175.76 176.29 1cr7 n GLY 99 N 3.45 -0.36 3.70 0.00 0.00 -1.26 -4.92 105.19 105.81 1cr7 n GLY 99 Ca 0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1cr7 n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cr7 n SER 100 N -1.82 3.13 -1.16 1.61 2.88 -0.95 -4.89 113.62 112.42 1cr7 n SER 100 Ca -0.12 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 1cr7 n SER 100 Cb 0.62 -1.50 0.27 0.00 -0.75 0.00 0.00 64.21 62.84 1cr7 n SER 100 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1cr7 n ILE 101 N 1.53 1.03 -0.91 2.46 -5.35 -1.26 -5.03 119.36 111.83 1cr7 n ILE 101 Ca 0.09 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1cr7 n ILE 101 Cb 0.34 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1cr7 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cr7 n GLY 102 N 1.25 3.15 7.00 3.28 0.00 -1.26 -4.80 105.19 113.81 1cr7 n GLY 102 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1cr7 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 103 N 0.00 2.72 0.01 -0.02 0.00 -0.58 -2.15 105.19 105.18 1cr7 n GLY 103 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1cr7 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 104 N 0.00 -0.77 0.00 -0.02 0.00 -1.26 -2.62 105.19 100.51 1cr7 n GLY 104 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1cr7 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cr7 n THR 105 N -1.58 0.06 -0.94 2.61 -2.24 -0.91 -4.90 114.28 106.37 1cr7 n THR 105 Ca 0.02 0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1cr7 n THR 105 Cb 0.09 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 1cr7 n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cr7 n LEU 106 N -1.19 -0.24 -0.17 3.22 4.77 -1.08 -1.23 117.00 121.08 1cr7 n LEU 106 Ca 0.16 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 1cr7 n LEU 106 Cb 0.19 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 39.80 1cr7 n LEU 106 CO 0.20 -0.46 -0.02 0.61 -1.33 0.00 0.00 177.39 176.39 1cr7 n GLY 107 N 0.06 0.56 0.00 -0.72 0.00 -1.26 -3.72 105.19 100.11 1cr7 n GLY 107 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1cr7 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cr7 n VAL 108 N -2.89 0.00 -4.49 1.61 0.24 -0.37 -4.55 118.33 107.88 1cr7 n VAL 108 Ca -0.02 -0.25 -0.24 0.00 -2.04 0.00 0.00 64.34 61.79 1cr7 n VAL 108 Cb 0.09 0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 1cr7 n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cr7 s SER 109 N -0.67 2.63 0.38 -1.34 1.04 -1.00 -4.61 113.70 110.13 1cr7 s SER 109 Ca 0.00 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1cr7 s SER 109 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1cr7 s SER 109 CO 0.00 -0.71 0.00 -0.90 0.98 0.00 0.00 173.24 172.61 1cr7 n ASP 110 N -0.90 0.00 -0.10 7.02 5.68 -0.24 -4.76 116.55 123.25 1cr7 n ASP 110 Ca -0.04 -0.43 0.01 0.00 -0.50 0.00 0.00 54.79 53.82 1cr7 n ASP 110 Cb 0.66 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.94 1cr7 n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1cr7 h THR 111 N -0.38 1.17 0.00 2.12 2.02 -1.95 -1.47 112.91 114.42 1cr7 h THR 111 Ca 0.00 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1cr7 h THR 111 Cb 0.00 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1cr7 h THR 111 CO 0.00 0.19 0.00 0.11 0.37 0.00 0.00 175.52 176.19 1cr7 h LYS 112 N 0.75 0.00 0.00 6.66 1.79 -1.99 -3.47 116.57 120.31 1cr7 h LYS 112 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1cr7 h LYS 112 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1cr7 h LYS 112 CO -0.03 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 1cr7 n GLY 113 N 0.53 0.65 3.88 3.86 0.00 -0.55 -4.88 105.19 108.69 1cr7 n GLY 113 Ca 0.03 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1cr7 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 114 N -2.00 3.89 0.17 4.61 0.00 -1.26 -0.47 121.76 126.70 1cr7 s ALA 114 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 1cr7 s ALA 114 Cb 0.00 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.39 1cr7 s ALA 114 CO 0.00 0.76 0.90 0.41 0.00 0.00 0.00 175.76 177.83 1cr7 n GLY 115 N 0.78 0.70 3.01 0.00 0.00 -0.97 -1.08 105.19 107.63 1cr7 n GLY 115 Ca -0.10 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1cr7 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cr7 s HIS 116 N -2.60 3.38 0.20 1.61 2.46 -1.26 -4.39 115.29 114.69 1cr7 s HIS 116 Ca 0.20 -3.03 -0.24 0.00 0.47 0.00 0.00 55.06 52.46 1cr7 s HIS 116 Cb -0.03 -2.98 0.05 0.00 -0.13 0.00 0.00 32.58 29.50 1cr7 s HIS 116 CO 0.05 -0.75 0.87 -0.59 -2.47 0.00 0.00 174.74 171.85 1cr7 s PHE 117 N -0.50 -0.16 -0.03 3.88 -0.12 -1.26 -4.30 117.98 115.49 1cr7 s PHE 117 