#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2k s VAL 7 N 0.00 4.63 0.27 1.08 -7.23 -1.26 -5.04 120.40 112.85 1w2k s VAL 7 Ca 0.00 -0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1w2k s VAL 7 Cb 0.00 -3.03 -0.12 0.00 0.56 0.00 0.00 36.38 33.79 1w2k s VAL 7 CO 0.00 0.52 1.60 0.00 -0.31 0.00 0.00 175.10 176.91 1w2k n ALA 8 N 2.99 2.43 -1.33 1.32 0.00 -1.26 -4.89 120.51 119.76 1w2k n ALA 8 Ca -0.18 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 1w2k n ALA 8 Cb 0.53 -2.45 0.10 0.00 0.00 0.00 0.00 19.45 17.63 1w2k n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w2k s ALA 9 N 0.22 2.07 0.26 0.00 0.00 -1.26 -4.90 121.76 118.14 1w2k s ALA 9 Ca 0.67 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1w2k s ALA 9 Cb -0.52 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 1w2k s ALA 9 CO 0.45 -1.97 0.26 1.52 0.00 0.00 0.00 175.76 176.03 1w2k s TYR 10 N -1.96 1.20 -1.37 0.00 1.13 -0.85 -4.66 117.35 110.84 1w2k s TYR 10 Ca 0.75 -1.36 -0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1w2k s TYR 10 Cb -0.30 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.14 1w2k s TYR 10 CO 0.46 -0.81 0.70 0.09 -2.51 0.00 0.00 175.55 173.48 1w2k n ASN 11 N -0.77 -1.62 -4.74 -0.18 3.02 -1.26 -1.77 115.26 107.94 1w2k n ASN 11 Ca 0.03 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 1w2k n ASN 11 Cb 0.64 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 1w2k n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1w2k s LEU 12 N -6.83 4.42 0.05 3.41 1.02 -1.26 -4.40 118.68 115.08 1w2k s LEU 12 Ca 0.12 2.44 0.01 0.00 0.02 0.00 0.00 54.13 56.72 1w2k s LEU 12 Cb -0.06 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.51 1w2k s LEU 12 CO 0.83 -0.53 -0.06 -0.89 0.02 0.00 0.00 176.35 175.72 1w2k s THR 13 N -0.06 0.44 -0.16 5.49 2.01 -0.04 -4.65 115.64 118.68 1w2k s THR 13 Ca 0.56 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 1w2k s THR 13 Cb -0.37 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1w2k s THR 13 CO 0.40 -0.56 0.05 0.26 -0.69 0.00 0.00 174.62 174.08 1w2k s TRP 14 N -2.06 3.25 -0.36 4.92 0.52 -1.26 -0.90 118.94 123.05 1w2k s TRP 14 Ca -0.06 0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.20 1w2k s TRP 14 Cb -0.05 -2.02 0.10 0.00 -1.15 0.00 0.00 33.47 30.35 1w2k s TRP 14 CO -0.02 0.24 0.08 0.15 0.02 0.00 0.00 176.95 177.42 1w2k s LYS 15 N 0.06 1.49 -0.08 4.98 -0.14 0.63 -4.98 119.74 121.69 1w2k s LYS 15 Ca 0.05 -1.92 0.01 0.00 -1.36 0.00 0.00 55.97 52.75 1w2k s LYS 15 Cb -0.12 -3.13 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1w2k s LYS 15 CO 0.01 -0.97 -0.10 0.45 -0.76 0.00 0.00 175.35 173.98 1w2k s SER 16 N 0.80 1.87 -0.07 2.83 0.15 -1.26 -0.26 113.70 117.77 1w2k s SER 16 Ca 0.12 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 1w2k s SER 16 Cb -0.20 -0.80 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1w2k s SER 16 CO -0.08 -0.03 0.05 -0.89 1.20 0.00 0.00 173.24 173.49 1w2k s THR 17 N 1.08 0.03 -1.68 6.45 2.01 -1.05 0.11 115.64 122.59 1w2k s THR 17 Ca -0.07 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1w2k s THR 17 Cb -0.14 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1w2k s THR 17 CO -0.01 0.13 0.21 0.59 -0.69 0.00 0.00 174.62 174.86 1w2k n ASN 18 N 5.25 -5.94 0.00 3.53 3.02 0.20 -1.98 115.26 119.34 1w2k n ASN 18 Ca -0.05 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1w2k n ASN 18 Cb 0.50 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 1w2k n ASN 18 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1w2k n PHE 19 N -4.19 0.00 -2.27 3.10 3.01 -1.26 -1.97 117.46 113.87 1w2k n PHE 19 Ca -0.20 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.90 1w2k n PHE 19 Cb 0.66 -0.16 -0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1w2k n PHE 19 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1w2k s LYS 20 N -0.07 2.94 -0.24 -1.08 2.47 -0.84 -4.74 119.74 118.19 1w2k s LYS 20 Ca 0.00 -0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.08 1w2k s LYS 20 Cb 0.00 -4.75 -0.05 0.00 -1.46 0.00 0.00 37.83 31.57 1w2k s LYS 20 CO 0.00 -2.67 0.20 0.99 0.16 0.00 0.00 175.35 174.03 1w2k s THR 21 N 7.72 5.33 -0.07 3.43 2.01 -1.26 -2.54 115.64 130.26 1w2k s THR 21 Ca 0.56 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.86 1w2k s THR 21 Cb -0.07 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1w2k s THR 21 CO 0.07 0.32 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.52 1w2k s ILE 22 N 1.15 1.47 -0.22 1.82 -1.09 0.65 -1.82 121.20 123.16 1w2k s ILE 22 Ca 0.09 -0.69 -0.13 0.00 -2.23 0.00 0.00 60.65 57.69 1w2k s ILE 22 Cb -0.14 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 1w2k s ILE 22 CO 0.05 0.43 0.28 -0.22 -1.23 0.00 0.00 174.94 174.25 1w2k s LEU 23 N 0.46 4.14 0.24 2.97 2.96 -0.59 -0.27 118.68 128.58 1w2k s LEU 23 Ca -0.14 0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.19 1w2k s LEU 23 Cb -0.16 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1w2k s LEU 23 CO 0.05 -0.00 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.36 1w2k s GLU 24 N 1.17 1.99 0.35 1.98 2.02 -0.08 -1.30 118.70 124.82 1w2k s GLU 24 Ca 0.13 -1.49 -0.18 0.00 0.02 0.00 0.00 54.97 53.45 1w2k s GLU 24 Cb -0.14 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.12 1w2k s GLU 24 CO 0.06 0.37 0.77 1.67 0.02 0.00 0.00 175.26 178.16 1w2k s TRP 25 N -2.17 0.02 0.41 1.61 -2.14 -0.76 -0.86 118.94 115.05 1w2k s TRP 25 Ca 0.28 -0.62 0.07 0.00 2.66 0.00 0.00 56.10 58.49 1w2k s TRP 25 Cb -0.07 0.80 -0.08 0.00 -3.10 0.00 0.00 33.47 31.02 1w2k s TRP 25 CO 0.16 -1.46 0.01 -1.21 -2.66 0.00 0.00 176.95 171.80 1w2k s GLU 26 N -2.81 1.96 0.57 3.25 2.02 -0.73 -4.75 118.70 118.21 1w2k s GLU 26 Ca 0.14 -2.11 -0.03 0.00 0.02 0.00 0.00 54.97 52.99 1w2k s GLU 26 Cb -0.05 -1.60 0.02 0.00 0.10 0.00 0.00 34.13 32.60 1w2k s GLU 26 CO 0.10 -0.07 0.84 -1.25 0.02 0.00 0.00 175.26 174.90 1w2k s PRO 27 N -3.72 2.68 -0.32 0.39 0.04 -1.26 -2.01 135.00 130.80 1w2k s PRO 27 Ca 0.34 -0.39 0.01 0.00 0.04 0.00 0.00 61.00 61.00 1w2k s PRO 27 Cb 0.10 -2.38 0.10 0.00 0.04 0.00 0.00 34.50 32.36 1w2k s PRO 27 CO 0.17 -0.73 0.07 