Ca 0.19 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1cr7 s PHE 117 Cb -0.19 0.66 0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1cr7 s PHE 117 CO -0.05 -0.97 -0.04 0.08 -0.05 0.00 0.00 175.22 174.19 1cr7 s VAL 118 N -3.51 0.49 0.28 -2.49 1.01 0.92 -0.27 120.40 116.83 1cr7 s VAL 118 Ca 0.12 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1cr7 s VAL 118 Cb -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1cr7 s VAL 118 CO 0.04 0.20 0.78 -0.83 0.00 0.00 0.00 175.10 175.29 1cr7 s GLY 119 N 0.72 -0.02 -0.26 4.51 0.00 0.44 0.06 107.32 112.76 1cr7 s GLY 119 Ca -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.27 1cr7 s GLY 119 CO 0.00 -0.03 -0.01 0.14 0.00 0.00 0.00 173.10 173.19 1cr7 s VAL 120 N -3.47 3.25 0.11 1.40 1.01 0.11 -0.42 120.40 122.39 1cr7 s VAL 120 Ca 0.12 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1cr7 s VAL 120 Cb -0.05 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1cr7 s VAL 120 CO 0.07 0.17 0.37 -1.83 0.00 0.00 0.00 175.10 173.89 1cr7 s GLU 121 N 1.39 3.66 -0.66 2.72 -1.05 0.44 -1.08 118.70 124.12 1cr7 s GLU 121 Ca 0.01 -0.01 0.05 0.00 -0.15 0.00 0.00 54.97 54.88 1cr7 s GLU 121 Cb -0.17 -2.91 0.19 0.00 -0.44 0.00 0.00 34.13 30.80 1cr7 s GLU 121 CO -0.02 0.51 0.53 1.19 0.95 0.00 0.00 175.26 178.42 1cr7 n PHE 122 N 0.44 2.83 -2.87 4.83 3.01 0.81 -1.22 117.46 125.29 1cr7 n PHE 122 Ca -0.05 -4.16 -0.41 0.00 1.01 0.00 0.00 57.45 53.83 1cr7 n PHE 122 Cb 0.52 -0.52 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1cr7 n PHE 122 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1cr7 s ASP 123 N -1.52 7.01 0.00 4.37 3.68 -0.51 -2.62 116.67 127.07 1cr7 s ASP 123 Ca 0.29 1.24 0.16 0.00 2.13 0.00 0.00 52.55 56.37 1cr7 s ASP 123 Cb 0.01 -2.47 0.15 0.00 -1.45 0.00 0.00 42.92 39.16 1cr7 s ASP 123 CO -0.14 -0.37 1.03 0.35 0.13 0.00 0.00 175.17 176.17 1cr7 n THR 124 N 4.59 0.07 -4.54 1.71 -2.24 -0.45 -1.77 114.28 111.65 1cr7 n THR 124 Ca 0.04 -0.54 -0.24 0.00 -2.27 0.00 0.00 64.05 61.05 1cr7 n THR 124 Cb 0.49 1.28 -0.16 0.00 -2.10 0.00 0.00 70.33 69.83 1cr7 n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1cr7 s TYR 125 N -1.31 1.33 -0.57 4.78 5.04 -1.23 -4.81 117.35 120.58 1cr7 s TYR 125 Ca 0.20 -0.45 -0.24 0.00 -2.44 0.00 0.00 57.07 54.13 1cr7 s TYR 125 Cb 0.14 -0.98 0.04 0.00 0.35 0.00 0.00 41.96 41.51 1cr7 s TYR 125 CO 0.20 -0.23 0.97 0.45 -1.34 0.00 0.00 175.55 175.61 1cr7 s SER 126 N 0.55 6.33 -0.72 4.32 0.15 -1.26 -5.00 113.70 118.07 1cr7 s SER 126 Ca -0.12 -0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 1cr7 s SER 126 Cb -0.14 -2.45 0.19 0.00 -1.71 0.00 0.00 66.02 61.91 1cr7 s SER 126 CO 0.03 -1.28 0.66 0.20 1.20 0.00 0.00 173.24 174.05 1cr7 s ASN 127 N 2.95 6.53 0.56 5.45 -0.87 -1.26 -4.94 114.94 123.35 1cr7 s ASN 127 Ca 0.31 -2.38 0.36 0.00 -1.57 0.00 0.00 52.86 49.58 1cr7 s ASN 127 Cb -0.12 -2.20 1.51 0.00 -0.02 0.00 0.00 41.25 40.42 1cr7 s ASN 127 CO 0.19 -0.67 1.76 0.77 -2.57 0.00 0.00 177.10 176.58 1cr7 h SER 128 N 8.16 0.00 0.74 -1.22 4.64 -1.95 0.29 113.55 124.21 1cr7 h SER 128 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1cr7 h SER 128 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1cr7 h SER 128 CO 0.85 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.86 1cr7 h GLU 129 N 0.00 0.00 -0.23 4.77 9.09 -1.96 -1.81 114.58 124.43 1cr7 h GLU 129 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 1cr7 h GLU 129 Cb 2.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.39 1cr7 h GLU 129 CO -0.01 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.71 1cr7 n TYR 130 N -2.77 0.83 -3.13 2.06 0.53 0.10 -4.96 117.16 109.82 1cr7 n TYR 130 Ca 0.00 -0.88 -0.22 0.00 -1.02 0.00 0.00 57.90 55.79 1cr7 n TYR 130 Cb 0.23 -0.29 0.01 0.00 -1.03 0.00 0.00 39.34 38.26 1cr7 n TYR 130 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1cr7 n ASN 131 N -0.59 -4.64 -4.77 7.72 3.02 -0.68 -4.31 115.26 111.02 1cr7 n ASN 131 Ca 0.21 -0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.08 1cr7 n ASN 131 Cb 0.86 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 1cr7 n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1cr7 s ASP 132 N -2.63 6.10 0.73 6.41 1.11 -1.18 -4.93 116.67 122.28 1cr7 s ASP 132 Ca 0.32 2.68 -0.12 0.00 0.18 0.00 0.00 52.55 55.61 1cr7 s ASP 132 Cb -0.16 -2.64 0.03 0.00 1.07 0.00 0.00 42.92 41.23 1cr7 s ASP 132 CO 0.39 -1.00 1.10 -2.84 1.18 0.00 0.00 175.17 174.01 1cr7 s PRO 133 N -2.40 2.46 0.00 8.23 0.02 -1.26 -4.74 135.00 137.32 1cr7 s PRO 133 Ca 0.60 1.28 0.05 0.00 0.02 0.00 0.00 61.00 62.95 1cr7 s PRO 133 Cb -0.38 -1.92 0.30 0.00 0.02 0.00 0.00 34.50 32.52 1cr7 s PRO 133 CO 0.49 -1.50 0.69 -0.35 -0.33 0.00 0.00 177.00 175.99 1cr7 n PRO 134 N -3.06 0.33 -4.27 5.54 -0.04 -1.26 -4.67 135.00 127.58 1cr7 n PRO 134 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1cr7 n PRO 134 Cb 0.52 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 1cr7 n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cr7 s THR 135 N -2.00 0.02 0.62 0.52 -4.23 -1.26 -4.97 115.64 104.35 1cr7 s THR 135 Ca 0.08 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.40 1cr7 s THR 135 Cb 0.03 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1cr7 s THR 135 CO 0.06 0.00 1.29 -1.81 -0.54 0.00 0.00 174.62 173.62 1cr7 s ASP 136 N -3.33 4.80 0.12 3.99 -0.00 -1.25 -4.83 116.67 116.17 1cr7 s ASP 136 Ca 0.40 2.60 -0.25 0.00 -0.00 0.00 0.00 52.55 55.30 1cr7 s ASP 136 Cb 0.03 -2.62 0.07 0.00 -0.00 0.00 0.00 42.92 40.41 1cr7 s ASP 136 CO 0.24 -1.87 0.74 -1.38 -0.00 0.00 0.00 175.17 172.90 1cr7 s HIS 137 N -1.42 -0.40 -0.01 4.23 -3.43 -0.73 -0.99 115.29 112.55 1cr7 s HIS 137 Ca 0.80 0.18 0.01 0.00 -0.80 0.00 0.00 55.06 55.26 1cr7 s HIS 137 Cb -0.37 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1cr7 s HIS 137 CO 0.39 -0.79 -0.01 0.08 -2.00 0.00 0.00 174.74 172.42 1cr7 s VAL 138 N -3.52 4.11 0.01 -5.38 1.01 -0.96 -1.43 120.40 114.25 1cr7 s VAL 138 Ca 0.04 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1cr7 s VAL 138 Cb -0.02 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1cr7 s VAL 138 CO -0.08 0.39 0.23 -0.83 0.00 0.00 0.00 175.10 174.81 1cr7 s GLY 139 N -1.51 -0.04 -0.35 4.51 0.00 -0.36 -1.54 107.32 108.04 1cr7 s GLY 139 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.80 1cr7 s GLY 139 CO 0.09 -0.19 0.18 -0.42 0.00 0.00 0.00 173.10 172.76 1cr7 s ILE 140 N -1.86 4.52 -0.21 0.90 -1.09 -0.50 -0.42 121.20 122.54 1cr7 s ILE 140 Ca -0.10 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1cr7 s ILE 140 Cb -0.04 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1cr7 s ILE 140 CO 0.00 -0.11 0.09 -1.81 -1.23 0.00 0.00 174.94 171.88 1cr7 s ASP 141 N 1.57 5.65 -0.30 3.58 -0.00 0.44 -0.92 116.67 126.69 1cr7 s ASP 141 Ca 0.03 0.02 0.02 0.00 -0.00 0.00 0.00 52.55 52.62 1cr7 s ASP 141 Cb -0.18 -1.99 0.09 0.00 -0.00 0.00 0.00 42.92 40.83 1cr7 s ASP 141 CO 0.06 0.10 0.03 -0.69 -0.00 0.00 0.00 175.17 174.66 1cr7 s VAL 142 N 0.85 1.73 -2.08 -1.27 1.01 -1.26 -0.42 120.40 118.95 1cr7 s VAL 142 Ca 0.05 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1cr7 s VAL 142 Cb -0.13 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1cr7 s VAL 142 CO 0.02 -0.46 0.00 0.59 0.00 0.00 0.00 175.10 175.26 1cr7 n ASN 143 N 4.52 -5.47 -3.61 3.32 5.03 0.63 -4.91 115.26 114.78 1cr7 n ASN 143 Ca -0.03 0.43 -0.05 0.00 0.87 0.00 0.00 54.58 55.81 1cr7 n ASN 143 Cb 0.42 -4.71 -0.04 0.00 -1.02 0.00 0.00 39.78 34.44 1cr7 n ASN 143 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 144 N -2.70 -0.15 0.00 6.41 0.15 -1.26 -2.30 113.70 113.85 1cr7 s SER 144 Ca 0.00 0.11 0.28 0.00 0.70 0.00 0.00 55.95 57.05 1cr7 s SER 144 Cb 0.00 0.13 1.15 0.00 -1.71 0.00 0.00 66.02 65.59 1cr7 s SER 144 CO 0.00 -0.17 1.80 1.33 1.20 0.00 0.00 173.24 177.40 1cr7 n VAL 145 N 0.37 0.00 -2.88 4.45 0.24 0.38 -4.41 118.33 116.47 1cr7 n VAL 145 Ca -0.02 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.34 61.64 1cr7 n VAL 145 Cb 0.58 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 1cr7 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cr7 s ASP 146 N -2.07 6.71 0.25 -1.34 3.68 -1.26 -4.94 116.67 117.70 1cr7 s ASP 146 Ca 0.38 -2.18 -0.28 0.00 2.13 0.00 0.00 52.55 52.60 1cr7 s ASP 146 Cb 0.21 -2.42 -0.15 0.00 -1.45 0.00 0.00 42.92 39.10 1cr7 s ASP 146 CO 0.36 -1.05 0.85 -1.20 0.13 0.00 0.00 175.17 174.26 1cr7 n SER 147 N 6.68 0.40 0.18 -0.34 7.64 -1.26 -4.83 113.62 122.09 1cr7 n SER 147 Ca 0.28 1.16 0.04 0.00 1.01 0.00 0.00 58.87 61.36 1cr7 n SER 147 Cb 0.48 -1.16 0.35 0.00 -1.01 0.00 0.00 64.21 62.87 1cr7 n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cr7 h VAL 148 N 1.70 1.12 -1.86 0.44 2.07 -1.36 -3.45 116.25 114.92 1cr7 h VAL 148 Ca -0.36 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1cr7 h VAL 148 Cb 1.38 1.81 -0.22 0.00 -1.52 0.00 0.00 31.29 32.74 1cr7 h VAL 148 CO 0.60 0.39 0.27 -0.75 0.02 0.00 0.00 177.57 178.10 1cr7 s LYS 149 N -3.91 0.80 0.16 1.57 2.20 -1.24 -5.01 119.74 114.32 1cr7 s LYS 149 Ca -0.02 0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1cr7 s LYS 149 Cb 0.13 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.79 1cr7 s LYS 149 CO 0.71 -0.17 0.06 0.95 -0.36 0.00 0.00 175.35 176.54 1cr7 s THR 150 N -0.27 0.25 -0.07 3.43 -4.23 -1.26 -1.41 115.64 112.08 1cr7 s THR 150 Ca -0.03 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1cr7 s THR 150 Cb -0.03 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.67 1cr7 s THR 150 CO 0.02 -0.37 0.17 0.54 -0.54 0.00 0.00 174.62 174.43 1cr7 s VAL 151 N -3.95 -0.02 0.29 2.29 0.11 -0.59 -4.99 120.40 113.54 1cr7 s VAL 151 Ca 0.27 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.11 1cr7 s VAL 151 Cb 0.07 -0.25 -0.13 0.00 -1.53 0.00 0.00 36.38 34.54 1cr7 s VAL 151 CO 0.04 0.03 1.20 -2.65 -3.33 0.00 0.00 175.10 170.39 1cr7 n PRO 152 N 3.55 1.75 -4.04 1.54 -0.02 -1.26 -2.27 135.00 134.25 1cr7 n PRO 152 Ca -0.19 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1cr7 n PRO 152 Cb 0.56 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1cr7 n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1cr7 s TRP 153 N -0.82 0.61 -0.13 6.00 -0.00 -0.16 -4.78 118.94 119.67 1cr7 s TRP 153 Ca 0.60 -0.95 -0.03 0.00 -0.00 0.00 0.00 56.10 55.73 1cr7 s TRP 153 Cb -0.65 -0.18 0.04 0.00 -0.00 0.00 0.00 33.47 32.68 1cr7 s TRP 153 CO 0.58 -0.72 0.03 1.21 -0.00 0.00 0.00 176.95 178.05 1cr7 s ASN 154 N -3.03 2.10 -0.27 5.86 2.47 -1.26 -3.89 114.94 116.93 1cr7 s ASN 154 Ca 0.24 -0.40 -0.22 0.00 0.42 0.00 0.00 52.86 52.90 1cr7 s ASN 154 Cb 0.04 -0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 39.40 1cr7 s ASN 154 CO 0.04 -0.26 0.71 -0.55 -3.72 0.00 0.00 177.10 173.32 1cr7 s SER 155 N 1.98 6.65 -0.24 -4.21 0.15 -1.26 -5.04 113.70 111.73 1cr7 s SER 155 Ca 0.03 0.75 -0.08 0.00 0.70 0.00 0.00 55.95 57.34 1cr7 s SER 155 Cb -0.14 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1cr7 s SER 155 CO -0.07 -0.46 0.10 -0.69 1.20 0.00 0.00 173.24 173.32 1cr7 s VAL 156 N 2.68 4.74 0.04 4.45 1.01 -1.26 -5.05 120.40 127.01 1cr7 s VAL 156 Ca 0.29 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1cr7 s VAL 156 Cb -0.15 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1cr7 s VAL 156 CO 0.09 0.35 1.94 -0.55 0.00 0.00 0.00 175.10 176.94 1cr7 s SER 157 N 1.27 6.46 0.00 3.32 0.15 -1.26 -2.30 113.70 121.33 1cr7 s SER 157 Ca 0.06 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1cr7 s SER 157 Cb -0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1cr7 s SER 157 CO 0.05 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1cr7 n GLY 158 N 4.51 0.79 3.83 9.45 0.00 -0.07 -4.93 105.19 118.76 1cr7 n GLY 158 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1cr7 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 159 N -3.01 3.67 -0.20 4.61 0.00 -0.97 -4.98 121.76 120.87 1cr7 s ALA 159 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1cr7 s ALA 159 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1cr7 s ALA 159 CO 0.00 0.46 0.80 0.08 0.00 0.00 0.00 175.76 177.09 1cr7 s VAL 160 N -1.07 4.89 -0.10 0.00 1.01 -1.26 -4.36 120.40 119.51 1cr7 s VAL 160 Ca 0.25 1.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 1cr7 s VAL 160 Cb -0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1cr7 s VAL 160 CO 0.15 -0.00 0.04 -0.69 0.00 0.00 0.00 175.10 174.59 1cr7 s VAL 161 N 2.40 4.60 -0.10 2.92 1.01 -0.59 -4.29 120.40 126.35 1cr7 s VAL 161 Ca 0.35 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1cr7 s VAL 161 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1cr7 s VAL 161 CO 0.10 0.60 -0.12 -0.54 0.00 0.00 0.00 175.10 175.14 1cr7 s LYS 162 N -0.79 3.11 -0.03 2.72 1.02 -0.86 -1.58 119.74 123.33 1cr7 s LYS 162 Ca 0.12 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1cr7 s LYS 162 Cb -0.12 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1cr7 s LYS 162 CO 0.03 0.38 -0.17 0.08 -0.92 0.00 0.00 175.35 174.75 1cr7 s VAL 163 N -0.08 1.39 -0.02 3.17 1.01 -0.02 -0.14 120.40 125.71 1cr7 s VAL 163 Ca -0.01 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1cr7 s VAL 163 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1cr7 s VAL 163 CO 0.03 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.42 1cr7 s THR 164 N -0.17 1.77 -0.03 3.92 2.01 -0.05 -1.53 115.64 121.56 1cr7 s THR 164 Ca 0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1cr7 s THR 164 Cb -0.09 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1cr7 s THR 164 CO 0.01 0.50 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 1cr7 s VAL 165 N -0.45 0.28 -0.05 3.82 1.01 0.12 -0.85 120.40 124.29 1cr7 s VAL 165 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1cr7 s VAL 165 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1cr7 s VAL 165 CO -0.00 0.15 -0.16 -0.63 0.00 0.00 0.00 175.10 174.46 1cr7 s ILE 166 N 0.78 1.34 -0.18 2.22 1.01 -0.36 -0.76 121.20 125.25 1cr7 s ILE 166 Ca -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1cr7 s ILE 166 Cb -0.12 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.21 1cr7 s ILE 166 CO -0.01 0.39 -0.15 -0.47 0.00 0.00 0.00 174.94 174.70 1cr7 s TYR 167 N 0.26 2.53 -0.25 3.97 5.04 -0.13 -0.63 117.35 128.14 1cr7 s TYR 167 Ca -0.08 -1.55 -0.15 0.00 -2.44 0.00 0.00 57.07 52.85 1cr7 s TYR 167 Cb -0.13 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1cr7 s TYR 167 CO 0.03 -0.75 0.39 0.34 -1.34 0.00 0.00 175.55 174.22 1cr7 s ASP 168 N 1.37 6.33 0.22 4.32 2.15 -0.50 -2.13 116.67 128.43 1cr7 s ASP 168 Ca 0.02 0.39 -0.07 0.00 0.43 0.00 0.00 52.55 53.32 1cr7 s ASP 168 Cb -0.14 -2.22 0.19 0.00 -0.30 0.00 0.00 42.92 40.45 1cr7 s ASP 168 CO -0.10 -0.16 1.76 0.77 -0.17 0.00 0.00 175.17 177.27 1cr7 h SER 169 N 7.87 1.03 0.23 -0.34 4.64 -1.85 -0.04 113.55 125.10 1cr7 h SER 169 Ca -0.33 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1cr7 h SER 169 Cb 1.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1cr7 h SER 169 CO 0.68 0.96 -0.11 0.77 -0.87 0.00 0.00 176.83 178.25 1cr7 h SER 170 N 1.06 -0.27 0.94 4.97 4.64 -1.93 -3.12 113.55 119.84 1cr7 h SER 170 Ca 0.23 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1cr7 h SER 170 Cb 0.30 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1cr7 h SER 170 CO -0.01 -0.12 -0.46 0.35 -0.87 0.00 0.00 176.83 175.72 1cr7 n THR 171 N -5.19 0.34 -2.82 2.95 -2.24 -1.23 -4.94 114.28 101.14 1cr7 n THR 171 Ca -0.09 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1cr7 n THR 171 Cb 0.17 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1cr7 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cr7 n LYS 172 N -2.03 -3.66 -3.66 -0.78 5.02 -0.04 -4.86 118.16 108.15 1cr7 n LYS 172 Ca 0.04 0.69 -0.36 0.00 -2.02 0.00 0.00 58.31 56.67 1cr7 n LYS 172 Cb 0.42 -5.09 -0.08 0.00 -0.02 0.00 0.00 35.03 30.26 1cr7 n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cr7 s THR 173 N -3.02 5.37 -0.39 -0.18 2.01 -1.14 -0.10 115.64 118.19 1cr7 s THR 173 Ca 0.22 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 1cr7 s THR 173 Cb -0.10 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.94 1cr7 s THR 173 CO 0.28 0.40 0.23 -0.22 -0.69 0.00 0.00 174.62 174.62 1cr7 s LEU 174 N 0.58 4.91 -0.17 4.42 2.96 0.03 -1.42 118.68 130.00 1cr7 s LEU 174 Ca 0.10 -1.21 -0.05 0.00 -0.22 0.00 0.00 54.13 52.75 1cr7 s LEU 174 Cb -0.12 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1cr7 s LEU 174 CO 0.01 -0.46 0.00 -0.44 -1.32 0.00 0.00 176.35 174.15 1cr7 s SER 175 N 1.81 5.10 -0.11 3.68 0.01 0.19 -1.92 113.70 122.46 1cr7 s SER 175 Ca 0.02 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1cr7 s SER 175 Cb -0.21 -1.85 -0.00 0.00 0.21 0.00 0.00 66.02 64.17 1cr7 s SER 175 CO 0.05 0.16 -0.20 -0.69 0.41 0.00 0.00 173.24 172.96 1cr7 s VAL 176 N 0.44 2.36 -0.17 3.43 1.01 0.49 -1.22 120.40 126.74 1cr7 s VAL 176 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1cr7 s VAL 176 Cb -0.14 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1cr7 s VAL 176 CO 0.02 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.54 1cr7 s ALA 177 N 0.39 1.93 -0.26 5.51 0.00 -0.02 -1.61 121.76 127.70 1cr7 s ALA 177 Ca -0.15 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 1cr7 s ALA 177 Cb -0.17 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1cr7 s ALA 177 CO 0.07 -0.54 0.03 0.08 0.00 0.00 0.00 175.76 175.40 1cr7 s VAL 178 N 1.45 3.81 -0.38 0.00 1.01 0.16 -0.87 120.40 125.57 1cr7 s VAL 178 Ca 0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1cr7 s VAL 178 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1cr7 s VAL 178 CO -0.10 0.26 0.42 -0.89 0.00 0.00 0.00 175.10 174.79 1cr7 s THR 179 N 1.51 5.10 0.74 3.92 2.01 0.80 -0.75 115.64 128.98 1cr7 s THR 179 Ca 0.04 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 1cr7 s THR 179 Cb -0.16 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1cr7 s THR 179 CO 0.01 -0.27 1.11 0.20 -0.69 0.00 0.00 174.62 174.98 1cr7 s ASN 180 N 1.78 5.11 0.14 3.53 -0.87 -0.28 -2.04 114.94 122.32 1cr7 s ASN 180 Ca 0.13 1.08 -0.27 0.00 -1.57 0.00 0.00 52.86 52.23 1cr7 s ASN 180 Cb -0.17 -1.80 -0.02 0.00 -0.02 0.00 0.00 41.25 39.25 1cr7 s ASN 180 CO 0.13 -1.55 1.59 -0.78 -2.57 0.00 0.00 177.10 173.92 1cr7 h ASP 181 N -0.80 -1.24 0.00 -1.22 3.58 -1.87 -2.41 116.42 112.46 1cr7 h ASP 181 Ca -0.45 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1cr7 h ASP 181 Cb 1.27 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.85 1cr7 h ASP 181 CO 0.64 -0.38 0.00 -0.46 -2.88 0.00 0.00 179.24 176.16 1cr7 n ASN 182 N -5.42 0.00 0.00 2.28 2.04 -1.26 -4.85 115.26 108.05 1cr7 n ASN 182 Ca -0.02 -0.32 0.00 0.00 -0.44 0.00 0.00 54.58 53.80 1cr7 n ASN 182 Cb 0.35 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 1cr7 n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 183 N -0.40 3.09 3.60 4.83 0.00 -0.91 -5.08 105.19 110.33 1cr7 n GLY 183 Ca 0.06 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1cr7 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 184 N 0.52 1.10 -4.58 1.61 10.43 -1.26 -4.62 116.55 119.75 1cr7 n ASP 184 Ca 0.00 1.02 -0.25 0.00 2.57 0.00 0.00 54.79 58.12 1cr7 n ASP 184 Cb 0.00 -1.34 -0.09 0.00 1.84 0.00 0.00 41.12 41.53 1cr7 n ASP 184 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1cr7 s ILE 185 N -1.29 3.18 -0.04 0.53 -4.36 -1.26 -1.12 121.20 116.84 1cr7 s ILE 185 Ca 0.64 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1cr7 s ILE 185 Cb -0.56 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.56 1cr7 s ILE 185 CO 0.56 -0.21 -0.03 -0.89 0.24 0.00 0.00 174.94 174.62 1cr7 s THR 186 N -1.95 0.42 0.26 8.37 2.01 0.07 -4.95 115.64 119.87 1cr7 s THR 186 Ca 0.27 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.35 1cr7 s THR 186 Cb -0.08 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1cr7 s THR 186 CO 0.16 0.21 -0.18 0.42 -0.69 0.00 0.00 174.62 174.55 1cr7 s THR 187 N 1.10 2.24 -0.19 -0.82 -4.23 -1.26 0.37 115.64 112.85 1cr7 s THR 187 Ca -0.08 -2.34 -0.24 0.00 -1.18 0.00 0.00 61.69 57.85 1cr7 s THR 187 Cb -0.14 -2.25 0.06 0.00 1.34 0.00 0.00 72.50 71.51 1cr7 s THR 187 CO -0.01 -0.44 0.64 -0.51 -0.54 0.00 0.00 174.62 173.76 1cr7 s ILE 188 N -2.66 0.00 0.02 2.99 2.07 -0.63 -4.97 121.20 118.02 1cr7 s ILE 188 Ca 0.28 -0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 1cr7 s ILE 188 Cb -0.03 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.65 1cr7 s ILE 188 CO 0.13 -0.01 0.20 0.00 -1.91 0.00 0.00 174.94 173.35 1cr7 s ALA 189 N -0.08 -0.44 -0.18 1.50 0.00 -1.26 -0.38 121.76 120.92 1cr7 s ALA 189 Ca -0.03 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 1cr7 s ALA 189 Cb -0.04 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.35 1cr7 s ALA 189 CO 0.03 -0.29 0.74 -1.14 0.00 0.00 0.00 175.76 175.10 1cr7 s GLN 190 N -1.94 0.89 -0.21 0.00 2.00 -0.81 -4.99 119.66 114.61 1cr7 s GLN 190 Ca -0.10 0.63 -0.24 0.00 -2.00 0.00 0.00 55.36 53.66 1cr7 s GLN 190 Cb -0.04 0.43 -0.01 0.00 0.80 0.00 0.00 33.01 34.19 1cr7 s GLN 190 CO -0.00 -0.19 0.78 0.08 -0.50 0.00 0.00 175.29 175.46 1cr7 s VAL 191 N -0.33 4.89 -0.14 1.34 1.01 -1.26 -0.79 120.40 125.13 1cr7 s VAL 191 Ca -0.04 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1cr7 s VAL 191 Cb -0.03 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1cr7 s VAL 191 CO 0.04 0.00 0.00 -0.69 0.00 0.00 0.00 175.10 174.46 1cr7 s VAL 192 N 2.38 0.59 -0.82 2.92 1.01 0.86 -4.98 120.40 122.37 1cr7 s VAL 192 Ca 0.35 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1cr7 s VAL 192 Cb -0.16 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1cr7 s VAL 192 CO 0.10 0.06 1.33 -0.62 0.00 0.00 0.00 175.10 175.96 1cr7 s ASP 193 N 1.86 6.25 0.29 3.32 3.68 -1.26 -4.70 116.67 126.12 1cr7 s ASP 193 Ca 0.02 -0.73 -0.01 0.00 2.13 0.00 0.00 52.55 53.96 1cr7 s ASP 193 Cb -0.15 -2.56 0.44 0.00 -1.45 0.00 0.00 42.92 39.20 1cr7 s ASP 193 CO -0.07 -1.75 1.89 -0.07 0.13 0.00 0.00 175.17 175.31 1cr7 h LEU 194 N 12.97 0.83 -2.29 -1.34 3.38 -1.97 -1.85 115.31 125.03 1cr7 h LEU 194 Ca -0.14 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1cr7 h LEU 194 Cb 1.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1cr7 h LEU 194 CO 1.32 0.71 0.20 0.50 0.09 0.00 0.00 178.44 181.26 1cr7 h LYS 195 N 0.91 0.00 0.00 1.13 3.64 -1.88 -1.24 116.57 119.14 1cr7 h LYS 195 Ca 0.22 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1cr7 h LYS 195 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1cr7 h LYS 195 CO -0.03 0.00 -2.06 0.00 -2.27 0.00 0.00 179.45 175.09 1cr7 n ALA 196 N -2.24 2.58 0.65 5.00 0.00 -0.72 -4.51 120.51 121.27 1cr7 n ALA 196 Ca 0.01 -0.66 0.10 0.00 0.00 0.00 0.00 53.44 52.89 1cr7 n ALA 196 Cb 0.31 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 1cr7 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cr7 n LYS 197 N -2.34 0.30 -4.07 0.00 4.76 -0.82 -5.01 118.16 110.98 1cr7 n LYS 197 Ca -0.09 -0.07 -0.07 0.00 -2.87 0.00 0.00 58.31 55.21 1cr7 n LYS 197 Cb 0.67 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 1cr7 n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cr7 s LEU 198 N -3.50 2.42 1.06 -0.35 1.43 -0.53 -4.81 118.68 114.41 1cr7 s LEU 198 Ca 0.03 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 52.00 1cr7 s LEU 198 Cb 0.15 0.24 0.22 0.00 0.03 0.00 0.00 46.19 46.84 1cr7 s LEU 198 CO 0.87 -0.59 1.16 -2.16 0.23 0.00 0.00 176.35 