0.15 0.04 0.00 0.00 177.00 176.70 1w2k s LYS 28 N -4.88 1.10 -0.33 4.56 1.02 -1.26 -4.91 119.74 115.03 1w2k s LYS 28 Ca 0.55 -1.42 -0.25 0.00 0.02 0.00 0.00 55.97 54.87 1w2k s LYS 28 Cb -0.10 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1w2k s LYS 28 CO 0.41 -0.94 0.88 0.08 -0.92 0.00 0.00 175.35 174.87 1w2k s VAL 33 N 1.29 4.67 0.39 3.17 1.01 -1.25 -5.23 120.40 124.44 1w2k s VAL 33 Ca 0.09 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1w2k s VAL 33 Cb -0.18 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1w2k s VAL 33 CO -0.16 -0.40 0.11 -0.31 0.00 0.00 0.00 175.10 174.33 1w2k s TYR 34 N 3.26 1.82 -0.15 5.22 2.02 0.26 -1.92 117.35 127.86 1w2k s TYR 34 Ca 0.36 -1.20 -0.10 0.00 -0.37 0.00 0.00 57.07 55.77 1w2k s TYR 34 Cb -0.13 -1.19 0.05 0.00 -0.40 0.00 0.00 41.96 40.28 1w2k s TYR 34 CO 0.15 -0.21 0.37 0.99 -1.57 0.00 0.00 175.55 175.28 1w2k s THR 35 N -3.24 -0.02 0.03 -0.71 2.01 -1.15 -0.82 115.64 111.75 1w2k s THR 35 Ca 0.26 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1w2k s THR 35 Cb 0.04 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1w2k s THR 35 CO 0.14 0.03 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.36 1w2k s VAL 36 N 0.90 3.77 -0.01 3.82 1.01 0.06 -1.46 120.40 128.48 1w2k s VAL 36 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1w2k s VAL 36 Cb -0.06 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1w2k s VAL 36 CO -0.07 0.30 -0.17 -1.10 0.00 0.00 0.00 175.10 174.06 1w2k s GLN 37 N -1.73 1.39 0.02 2.72 -0.21 -0.89 0.23 119.66 121.19 1w2k s GLN 37 Ca 0.20 -0.62 0.04 0.00 0.02 0.00 0.00 55.36 55.01 1w2k s GLN 37 Cb -0.11 -1.34 -0.02 0.00 1.00 0.00 0.00 33.01 32.54 1w2k s GLN 37 CO 0.11 0.37 -0.13 -1.50 -2.12 0.00 0.00 175.29 172.02 1w2k s ILE 38 N -0.41 1.05 0.37 1.08 2.07 -0.80 -1.71 121.20 122.85 1w2k s ILE 38 Ca 0.07 -0.83 -0.12 0.00 -1.41 0.00 0.00 60.65 58.35 1w2k s ILE 38 Cb -0.07 -0.93 0.04 0.00 0.13 0.00 0.00 42.46 41.64 1w2k s ILE 38 CO -0.01 0.09 0.71 -0.94 -1.91 0.00 0.00 174.94 172.88 1w2k s SER 39 N -0.85 0.25 0.22 4.50 1.04 -0.61 -1.92 113.70 116.33 1w2k s SER 39 Ca 0.02 -1.23 0.10 0.00 0.48 0.00 0.00 55.95 55.32 1w2k s SER 39 Cb -0.07 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1w2k s SER 39 CO 0.01 -1.59 -0.11 0.42 0.98 0.00 0.00 173.24 172.95 1w2k s THR 40 N -2.52 3.03 0.53 2.02 -4.23 -1.26 -0.98 115.64 112.23 1w2k s THR 40 Ca 0.19 -1.89 0.43 0.00 -1.18 0.00 0.00 61.69 59.24 1w2k s THR 40 Cb -0.04 -2.54 0.64 0.00 1.34 0.00 0.00 72.50 71.90 1w2k s THR 40 CO 0.14 -0.22 1.42 0.29 -0.54 0.00 0.00 174.62 175.70 1w2k n LYS 41 N -0.27 0.00 -0.43 3.99 5.02 -1.26 -0.72 118.16 124.49 1w2k n LYS 41 Ca -0.09 1.00 0.05 0.00 -2.02 0.00 0.00 58.31 57.25 1w2k n LYS 41 Cb 0.57 -2.35 0.07 0.00 -0.02 0.00 0.00 35.03 33.30 1w2k n LYS 41 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1w2k n SER 42 N -3.67 1.14 -4.77 4.39 3.41 -1.26 -5.09 113.62 107.77 1w2k n SER 42 Ca 0.38 -2.58 -0.23 0.00 -0.26 0.00 0.00 58.87 56.18 1w2k n SER 42 Cb 1.81 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 65.38 1w2k n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1w2k s GLY 43 N -2.00 2.08 0.90 5.00 0.00 0.10 -5.11 107.32 108.28 1w2k s GLY 43 Ca 0.19 -1.91 -0.11 0.00 0.00 0.00 0.00 44.72 42.89 1w2k s GLY 43 CO -0.01 -1.77 1.10 0.99 0.00 0.00 0.00 173.10 173.40 1w2k s ASP 44 N -3.94 3.38 -0.13 1.64 -0.00 -1.26 -4.53 116.67 111.83 1w2k s ASP 44 Ca 0.41 1.70 -0.16 0.00 -0.00 0.00 0.00 52.55 54.50 1w2k s ASP 44 Cb -0.01 -2.34 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 1w2k s ASP 44 CO 0.24 -2.73 0.40 0.26 -0.00 0.00 0.00 175.17 173.34 1w2k s TRP 45 N -2.83 3.50 -0.23 4.23 0.52 -1.26 -4.55 118.94 118.32 1w2k s TRP 45 Ca 0.64 0.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.53 1w2k s TRP 45 Cb -0.19 -2.46 0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1w2k s TRP 45 CO 0.58 0.21 -0.10 0.21 0.02 0.00 0.00 176.95 177.86 1w2k s LYS 46 N 0.52 2.85 0.25 4.98 2.20 -0.81 -4.93 119.74 124.80 1w2k s LYS 46 Ca 0.22 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 1w2k s LYS 46 Cb -0.14 -2.86 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 1w2k s LYS 46 CO 0.08 -0.35 1.30 -1.12 -0.36 0.00 0.00 175.35 174.90 1w2k s SER 47 N 1.30 6.87 0.06 1.43 0.01 -1.26 -1.90 113.70 120.20 1w2k s SER 47 Ca 0.01 2.50 0.01 0.00 1.31 0.00 0.00 55.95 59.78 1w2k s SER 47 Cb -0.16 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1w2k s SER 47 CO -0.07 -0.51 -0.06 -0.54 0.41 0.00 0.00 173.24 172.47 1w2k s LYS 48 N -0.72 0.60 -1.20 12.44 -0.14 0.63 -4.90 119.74 126.45 1w2k s LYS 48 Ca 0.54 -0.98 -0.10 0.00 -1.36 0.00 0.00 55.97 54.07 1w2k s LYS 48 Cb -0.38 -0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 35.64 1w2k s LYS 48 CO 0.43 -0.01 0.76 0.00 -0.76 0.00 0.00 175.35 175.76 1w2k n PHE 50 N -4.06 2.22 -4.17 0.00 3.72 -1.26 -2.97 117.46 110.94 1w2k n PHE 50 Ca -0.18 0.23 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 1w2k n PHE 50 Cb 0.63 -2.56 -0.09 0.00 -0.94 0.00 0.00 39.48 36.53 1w2k n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1w2k n TYR 51 N 4.26 -1.16 -2.59 1.38 4.01 -0.09 -4.92 117.16 118.05 1w2k n TYR 51 Ca 0.19 0.54 -0.30 0.00 -0.16 0.00 0.00 57.90 58.16 1w2k n TYR 51 Cb 0.28 -2.58 -0.02 0.00 -0.31 0.00 0.00 39.34 36.71 1w2k n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1w2k s THR 52 N -4.25 4.74 -1.57 -0.72 -1.32 0.00 -4.66 115.64 107.85 1w2k s THR 52 Ca 0.02 0.73 0.16 0.00 -1.21 0.00 0.00 61.69 61.39 1w2k s THR 52 Cb -0.01 -3.77 0.37 0.00 -1.51 0.00 0.00 72.50 67.58 1w2k s THR 52 CO 0.92 -0.69 1.28 0.35 -2.21 0.00 0.00 174.62 174.27 1w2k n THR 53 N -1.70 0.72 -3.00 5.08 -2.24 -1.26 -0.57 114.28 111.32 1w2k n THR 53 Ca 0.04 -0.86 -0.29 0.00 -2.27 0.00 0.00 64.05 60.66 1w2k n THR 53 Cb 0.54 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 1w2k n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1w2k s ASP 54 N -1.10 6.48 -0.75 3.42 -0.00 -1.26 -4.82 116.67 118.63 1w2k s ASP 54 Ca 0.30 0.98 -0.00 0.00 -0.00 0.00 0.00 52.55 53.83 1w2k s ASP 54 Cb 0.17 -2.26 0.37 0.00 -0.00 0.00 0.00 42.92 41.20 1w2k s ASP 54 CO 0.23 -0.35 1.80 0.35 -0.00 0.00 0.00 175.17 177.20 1w2k n THR 55 N -1.26 3.31 -3.50 -1.27 -2.24 -1.26 -4.82 114.28 103.25 1w2k n THR 55 Ca 0.01 -4.48 -0.09 0.00 -2.27 0.00 0.00 64.05 57.22 1w2k n THR 55 Cb 0.54 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.50 1w2k n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1w2k s GLU 56 N -3.95 0.87 -0.24 -0.78 -1.05 -1.26 -1.84 118.70 110.45 1w2k s GLU 56 Ca 0.51 -0.28 -0.12 0.00 -0.15 0.00 0.00 54.97 54.93 1w2k s GLU 56 Cb 0.43 0.40 0.09 0.00 -0.44 0.00 0.00 34.13 34.60 1w2k s GLU 56 CO -0.36 -0.37 0.57 0.00 0.95 0.00 0.00 175.26 176.05 1w2k s ASP 58 N 1.97 6.94 0.00 0.00 2.15 -1.26 -1.55 116.67 124.92 1w2k s ASP 58 Ca -0.08 1.16 0.11 0.00 0.43 0.00 0.00 52.55 54.17 1w2k s ASP 58 Cb -0.08 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.24 1w2k s ASP 58 CO -0.17 -0.85 1.16 0.18 -0.17 0.00 0.00 175.17 175.32 1w2k n LEU 59 N 6.81 2.68 -0.28 -1.34 4.77 -0.75 -4.76 117.00 124.13 1w2k n LEU 59 Ca 0.12 -1.77 -0.09 0.00 -0.03 0.00 0.00 56.01 54.25 1w2k n LEU 59 Cb 0.47 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1w2k n LEU 59 CO 0.58 0.64 0.54 0.74 -1.33 0.00 0.00 177.39 178.56 1w2k h THR 60 N 2.02 0.04 -0.62 -5.08 2.02 -1.77 -1.23 112.91 108.29 1w2k h THR 60 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1w2k h THR 60 Cb 0.66 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1w2k h THR 60 CO 0.00 0.00 0.43 0.44 0.37 0.00 0.00 175.52 176.76 1w2k h ASP 61 N -0.16 0.18 0.01 4.18 3.32 -1.91 -1.27 116.42 120.77 1w2k h ASP 61 Ca 0.18 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.97 1w2k h ASP 61 Cb 0.53 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.08 1w2k h ASP 61 CO -0.79 0.10 -1.06 -0.33 -1.72 0.00 0.00 179.24 175.44 1w2k h GLU 62 N 0.20 0.70 0.00 3.56 4.39 -1.60 -3.34 114.58 118.49 1w2k h GLU 62 Ca 0.30 -0.77 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 1w2k h GLU 62 Cb 0.90 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1w2k h GLU 62 CO -0.05 1.34 -0.30 -0.84 -1.16 0.00 0.00 179.01 177.99 1w2k h ILE 63 N 0.38 0.52 0.00 3.13 -0.00 -1.03 -3.19 117.51 117.33 1w2k h ILE 63 Ca -0.14 -1.72 0.00 0.00 -0.00 0.00 0.00 64.86 63.00 1w2k h ILE 63 Cb 1.72 2.24 0.00 0.00 -0.00 0.00 0.00 36.82 40.78 1w2k h ILE 63 CO 0.21 0.29 0.00 1.33 -0.00 0.00 0.00 178.15 179.98 1w2k n VAL 64 N -3.18 0.20 0.50 0.16 0.24 -0.54 -2.82 118.33 112.89 1w2k n VAL 64 Ca 0.03 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.49 1w2k n VAL 64 Cb 0.65 -0.64 0.46 0.00 -1.47 0.00 0.00 33.84 32.84 1w2k n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1w2k n LYS 65 N -1.28 0.18 -2.72 7.34 5.02 -1.20 -4.43 118.16 121.07 1w2k n LYS 65 Ca 0.12 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1w2k n LYS 65 Cb 0.20 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1w2k n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1w2k s ASP 66 N -4.11 -0.23 0.47 4.39 -1.08 -1.13 -5.05 116.67 109.94 1w2k s ASP 66 Ca 0.07 -0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.09 1w2k s ASP 66 Cb 0.11 0.29 1.09 0.00 -1.46 0.00 0.00 42.92 42.95 1w2k s ASP 66 CO 0.44 -0.02 2.05 -0.37 0.52 0.00 0.00 175.17 177.79 1w2k h VAL 67 N 3.06 1.08 0.00 1.11 -1.51 -1.76 -2.29 116.25 115.94 1w2k h VAL 67 Ca -0.03 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1w2k h VAL 67 Cb 1.22 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1w2k h VAL 67 CO -0.10 0.11 -0.02 0.11 -1.23 0.00 0.00 177.57 176.44 1w2k h LYS 68 N 0.03 0.00 -7.31 5.19 1.79 -1.96 -2.41 116.57 111.90 1w2k h LYS 68 Ca 0.01 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.98 1w2k h LYS 68 Cb 0.19 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 30.99 1w2k h LYS 68 CO 0.01 0.02 0.26 -0.65 -1.08 0.00 0.00 179.45 178.02 1w2k s GLN 69 N -3.81 1.53 -0.20 3.15 -1.52 -0.86 -4.90 119.66 113.06 1w2k s GLN 69 Ca -0.00 1.09 -0.03 0.00 -1.95 0.00 0.00 55.36 54.47 1w2k s GLN 69 Cb 0.10 -1.82 -0.01 0.00 -0.22 0.00 0.00 33.01 31.06 1w2k s GLN 69 CO 0.52 -2.13 -0.05 0.99 -0.25 0.00 0.00 175.29 174.37 1w2k s THR 70 N -2.85 3.46 0.20 -0.19 2.01 -1.26 -3.88 115.64 113.13 1w2k s THR 70 Ca 0.63 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1w2k s THR 70 Cb -0.19 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1w2k s THR 70 CO 0.57 0.45 0.09 -0.31 -0.69 0.00 0.00 174.62 174.73 1w2k s TYR 71 N 1.10 2.99 -0.00 4.92 1.51 0.10 -4.03 117.35 123.94 1w2k s TYR 71 Ca 0.01 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1w2k s TYR 71 Cb -0.15 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1w2k s TYR 71 CO -0.00 0.53 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.70 1w2k s LEU 72 N -3.33 2.04 0.04 -1.29 1.98 -0.15 -0.88 118.68 117.08 1w2k s LEU 72 Ca 0.30 -0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.36 1w2k s LEU 72 Cb -0.09 -0.49 -0.02 0.00 0.66 0.00 0.00 46.19 46.25 1w2k s LEU 72 CO 0.22 0.10 -0.08 0.00 -1.89 0.00 0.00 176.35 174.69 1w2k s ALA 73 N -0.32 0.65 0.07 5.97 0.00 -1.26 -1.57 121.76 125.30 1w2k s ALA 73 Ca 0.03 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1w2k s ALA 73 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1w2k s ALA 73 CO -0.00 0.02 -0.12 -0.98 0.00 0.00 0.00 175.76 174.68 1w2k s ARG 74 N -1.42 0.77 -0.26 0.00 1.70 -0.70 0.10 118.95 119.15 1w2k s ARG 74 Ca -0.07 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.24 1w2k s ARG 74 Cb -0.09 -0.68 0.05 0.00 -0.57 0.00 0.00 34.95 33.66 1w2k s ARG 74 CO 0.01 0.14 -0.09 0.08 -1.08 0.00 0.00 175.30 174.36 1w2k s VAL 75 N -1.51 2.43 0.22 4.99 1.01 -0.15 -2.10 120.40 125.29 1w2k s VAL 75 Ca -0.02 -1.43 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 1w2k s VAL 75 Cb -0.09 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 1w2k s VAL 75 CO 0.02 0.04 0.86 -0.36 0.00 0.00 0.00 175.10 175.65 1w2k s PHE 76 N 1.18 3.87 -0.09 5.22 0.08 -0.53 -2.61 117.98 125.10 1w2k s PHE 76 Ca -0.06 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.73 1w2k s PHE 76 Cb -0.19 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 1w2k s PHE 76 CO -0.05 0.43 -0.08 -1.12 -0.10 0.00 0.00 175.22 174.30 1w2k s SER 77 N -1.29 4.50 0.05 1.36 0.01 0.38 -2.93 113.70 115.77 1w2k s SER 77 Ca 0.41 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.59 1w2k s SER 77 Cb -0.23 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 1w2k s SER 77 CO 0.27 0.29 -0.12 -0.31 0.41 0.00 0.00 173.24 173.78 1w2k s TYR 78 N -0.37 1.05 0.52 2.43 1.51 -0.81 -3.91 117.35 117.77 1w2k s TYR 78 Ca 0.05 -0.41 0.32 0.00 -1.01 0.00 0.00 57.07 56.02 1w2k s TYR 78 Cb -0.12 -0.61 1.77 0.00 -0.11 0.00 0.00 41.96 42.88 1w2k s TYR 78 CO 0.02 0.02 2.20 -1.00 -1.11 0.00 0.00 175.55 175.67 1w2k h PRO 79 N 4.68 0.00 -4.46 -1.71 0.13 -1.97 -3.35 132.00 125.32 1w2k h PRO 79 Ca -0.38 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 1w2k h PRO 79 Cb 1.19 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.40 1w2k h PRO 79 CO 0.42 0.05 -0.42 0.39 -0.23 0.00 0.00 178.00 178.21 1w2k n GLU 91 N -3.60 0.00 -0.40 0.86 1.02 -1.26 -4.79 120.64 112.47 1w2k n GLU 91 Ca -0.02 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1w2k n GLU 91 Cb 0.15 -0.74 0.26 0.00 -0.02 0.00 0.00 31.44 31.08 1w2k n GLU 91 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1w2k n PRO 92 N 0.77 -3.40 -3.22 3.49 -0.02 -1.26 -4.99 135.00 126.36 1w2k n PRO 92 Ca 0.13 -0.99 -0.39 0.00 -2.02 0.00 0.00 63.50 60.23 1w2k n PRO 92 Cb 0.20 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1w2k n PRO 92 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1w2k s LEU 93 N -6.18 4.30 0.00 2.45 1.02 -1.25 -4.94 118.68 114.07 1w2k s LEU 93 Ca 0.64 0.96 0.04 0.00 0.02 0.00 0.00 54.13 55.78 1w2k s LEU 93 Cb -0.17 -2.83 -0.01 0.00 0.02 0.00 0.00 46.19 43.19 1w2k s LEU 93 CO 0.59 -0.03 0.33 0.00 0.02 0.00 0.00 176.35 177.26 1w2k n TYR 94 N 3.64 -0.97 -3.70 0.29 0.18 -1.26 0.14 117.16 115.49 1w2k n TYR 94 Ca -0.05 -2.41 -0.15 0.00 1.88 0.00 0.00 57.90 57.17 1w2k n TYR 94 Cb 0.51 0.36 -0.08 0.00 -0.38 0.00 0.00 39.34 39.75 1w2k n TYR 94 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1w2k s GLU 95 N -3.05 0.77 -0.05 -3.48 2.56 -1.07 -4.75 118.70 109.62 1w2k s GLU 95 Ca 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 54.97 55.20 1w2k s GLU 95 Cb 0.01 0.35 -0.04 0.00 2.00 0.00 0.00 34.13 36.45 1w2k s GLU 95 CO 0.23 -0.22 0.07 -0.80 -0.56 0.00 0.00 175.26 173.98 1w2k s ASN 96 N -1.29 5.68 0.70 -1.70 0.01 -1.26 -0.98 114.94 116.11 1w2k s ASN 96 Ca -0.13 0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1w2k s ASN 96 Cb -0.04 -1.67 0.07 0.00 0.41 0.00 0.00 41.25 40.02 1w2k s ASN 96 CO 0.06 0.33 1.00 -0.94 -1.51 0.00 0.00 177.10 176.04 1w2k s SER 97 N -1.32 4.74 0.82 -1.22 1.04 0.29 -4.86 113.70 113.18 1w2k s SER 97 Ca 0.18 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 1w2k s SER 97 Cb -0.12 -0.92 0.08 0.00 0.10 0.00 0.00 66.02 65.16 1w2k s SER 97 CO 0.08 -1.62 1.09 -2.84 0.98 0.00 0.00 173.24 170.93 1w2k s PRO 98 N -5.20 1.87 0.67 4.02 0.02 -1.26 -4.57 135.00 130.55 1w2k s PRO 98 Ca 0.61 1.00 -0.15 0.00 0.02 0.00 0.00 61.00 62.48 1w2k s PRO 98 Cb -0.10 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.56 1w2k s PRO 98 CO 0.44 -1.86 1.13 -1.21 -0.33 0.00 0.00 177.00 175.17 1w2k s GLU 99 N -4.93 2.69 -0.24 5.54 2.02 -1.26 -4.62 118.70 117.89 1w2k s GLU 99 Ca 0.62 1.46 -0.03 0.00 0.02 0.00 0.00 54.97 57.05 1w2k s GLU 99 Cb -0.17 -1.93 0.13 0.00 0.10 0.00 0.00 34.13 32.25 1w2k s GLU 99 CO 0.56 -1.35 0.33 0.12 0.02 0.00 0.00 175.26 174.94 1w2k s PHE 100 N -2.26 -0.67 -0.47 1.61 2.19 -0.06 -4.95 117.98 113.37 1w2k s PHE 100 Ca 0.68 0.56 -0.14 0.00 0.33 0.00 0.00 56.93 58.36 1w2k s PHE 100 Cb -0.22 -0.13 0.08 0.00 -1.31 0.00 0.00 43.02 41.44 1w2k s PHE 100 CO 0.42 -0.72 0.38 0.99 1.83 0.00 0.00 175.22 178.12 1w2k s THR 101 N 2.47 4.99 0.05 0.12 2.01 -1.26 -0.72 115.64 123.31 1w2k s THR 101 Ca 0.11 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 60.77 1w2k s THR 101 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1w2k s THR 101 CO -0.17 -0.62 1.19 -0.65 -0.69 0.00 0.00 174.62 173.68 1w2k h PRO 102 N 8.70 -0.06 -0.78 4.92 0.11 -1.67 -1.74 132.00 141.48 1w2k h PRO 102 Ca -0.27 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.07 1w2k h PRO 102 Cb 1.10 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1w2k h PRO 102 CO 0.88 -0.04 0.90 -0.92 -0.21 0.00 0.00 178.00 178.61 1w2k h TYR 103 N -0.06 0.00 -0.01 0.65 5.03 -1.74 0.25 116.97 121.09 1w2k h TYR 103 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1w2k h TYR 103 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1w2k h TYR 103 CO -0.83 0.00 -0.32 1.28 -1.32 0.00 0.00 178.16 176.97 1w2k n LEU 104 N -3.44 1.02 0.00 2.82 4.77 -0.87 -4.77 117.00 116.53 1w2k n LEU 104 Ca 0.17 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1w2k n LEU 104 Cb 1.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 1w2k n LEU 104 CO 0.25 0.21 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.53 1w2k n GLU 105 N -0.58 2.61 -1.53 3.23 1.02 0.32 -4.71 120.64 121.00 1w2k n GLU 105 Ca 0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 1w2k n GLU 105 Cb 0.21 -0.88 -0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1w2k n GLU 105 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1w2k n THR 106 N -1.72 2.03 -3.03 2.62 5.66 0.60 -4.90 114.28 115.54 1w2k n THR 106 Ca 0.00 -0.50 -0.37 0.00 -3.05 0.00 0.00 64.05 60.13 1w2k n THR 106 Cb 0.38 -0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 68.32 1w2k n THR 106 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1w2k s ASN 107 N -0.79 7.18 -0.30 1.09 0.01 0.12 -4.84 114.94 117.41 1w2k s ASN 107 Ca 0.62 1.53 -0.25 0.00 -0.71 0.00 0.00 52.86 54.06 1w2k s ASN 107 Cb -0.65 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.55 1w2k s ASN 107 CO 0.58 0.07 0.84 -0.76 -1.51 0.00 0.00 177.10 176.32 1w2k s LEU 108 N -1.76 4.06 0.00 0.60 1.43 -1.26 -0.63 118.68 121.12 1w2k s LEU 108 Ca 0.42 0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1w2k s LEU 108 Cb -0.19 -3.17 0.11 0.00 0.03 0.00 0.00 46.19 42.98 1w2k s LEU 108 CO 0.23 -0.65 0.25 0.61 0.23 0.00 0.00 176.35 