175.86 1cr7 s PRO 199 N -3.81 -0.12 0.39 1.29 0.04 -1.26 -4.70 135.00 126.83 1cr7 s PRO 199 Ca 0.06 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.15 1cr7 s PRO 199 Cb 0.07 -1.72 0.82 0.00 0.04 0.00 0.00 34.50 33.71 1cr7 s PRO 199 CO -0.10 -2.99 2.02 0.93 0.04 0.00 0.00 177.00 176.91 1cr7 h GLU 200 N -2.06 0.61 -5.22 4.56 5.08 -1.95 -3.40 114.58 112.20 1cr7 h GLU 200 Ca -0.47 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 1cr7 h GLU 200 Cb 1.29 -0.14 -0.31 0.00 0.50 0.00 0.00 28.75 30.09 1cr7 h GLU 200 CO 0.43 0.41 -0.83 1.03 -1.00 0.00 0.00 179.01 179.05 1cr7 s ARG 201 N -5.56 3.16 0.39 2.33 0.52 -1.26 -0.14 118.95 118.39 1cr7 s ARG 201 Ca -0.09 -0.79 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1cr7 s ARG 201 Cb 0.18 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1cr7 s ARG 201 CO 0.75 0.04 0.18 1.33 0.02 0.00 0.00 175.30 177.62 1cr7 n VAL 202 N 3.97 0.00 -4.28 3.52 0.24 -0.08 -3.72 118.33 117.97 1cr7 n VAL 202 Ca -0.19 -2.40 -0.18 0.00 -2.04 0.00 0.00 64.34 59.52 1cr7 n VAL 202 Cb 0.52 0.96 -0.13 0.00 -1.47 0.00 0.00 33.84 33.71 1cr7 n VAL 202 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1cr7 s LYS 203 N -3.51 0.79 0.16 7.34 1.02 -0.05 -0.71 119.74 124.77 1cr7 s LYS 203 Ca 0.26 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1cr7 s LYS 203 Cb 0.01 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1cr7 s LYS 203 CO 0.18 0.18 0.11 -0.06 -0.92 0.00 0.00 175.35 174.85 1cr7 s PHE 204 N -0.84 3.11 -1.62 3.18 0.40 -1.26 -2.04 117.98 118.90 1cr7 s PHE 204 Ca -0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1cr7 s PHE 204 Cb -0.07 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.95 1cr7 s PHE 204 CO 0.01 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.86 1cr7 n GLY 205 N -0.21 -1.23 3.31 4.36 0.00 -0.39 -1.44 105.19 109.60 1cr7 n GLY 205 Ca -0.09 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1cr7 n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cr7 s PHE 206 N -3.00 1.69 0.08 1.61 0.40 -0.60 -0.22 117.98 117.95 1cr7 s PHE 206 Ca 0.00 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1cr7 s PHE 206 Cb 0.00 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.70 1cr7 s PHE 206 CO 0.00 0.29 0.25 0.45 0.70 0.00 0.00 175.22 176.91 1cr7 s SER 207 N -2.74 -0.00 -0.02 1.36 0.15 -0.84 -1.82 113.70 109.79 1cr7 s SER 207 Ca 0.15 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.03 1cr7 s SER 207 Cb -0.04 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 1cr7 s SER 207 CO 0.06 -0.72 0.73 0.00 1.20 0.00 0.00 173.24 174.51 1cr7 s ALA 208 N -3.51 -1.77 0.29 5.45 0.00 -0.97 -1.24 121.76 120.02 1cr7 s ALA 208 Ca 0.02 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1cr7 s ALA 208 Cb 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1cr7 s ALA 208 CO -0.09 -0.46 0.26 -1.54 0.00 0.00 0.00 175.76 173.92 1cr7 s SER 209 N -1.59 1.13 0.33 0.00 1.04 -1.24 -2.31 113.70 111.07 1cr7 s SER 209 Ca -0.06 -1.61 -0.10 0.00 0.48 0.00 0.00 55.95 54.66 1cr7 s SER 209 Cb -0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1cr7 s SER 209 CO 0.03 -1.02 0.60 -0.83 0.98 0.00 0.00 173.24 172.99 1cr7 s GLY 210 N -3.29 0.82 0.00 7.32 0.00 -0.93 -1.40 107.32 109.84 1cr7 s GLY 210 Ca 0.39 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1cr7 s GLY 210 CO 0.22 -0.63 0.00 -1.14 0.00 0.00 0.00 173.10 171.55 1cr7 n SER 211 N -1.14 0.00 -0.06 1.64 3.41 0.16 -1.52 113.62 116.11 1cr7 n SER 211 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 1cr7 n SER 211 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1cr7 n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1cr7 h LEU 212 N 0.00 0.00 -0.91 1.04 6.46 -1.93 -1.09 115.31 118.88 1cr7 h LEU 212 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cr7 h LEU 212 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1cr7 h LEU 212 CO 0.00 0.60 -0.09 0.61 -0.62 0.00 0.00 178.44 178.95 1cr7 n GLY 213 N 1.66 -0.09 3.05 3.75 0.00 -1.26 -4.81 105.19 107.50 1cr7 n GLY 213 Ca -0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1cr7 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cr7 s GLY 214 N -2.16 1.44 -0.02 -0.02 0.00 -1.26 -1.46 107.32 103.83 1cr7 s GLY 214 Ca 0.33 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.43 1cr7 s GLY 214 CO 0.39 0.56 0.45 0.50 0.00 0.00 0.00 173.10 175.00 1cr7 s ARG 215 N 1.26 0.83 0.02 2.90 0.52 -0.18 0.39 118.95 124.69 1cr7 s ARG 215 Ca -0.02 -0.04 -0.28 0.00 -0.52 0.00 0.00 55.73 54.87 1cr7 s ARG 215 Cb -0.17 0.38 0.10 0.00 0.52 0.00 0.00 34.95 35.78 1cr7 s ARG 215 CO -0.08 -0.25 0.82 1.14 0.02 0.00 0.00 175.30 176.95 1cr7 s GLN 216 N -1.35 