177.01 1w2k n GLY 109 N 4.10 -2.36 3.62 -3.19 0.00 -1.26 -4.30 105.19 101.79 1w2k n GLY 109 Ca 0.05 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1w2k n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1w2k s GLN 110 N -2.80 3.97 1.24 1.61 0.74 -1.26 -4.36 119.66 118.80 1w2k s GLN 110 Ca 0.19 0.68 -0.18 0.00 0.05 0.00 0.00 55.36 56.10 1w2k s GLN 110 Cb -0.03 -3.74 0.27 0.00 1.10 0.00 0.00 33.01 30.61 1w2k s GLN 110 CO 0.16 -0.75 0.63 -0.35 -0.55 0.00 0.00 175.29 174.43 1w2k n PRO 111 N 6.39 -3.13 -3.74 1.67 -0.04 -1.26 -4.95 135.00 129.94 1w2k n PRO 111 Ca 0.06 -0.91 -0.13 0.00 -0.04 0.00 0.00 63.50 62.47 1w2k n PRO 111 Cb 0.48 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 1w2k n PRO 111 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1w2k s THR 112 N -2.21 -0.00 -0.52 0.52 2.01 -1.26 -4.43 115.64 109.76 1w2k s THR 112 Ca 0.60 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.36 1w2k s THR 112 Cb -0.15 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 71.87 1w2k s THR 112 CO 0.57 0.00 0.88 -0.63 -0.69 0.00 0.00 174.62 174.75 1w2k s ILE 113 N 0.24 4.50 0.31 1.82 1.01 -1.26 -1.66 121.20 126.16 1w2k s ILE 113 Ca -0.00 0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.99 1w2k s ILE 113 Cb -0.03 -4.46 0.08 0.00 0.01 0.00 0.00 42.46 38.06 1w2k s ILE 113 CO 0.00 -0.97 1.76 -0.61 0.00 0.00 0.00 174.94 175.11 1w2k h GLN 114 N 9.19 0.32 0.00 2.79 4.15 -1.64 -3.47 115.11 126.45 1w2k h GLN 114 Ca -0.26 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1w2k h GLN 114 Cb 1.08 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1w2k h GLN 114 CO 1.04 0.59 0.00 -1.13 -1.93 0.00 0.00 178.83 177.40 1w2k n SER 115 N -4.11 0.00 -3.41 -0.69 3.41 -1.22 -5.01 113.62 102.58 1w2k n SER 115 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.57 1w2k n SER 115 Cb 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1w2k n SER 115 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1w2k s PHE 116 N -2.00 -1.17 -0.07 7.33 -0.71 -1.25 0.53 117.98 120.64 1w2k s PHE 116 Ca 0.00 1.56 -0.03 0.00 -1.04 0.00 0.00 56.93 57.42 1w2k s PHE 116 Cb 0.00 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1w2k s PHE 116 CO 0.00 -0.71 0.06 -2.00 -1.34 0.00 0.00 175.22 171.23 1w2k s GLU 117 N 2.73 3.11 -0.09 1.99 2.12 0.51 -4.88 118.70 124.20 1w2k s GLU 117 Ca 0.09 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1w2k s GLU 117 Cb -0.14 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 1w2k s GLU 117 CO -0.17 0.71 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.94 1w2k s GLN 118 N -1.16 2.93 -0.57 4.30 0.74 -1.26 0.22 119.66 124.86 1w2k s GLN 118 Ca 0.16 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.85 1w2k s GLN 118 Cb -0.12 -2.42 0.16 0.00 1.10 0.00 0.00 33.01 31.73 1w2k s GLN 118 CO 0.06 0.35 0.40 0.08 -0.55 0.00 0.00 175.29 175.63 1w2k s VAL 119 N -0.04 2.00 0.00 1.34 1.01 0.27 -4.99 120.40 119.98 1w2k s VAL 119 Ca -0.05 -3.52 0.00 0.00 0.00 0.00 0.00 61.98 58.42 1w2k s VAL 119 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1w2k s VAL 119 CO 0.04 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.73 1w2k n GLY 120 N 2.54 1.80 0.09 4.51 0.00 -1.26 -3.29 105.19 109.58 1w2k n GLY 120 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1w2k n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2k h THR 121 N 0.00 1.02 -2.81 2.61 1.03 -1.96 -3.46 112.91 109.33 1w2k h THR 121 Ca 0.00 -2.63 -0.54 0.00 -0.01 0.00 0.00 66.41 63.23 1w2k h THR 121 Cb 0.00 2.45 -0.02 0.00 -1.07 0.00 0.00 68.15 69.51 1w2k h THR 121 CO 0.00 0.58 -0.36 -0.54 -0.01 0.00 0.00 175.52 175.19 1w2k s LYS 122 N -2.79 3.51 -0.04 0.00 1.02 -1.21 0.08 119.74 120.31 1w2k s LYS 122 Ca -0.01 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1w2k s LYS 122 Cb 0.09 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1w2k s LYS 122 CO 0.80 0.42 -0.08 0.08 -0.92 0.00 0.00 175.35 175.65 1w2k s VAL 123 N -1.84 0.77 -0.43 3.17 1.01 -0.21 -0.56 120.40 122.31 1w2k s VAL 123 Ca 0.38 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1w2k s VAL 123 Cb -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1w2k s VAL 123 CO 0.29 0.26 0.34 0.21 0.00 0.00 0.00 175.10 176.20 1w2k s ASN 124 N 0.49 6.13 -0.28 3.32 3.84 0.60 -2.35 114.94 126.68 1w2k s ASN 124 Ca -0.08 -0.96 -0.10 0.00 0.21 0.00 0.00 52.86 51.92 1w2k s ASN 124 Cb -0.12 -2.18 -0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1w2k s ASN 124 CO 0.01 -0.52 0.17 -0.69 -2.79 0.00 0.00 177.10 173.28 1w2k s VAL 125 N 1.75 5.10 -0.01 -5.21 1.01 0.18 -0.36 120.40 122.86 1w2k s VAL 125 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1w2k s VAL 125 Cb -0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1w2k s VAL 125 CO 0.10 0.24 0.10 -0.89 0.00 0.00 0.00 175.10 174.64 1w2k s THR 126 N 1.73 4.85 -0.12 3.92 2.01 0.19 0.55 115.64 128.76 1w2k s THR 126 Ca 0.07 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1w2k s THR 126 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1w2k s THR 126 CO 0.09 0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 1w2k s VAL 127 N -1.21 3.11 0.24 3.82 1.01 -0.15 -1.74 120.40 125.48 1w2k s VAL 127 Ca 0.23 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1w2k s VAL 127 Cb -0.12 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.86 1w2k s VAL 127 CO 0.14 0.53 1.45 -0.70 0.00 0.00 0.00 175.10 176.52 1w2k s GLU 128 N 0.21 4.26 -1.29 2.72 2.12 -0.67 -4.77 118.70 121.28 1w2k s GLU 128 Ca -0.08 2.30 -0.16 0.00 0.36 0.00 0.00 54.97 57.40 1w2k s GLU 128 Cb -0.15 -3.11 0.10 0.00 0.26 0.00 0.00 34.13 31.23 1w2k s GLU 128 CO 0.05 -0.43 1.73 -3.47 -0.54 0.00 0.00 175.26 172.60 1w2k n ASP 129 N 2.45 4.89 -4.43 -1.70 -0.08 -1.26 -4.75 116.55 111.68 1w2k n ASP 129 Ca 0.07 -2.94 -0.38 0.00 -1.51 0.00 0.00 54.79 50.04 1w2k n ASP 129 Cb 0.40 -1.67 0.04 0.00 2.34 0.00 0.00 41.12 42.24 1w2k n ASP 129 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1w2k n GLU 130 N 6.97 0.39 -3.18 -0.67 2.13 -1.26 -4.59 120.64 120.43 1w2k n GLU 130 Ca 0.45 0.16 -0.28 0.00 0.66 0.00 0.00 57.16 58.15 1w2k n GLU 130 Cb 0.43 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 1w2k n GLU 130 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1w2k s ARG 131 N -2.18 3.65 0.29 5.31 1.81 -1.26 -1.06 118.95 125.50 1w2k s ARG 131 Ca 0.66 0.09 0.11 0.00 -1.72 0.00 0.00 55.73 54.87 1w2k s ARG 131 Cb -0.41 -2.57 -0.05 0.00 -0.45 0.00 0.00 34.95 31.46 1w2k s ARG 131 CO 0.57 0.12 -0.10 0.95 -0.68 0.00 0.00 175.30 176.17 1w2k s THR 132 N -2.21 2.81 -0.78 0.02 -4.23 0.21 -4.79 115.64 106.67 1w2k s THR 132 Ca 0.45 -2.17 0.22 0.00 -1.18 0.00 0.00 61.69 59.01 1w2k s THR 132 Cb -0.10 -2.58 0.21 0.00 1.34 0.00 0.00 72.50 71.37 1w2k s THR 132 CO 0.32 -0.35 1.67 0.18 -0.54 0.00 0.00 174.62 175.90 1w2k n LEU 133 N -0.77 0.36 -4.65 4.79 7.99 -0.83 -4.02 117.00 119.87 1w2k n LEU 133 Ca -0.05 0.57 -0.42 0.00 -0.01 0.00 0.00 56.01 56.09 1w2k n LEU 133 Cb 0.60 -0.50 -0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1w2k n LEU 133 CO 0.40 -0.31 1.41 -0.69 -1.51 0.00 0.00 177.39 176.69 1w2k s VAL 134 N -3.13 3.54 0.17 4.08 1.01 -1.26 -4.93 120.40 119.89 1w2k s VAL 134 Ca 0.08 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 1w2k s VAL 134 Cb 0.11 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1w2k s VAL 134 CO 0.40 -0.11 0.38 -0.13 0.00 0.00 0.00 175.10 175.64 1w2k s ARG 135 N 4.33 3.55 -0.25 2.72 0.52 -1.26 -1.11 118.95 127.44 1w2k s ARG 135 Ca 0.75 -0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 55.56 1w2k s ARG 135 Cb -0.32 -2.85 0.08 0.00 0.52 0.00 0.00 34.95 32.37 1w2k s ARG 135 CO 0.30 0.43 0.61 1.03 0.02 0.00 0.00 175.30 177.70 1w2k s ARG 136 N -3.05 0.62 7.95 3.54 1.81 -0.87 -4.92 118.95 124.03 1w2k s ARG 136 Ca 0.39 1.11 0.00 0.00 -1.72 0.00 0.00 55.73 55.51 1w2k s ARG 136 Cb -0.12 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 1w2k s ARG 136 CO 0.28 -0.15 0.00 -1.71 -0.68 0.00 0.00 175.30 173.03 1w2k n ASN 137 N 4.33 0.00 -2.30 0.23 2.85 -1.26 -1.89 115.26 117.21 1w2k n ASN 137 Ca -0.21 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.03 1w2k n ASN 137 Cb 0.58 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.61 1w2k n ASN 137 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1w2k n ASN 138 N 8.31 4.42 -3.47 1.20 5.15 -1.26 -5.05 115.26 124.55 1w2k n ASN 138 Ca 0.00 -3.57 -0.14 0.00 -0.60 0.00 0.00 54.58 50.27 1w2k n ASN 138 Cb 0.00 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 38.80 1w2k n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1w2k s THR 139 N -4.86 0.00 -0.17 -0.44 -1.32 -0.79 -5.14 115.64 102.92 1w2k s THR 139 Ca 0.47 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.69 1w2k s THR 139 Cb 0.40 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1w2k s THR 139 CO -0.06 0.00 0.87 -0.36 -2.21 0.00 0.00 174.62 172.86 1w2k s PHE 140 N -2.52 3.43 0.60 9.09 0.40 -1.26 -2.04 117.98 125.68 1w2k s PHE 140 Ca -0.04 1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 57.44 1w2k s PHE 140 Cb -0.01 -3.06 -0.03 0.00 0.51 0.00 0.00 43.02 40.44 1w2k s PHE 140 CO -0.03 -0.26 1.13 -0.51 0.70 0.00 0.00 175.22 176.26 1w2k s LEU 141 N 2.22 3.57 0.49 -0.37 1.43 -0.27 -4.65 118.68 121.11 1w2k s LEU 141 Ca 0.40 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1w2k s LEU 141 Cb -0.17 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.50 1w2k s LEU 141 CO 0.13 -1.47 0.71 -0.94 0.23 0.00 0.00 176.35 175.00 1w2k s SER 142 N -2.10 5.57 0.45 2.29 1.04 -1.26 0.67 113.70 120.35 1w2k s SER 142 Ca 0.71 0.12 0.20 0.00 0.48 0.00 0.00 55.95 57.46 1w2k s SER 142 Cb -0.23 -1.20 1.17 0.00 0.10 0.00 0.00 66.02 65.86 1w2k s SER 142 CO 0.34 -0.90 1.88 0.25 0.98 0.00 0.00 173.24 175.79 1w2k h LEU 143 N 0.26 0.31 0.18 2.42 5.85 -1.34 -1.84 115.31 121.14 1w2k h LEU 143 Ca -0.44 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1w2k h LEU 143 Cb 1.27 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1w2k h LEU 143 CO 0.54 0.13 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.60 1w2k h ARG 144 N 0.31 -0.23 -1.10 1.25 9.65 -1.92 -2.91 114.38 119.43 1w2k h ARG 144 Ca 0.44 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.65 1w2k h ARG 144 Cb 1.22 0.05 -0.12 0.00 -1.39 0.00 0.00 29.97 29.74 1w2k h ARG 144 CO -0.13 0.18 0.69 -0.44 2.80 0.00 0.00 179.97 183.07 1w2k h ASP 145 N -0.76 0.43 0.35 -3.80 3.45 -1.71 0.67 116.42 115.05 1w2k h ASP 145 Ca -0.02 0.12 -0.32 0.00 0.43 0.00 0.00 57.03 57.24 1w2k h ASP 145 Cb 0.51 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 1w2k h ASP 145 CO 0.04 -0.03 -1.71 0.58 -1.57 0.00 0.00 179.24 176.55 1w2k h VAL 146 N 0.31 0.93 0.00 -1.35 2.07 -1.59 -3.41 116.25 113.21 1w2k h VAL 146 Ca 0.69 -2.63 -0.18 0.00 0.82 0.00 0.00 66.70 65.40 1w2k h VAL 146 Cb 1.80 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 34.16 1w2k h VAL 146 CO -0.41 0.78 -2.03 0.49 0.02 0.00 0.00 177.57 176.42 1w2k n PHE 147 N -3.39 0.00 -0.86 1.57 3.72 -0.93 -5.06 117.46 112.52 1w2k n PHE 147 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1w2k n PHE 147 Cb 1.05 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1w2k n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1w2k n GLY 148 N 1.73 1.49 0.04 1.37 0.00 0.23 -0.62 105.19 109.43 1w2k n GLY 148 Ca -0.17 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1w2k n GLY 148 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1w2k n LYS 149 N 13.36 0.01 0.15 1.61 2.85 -1.26 0.14 118.16 135.03 1w2k n LYS 149 Ca 0.00 0.24 0.03 0.00 -1.05 0.00 0.00 58.31 57.53 1w2k n LYS 149 Cb 0.00 -1.95 0.16 0.00 -0.65 0.00 0.00 35.03 32.59 1w2k n LYS 149 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1w2k h ASP 150 N 0.00 0.00 -3.36 -5.58 3.45 -1.26 -3.44 116.42 106.22 1w2k h ASP 150 Ca 0.00 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.84 1w2k h ASP 150 Cb 0.81 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.42 1w2k h ASP 150 CO 0.00 0.50 -0.56 -0.22 -1.57 0.00 0.00 179.24 177.40 1w2k s LEU 151 N -6.80 3.84 0.16 1.55 2.96 0.12 -3.97 118.68 116.54 1w2k s LEU 151 Ca 0.02 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1w2k s LEU 151 Cb 0.10 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1w2k