0.92 0.20 3.54 -2.07 -1.16 -4.10 119.66 115.64 1cr7 s GLN 216 Ca -0.12 -0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 52.82 1cr7 s GLN 216 Cb -0.03 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 32.23 1cr7 s GLN 216 CO 0.06 -0.40 1.26 0.42 -1.32 0.00 0.00 175.29 175.32 1cr7 s ILE 217 N -3.11 3.33 -0.30 3.63 1.01 0.57 -4.87 121.20 121.46 1cr7 s ILE 217 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1cr7 s ILE 217 Cb -0.01 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.84 1cr7 s ILE 217 CO -0.09 0.18 0.07 -1.00 0.00 0.00 0.00 174.94 174.09 1cr7 s HIS 218 N -0.02 2.26 0.02 3.97 3.76 -1.26 -1.88 115.29 122.15 1cr7 s HIS 218 Ca 0.55 -2.01 0.06 0.00 -0.15 0.00 0.00 55.06 53.51 1cr7 s HIS 218 Cb -0.35 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 1cr7 s HIS 218 CO 0.38 -0.87 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.75 1cr7 s LEU 219 N 1.43 2.77 -0.23 0.89 1.43 0.36 -0.66 118.68 124.67 1cr7 s LEU 219 Ca 0.08 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1cr7 s LEU 219 Cb -0.18 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1cr7 s LEU 219 CO -0.18 0.27 -0.02 -0.63 0.23 0.00 0.00 176.35 176.02 1cr7 s ILE 220 N -0.93 3.53 -0.09 -0.59 -1.09 -0.37 -1.06 121.20 120.59 1cr7 s ILE 220 Ca 0.15 -0.47 0.15 0.00 -2.23 0.00 0.00 60.65 58.24 1cr7 s ILE 220 Cb -0.11 -2.63 -0.22 0.00 -1.58 0.00 0.00 42.46 37.92 1cr7 s ILE 220 CO 0.05 0.38 0.53 0.54 -1.23 0.00 0.00 174.94 175.22 1cr7 n ARG 221 N 4.82 0.64 -3.80 2.79 1.74 0.23 -1.86 116.66 121.22 1cr7 n ARG 221 Ca -0.18 0.20 -0.07 0.00 -0.77 0.00 0.00 57.85 57.04 1cr7 n ARG 221 Cb 0.51 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1cr7 n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1cr7 s SER 222 N -5.87 -0.28 -0.30 0.55 1.04 -1.19 -4.39 113.70 103.25 1cr7 s SER 222 Ca -0.06 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 1cr7 s SER 222 Cb 0.08 0.68 0.19 0.00 0.10 0.00 0.00 66.02 67.07 1cr7 s SER 222 CO 0.83 -1.25 0.82 0.86 0.98 0.00 0.00 173.24 175.48 1cr7 s TRP 223 N -3.82 -1.10 0.07 5.02 -0.00 -0.71 -3.30 118.94 115.10 1cr7 s TRP 223 Ca 0.10 1.06 0.06 0.00 -0.00 0.00 0.00 56.10 57.31 1cr7 s TRP 223 Cb -0.05 0.35 -0.04 0.00 -0.00 0.00 0.00 33.47 33.73 1cr7 s TRP 223 CO 0.04 -0.61 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.77 1cr7 s SER 224 N 2.90 4.54 -0.24 5.86 1.04 -0.75 -1.08 113.70 125.98 1cr7 s SER 224 Ca 0.11 -0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.00 1cr7 s SER 224 Cb -0.11 -0.96 0.07 0.00 0.10 0.00 0.00 66.02 65.12 1cr7 s SER 224 CO -0.18 0.21 0.73 0.12 0.98 0.00 0.00 173.24 175.10 1cr7 s PHE 225 N -1.16 -0.76 -0.11 5.02 5.36 -0.42 -2.09 117.98 123.82 1cr7 s PHE 225 Ca 0.21 1.77 -0.07 0.00 -0.96 0.00 0.00 56.93 57.88 1cr7 s PHE 225 Cb -0.11 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.91 1cr7 s PHE 225 CO 0.13 -0.41 0.26 0.99 -1.46 0.00 0.00 175.22 174.73 1cr7 s THR 226 N 0.12 -0.03 0.10 0.12 2.01 -0.29 -1.26 115.64 116.41 1cr7 s THR 226 Ca -0.02 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1cr7 s THR 226 Cb -0.04 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1cr7 s THR 226 CO 0.02 0.04 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.91 1cr7 s SER 227 N 1.00 1.88 -0.09 3.53 1.04 0.17 -0.25 113.70 120.98 1cr7 s SER 227 Ca -0.07 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1cr7 s SER 227 Cb -0.08 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.02 1cr7 s SER 227 CO -0.07 -0.12 0.19 -0.89 0.98 0.00 0.00 173.24 173.34 1cr7 s THR 228 N -1.83 -0.12 -0.11 2.02 2.01 -0.11 -1.60 115.64 115.89 1cr7 s THR 228 Ca 0.05 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1cr7 s THR 228 Cb -0.07 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1cr7 s THR 228 CO 0.03 0.09 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.65 1cr7 s LEU 229 N 1.52 2.51 -0.08 4.42 2.96 0.13 -1.39 118.68 128.75 1cr7 s LEU 229 Ca -0.06 -0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 53.21 1cr7 s LEU 229 Cb -0.11 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1cr7 s LEU 229 CO -0.07 0.19 0.81 -0.63 -1.32 0.00 0.00 176.35 175.32 1cr7 s ILE 230 N 0.21 4.95 -1.04 6.68 1.09 -1.26 -0.61 121.20 131.22 1cr7 s ILE 230 Ca -0.10 1.65 -0.01 0.00 -1.10 0.00 0.00 60.65 61.09 1cr7 s ILE 230 Cb -0.16 -4.14 0.31 0.00 -1.06 0.00 0.00 42.46 37.42 1cr7 s ILE 230 CO 0.06 0.16 1.85 0.35 -0.10 0.00 0.00 174.94 177.26 1cr7 n THR 231 N 4.09 6.07 -0.29 2.92 -2.24 -1.26 -4.85 114.28 118.72 1cr7 n THR 231 Ca 0.02 -5.91 0.00 0.00 -2.27 0.00 0.00 64.05 55.89 1cr7 n THR 231 Cb 0.50 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57