s LEU 151 CO 0.73 0.14 -0.14 0.27 -1.32 0.00 0.00 176.35 176.02 1w2k s ILE 152 N 0.57 1.51 -0.03 6.68 -4.36 0.25 -4.67 121.20 121.15 1w2k s ILE 152 Ca 0.04 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1w2k s ILE 152 Cb -0.13 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.78 1w2k s ILE 152 CO 0.01 -0.50 -0.15 -0.31 0.24 0.00 0.00 174.94 174.24 1w2k s TYR 153 N -2.52 2.68 -0.18 1.37 1.51 -0.74 -0.66 117.35 118.81 1w2k s TYR 153 Ca 0.15 -0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 55.99 1w2k s TYR 153 Cb -0.03 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1w2k s TYR 153 CO 0.04 0.20 -0.01 0.99 -1.11 0.00 0.00 175.55 175.66 1w2k s THR 154 N -0.77 3.99 -0.11 -0.71 2.01 -0.59 -1.72 115.64 117.73 1w2k s THR 154 Ca 0.12 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1w2k s THR 154 Cb -0.11 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1w2k s THR 154 CO 0.01 0.46 0.15 -0.22 -0.69 0.00 0.00 174.62 174.34 1w2k s LEU 155 N 0.63 4.39 -0.36 4.42 2.96 0.59 -1.29 118.68 130.03 1w2k s LEU 155 Ca -0.01 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1w2k s LEU 155 Cb -0.14 -2.09 0.11 0.00 0.50 0.00 0.00 46.19 44.57 1w2k s LEU 155 CO 0.02 0.41 0.14 -0.31 -1.32 0.00 0.00 176.35 175.29 1w2k s TYR 156 N -1.03 2.09 0.38 5.38 2.02 -0.62 -2.10 117.35 123.47 1w2k s TYR 156 Ca 0.15 -2.16 0.08 0.00 -0.37 0.00 0.00 57.07 54.77 1w2k s TYR 156 Cb -0.12 -1.95 -0.06 0.00 -0.40 0.00 0.00 41.96 39.43 1w2k s TYR 156 CO 0.04 -0.85 0.09 1.52 -1.57 0.00 0.00 175.55 174.78 1w2k s TYR 157 N 1.05 2.58 0.18 2.71 -0.85 -0.51 -2.56 117.35 119.95 1w2k s TYR 157 Ca 0.13 -0.52 -0.24 0.00 -0.52 0.00 0.00 57.07 55.92 1w2k s TYR 157 Cb -0.20 -1.73 0.05 0.00 0.38 0.00 0.00 41.96 40.47 1w2k s TYR 157 CO -0.14 0.34 0.90 1.67 -1.52 0.00 0.00 175.55 176.81 1w2k s TRP 158 N -2.56 -0.15 0.00 -3.49 -2.14 -0.96 -1.64 118.94 108.00 1w2k s TRP 158 Ca 0.38 -0.20 0.00 0.00 2.66 0.00 0.00 56.10 58.94 1w2k s TRP 158 Cb 0.02 0.66 0.00 0.00 -3.10 0.00 0.00 33.47 31.05 1w2k s TRP 158 CO 0.21 -0.93 0.00 1.63 -2.66 0.00 0.00 176.95 175.20 1w2k n LYS 159 N -0.47 0.00 -0.81 3.25 5.02 -1.26 -1.30 118.16 122.60 1w2k n LYS 159 Ca -0.06 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1w2k n LYS 159 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.60 1w2k n LYS 159 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1w2k n SER 162 N 0.00 -4.35 -0.04 4.39 2.88 -1.26 -4.93 113.62 110.31 1w2k n SER 162 Ca 0.00 0.92 -0.02 0.00 -1.33 0.00 0.00 58.87 58.44 1w2k n SER 162 Cb 0.00 -2.33 -0.07 0.00 -0.75 0.00 0.00 64.21 61.06 1w2k n SER 162 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1w2k n SER 163 N -2.43 2.75 -4.25 -3.46 3.41 -1.26 -5.06 113.62 103.32 1w2k n SER 163 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.30 1w2k n SER 163 Cb 0.29 0.90 0.18 0.00 -0.26 0.00 0.00 64.21 65.32 1w2k n SER 163 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1w2k s GLY 164 N -3.88 1.70 0.26 5.00 0.00 -1.26 -5.10 107.32 104.04 1w2k s GLY 164 Ca -0.04 -1.01 0.12 0.00 0.00 0.00 0.00 44.72 43.78 1w2k s GLY 164 CO 0.38 -0.28 -0.19 0.54 0.00 0.00 0.00 173.10 173.55 1w2k s LYS 165 N -5.70 1.70 0.02 2.90 1.02 -1.26 -4.53 119.74 113.88 1w2k s LYS 165 Ca 0.71 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 55.00 1w2k s LYS 165 Cb -0.07 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1w2k s LYS 165 CO 0.53 0.34 -0.05 0.15 -0.92 0.00 0.00 175.35 175.41 1w2k s LYS 166 N -3.39 0.36 0.28 1.68 1.02 -0.65 -5.03 119.74 114.02 1w2k s LYS 166 Ca 0.29 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.78 1w2k s LYS 166 Cb -0.06 -0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.12 1w2k s LYS 166 CO 0.15 0.00 -0.10 0.95 -0.92 0.00 0.00 175.35 175.43 1w2k s THR 167 N -1.20 1.92 -0.00 2.17 -4.23 -1.26 -1.43 115.64 111.61 1w2k s THR 167 Ca -0.11 -2.20 -0.23 0.00 -1.18 0.00 0.00 61.69 57.97 1w2k s THR 167 Cb -0.09 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1w2k s THR 167 CO -0.00 -0.33 0.51 0.00 -0.54 0.00 0.00 174.62 174.25 1w2k s ALA 168 N -2.84 -1.30 0.09 3.99 0.00 -0.89 -4.97 121.76 115.84 1w2k s ALA 168 Ca 0.29 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1w2k s ALA 168 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1w2k s ALA 168 CO 0.13 -0.39 -0.12 0.15 0.00 0.00 0.00 175.76 175.53 1w2k s LYS 169 N -1.74 0.84 -0.05 0.00 1.02 -1.26 -0.30 119.74 118.26 1w2k s LYS 169 Ca -0.09 -1.08 -0.06 0.00 0.02 0.00 0.00 55.97 54.75 1w2k s LYS 169 Cb -0.02 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 1w2k s LYS 169 CO 0.04 0.12 0.16 -0.08 -0.92 0.00 0.00 175.35 174.67 1w2k s THR 170 N -1.97 0.02 -0.93 2.17 -1.32 -0.70 -4.98 115.64 107.94 1w2k s THR 170 Ca 0.03 -0.16 0.28 0.00 -1.21 0.00 0.00 61.69 60.62 1w2k s THR 170 Cb -0.06 -0.29 0.20 0.00 -1.51 0.00 0.00 72.50 70.84 1w2k s THR 170 CO 0.01 -0.09 1.78 0.59 -2.21 0.00 0.00 174.62 174.71 1w2k n ASN 171 N 2.62 0.27 0.00 8.08 3.02 -1.26 -1.79 115.26 126.21 1w2k n ASN 171 Ca -0.15 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1w2k n ASN 171 Cb 0.58 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1w2k n ASN 171 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1w2k n THR 172 N -1.68 0.00 -1.51 3.41 -2.24 -1.26 -4.80 114.28 106.20 1w2k n THR 172 Ca 0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1w2k n THR 172 Cb 0.36 -0.01 0.19 0.00 -2.10 0.00 0.00 70.33 68.77 1w2k n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1w2k n ASN 173 N 0.00 2.58 -3.84 3.42 4.13 -1.26 -4.35 115.26 115.93 1w2k n ASN 173 Ca 0.00 -3.82 -0.12 0.00 1.68 0.00 0.00 54.58 52.33 1w2k n ASN 173 Cb 0.00 -0.62 -0.10 0.00 -1.54 0.00 0.00 39.78 37.52 1w2k n ASN 173 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1w2k s GLU 174 N -3.29 0.43 0.04 3.52 2.02 -1.26 -0.98 118.70 119.19 1w2k s GLU 174 Ca 0.45 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.31 1w2k s GLU 174 Cb 0.41 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.79 1w2k s GLU 174 CO -0.01 -0.10 -0.22 -0.06 0.02 0.00 0.00 175.26 174.89 1w2k s PHE 175 N -0.99 2.46 -0.42 1.61 0.40 0.19 -4.81 117.98 116.42 1w2k s PHE 175 Ca -0.11 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1w2k s PHE 175 Cb -0.06 -1.43 0.14 0.00 0.51 0.00 0.00 43.02 42.18 1w2k s PHE 175 CO 0.01 0.20 0.24 -1.17 0.70 0.00 0.00 175.22 175.21 1w2k s LEU 176 N -1.37 2.25 0.33 -0.37 2.96 -1.26 -0.65 118.68 120.57 1w2k s LEU 176 Ca 0.13 -2.53 0.08 0.00 -0.22 0.00 0.00 54.13 51.59 1w2k s LEU 176 Cb -0.10 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 1w2k s LEU 176 CO 0.04 -0.27 0.15 0.27 -1.32 0.00 0.00 176.35 175.22 1w2k s ILE 177 N 0.51 3.22 -0.24 6.68 -4.36 -0.99 -4.92 121.20 121.10 1w2k s ILE 177 Ca 0.18 -1.66 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 1w2k s ILE 177 Cb -0.23 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.42 1w2k s ILE 177 CO -0.00 -0.21 0.33 -1.81 0.24 0.00 0.00 174.94 173.48 1w2k s ASP 178 N -3.85 6.27 0.15 4.36 1.01 -1.26 -1.04 116.67 122.31 1w2k s ASP 178 Ca 0.37 0.31 0.07 0.00 0.71 0.00 0.00 52.55 54.02 1w2k s ASP 178 Cb -0.04 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1w2k s ASP 178 CO 0.23 -0.09 -0.06 0.68 0.21 0.00 0.00 175.17 176.14 1w2k s VAL 179 N 1.59 3.49 -0.25 -1.27 -7.23 0.11 -4.99 120.40 111.84 1w2k s VAL 179 Ca 0.14 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 1w2k s VAL 179 Cb -0.15 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1w2k s VAL 179 CO 0.08 -0.02 1.21 -1.81 -0.31 0.00 0.00 175.10 174.25 1w2k s ASP 180 N -2.61 6.87 0.36 4.85 1.01 -1.26 -4.72 116.67 121.16 1w2k s ASP 180 Ca 0.25 1.35 -0.23 0.00 0.71 0.00 0.00 52.55 54.62 1w2k s ASP 180 Cb -0.10 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.13 1w2k s ASP 180 CO 0.16 -0.88 0.23 1.17 0.21 0.00 0.00 175.17 176.05 1w2k n LYS 181 N 6.86 0.05 0.00 8.23 4.81 -1.26 -3.11 118.16 133.74 1w2k n LYS 181 Ca 0.14 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1w2k n LYS 181 Cb 0.46 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.47 1w2k n LYS 181 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1w2k n GLY 182 N 2.21 2.11 2.46 3.14 0.00 -1.26 -4.96 105.19 108.90 1w2k n GLY 182 Ca 0.13 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1w2k n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2k n GLU 183 N 0.00 0.00 -3.53 1.61 1.02 -1.18 -4.94 120.64 113.62 1w2k n GLU 183 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1w2k n GLU 183 Cb 0.00 -0.74 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1w2k n GLU 183 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1w2k s ASN 184 N -0.74 6.76 0.32 1.62 3.84 -1.26 -4.88 114.94 120.60 1w2k s ASN 184 Ca 0.45 0.91 0.07 0.00 0.21 0.00 0.00 52.86 54.50 1w2k s ASN 184 Cb -0.54 -2.23 -0.06 0.00 -0.55 0.00 0.00 41.25 37.87 1w2k s ASN 184 CO 0.45 0.30 -0.05 -0.31 -2.79 0.00 0.00 177.10 174.70 1w2k s TYR 185 N -1.14 2.15 0.09 0.43 2.02 -1.26 -4.44 117.35 115.19 1w2k s TYR 185 Ca 0.25 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 1w2k s TYR 185 Cb -0.16 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1w2k s TYR 185 CO 0.14 0.36 -0.11 0.00 -1.57 0.00 0.00 175.55 174.37 1w2k s PHE 187 N -2.12 1.17 -0.30 0.00 0.08 0.40 -2.27 117.98 114.93 1w2k s PHE 187 Ca 0.03 -0.95 -0.07 0.00 0.12 0.00 0.00 56.93 56.06 1w2k s PHE 187 Cb -0.05 -0.66 0.18 0.00 -0.57 0.00 0.00 43.02 41.92 1w2k s PHE 187 CO 0.00 -0.14 0.82 0.45 -0.10 0.00 0.00 175.22 176.25 1w2k s SER 188 N -3.15 -0.94 0.65 1.36 0.15 -1.06 -1.83 113.70 108.88 1w2k s SER 188 Ca 0.20 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1w2k s SER 188 Cb 0.05 1.80 0.10 0.00 -1.71 0.00 0.00 66.02 66.26 1w2k s SER 188 CO 0.02 -0.18 0.89 0.68 1.20 0.00 0.00 173.24 175.86 1w2k s VAL 189 N 2.89 2.26 -0.30 4.45 -7.23 -1.26 -1.58 120.40 119.63 1w2k s VAL 189 Ca 0.10 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 1w2k s VAL 189 Cb -0.13 -2.54 0.16 0.00 0.56 0.00 0.00 36.38 34.44 1w2k s VAL 189 CO -0.16 0.00 0.71 -1.58 -0.31 0.00 0.00 175.10 173.76 1w2k s GLN 190 N -4.94 0.51 0.30 4.82 0.74 -0.41 -1.47 119.66 119.21 1w2k s GLN 190 Ca 0.63 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 56.88 1w2k s GLN 190 Cb -0.06 0.66 -0.10 0.00 1.10 0.00 0.00 33.01 34.60 1w2k s GLN 190 CO 0.42 -0.32 1.42 0.00 -0.55 0.00 0.00 175.29 176.25 1w2k s ALA 191 N 2.82 3.59 -0.04 1.58 0.00 -1.26 -1.55 121.76 126.91 1w2k s ALA 191 Ca 0.04 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1w2k s ALA 191 Cb -0.12 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1w2k s ALA 191 CO -0.19 -0.77 0.09 0.08 0.00 0.00 0.00 175.76 174.97 1w2k s VAL 192 N -0.51 -0.01 -0.64 0.00 1.01 0.16 -1.24 120.40 119.17 1w2k s VAL 192 Ca 0.55 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1w2k s VAL 192 Cb -0.42 -0.14 0.16 0.00 0.00 0.00 0.00 36.38 35.98 1w2k s VAL 192 CO 0.49 0.02 0.42 -0.63 0.00 0.00 0.00 175.10 175.40 1w2k s ILE 193 N 0.28 2.61 0.24 2.22 1.01 0.29 -0.58 121.20 127.28 1w2k s ILE 193 Ca -0.02 -3.90 0.01 0.00 0.00 0.00 0.00 60.65 56.73 1w2k s ILE 193 Cb -0.03 -2.74 0.34 0.00 0.01 0.00 0.00 42.46 40.04 1w2k s ILE 193 CO -0.01 -0.97 1.25 -0.81 0.00 0.00 0.00 174.94 174.40 1w2k n PRO 194 N 2.33 -0.06 -0.20 2.79 -0.04 -1.25 -1.40 135.00 137.16 1w2k n PRO 194 Ca 0.17 1.20 0.02 0.00 -0.04 0.00 0.00 63.50 64.85 1w2k n PRO 194 Cb 0.35 -1.89 0.28 0.00 -0.04 0.00 0.00 33.50 32.20 1w2k n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w2k h SER 195 N 0.00 0.80 -1.94 3.54 4.64 -1.95 -3.45 113.55 115.20 1w2k h SER 195 Ca 0.47 -0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 61.12 1w2k h SER 195 Cb 0.94 -0.19 0.07 0.00 -0.31 0.00 0.00 62.40 62.91 1w2k h SER 195 CO -0.76 0.57 0.38 0.54 -0.87 0.00 0.00 176.83 176.69 1w2k n ARG 196 N -4.44 1.28 0.12 4.77 1.74 -0.50 -4.93 116.66 114.71 1w2k n ARG 196 Ca 0.08 0.46 -0.24 0.00 -0.77 0.00 0.00 57.85 57.38 1w2k n ARG 196 Cb 0.07 -2.03 -0.16 0.00 -1.02 0.00 0.00 32.46 29.33 1w2k n ARG 196 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1w2k h THR 197 N 2.95 1.22 -4.07 0.55 1.35 -1.88 -3.42 112.91 109.61 1w2k h THR 197 Ca -0.45 -2.64 -0.52 0.00 -0.55 0.00 0.00 66.41 62.25 1w2k h THR 197 Cb 1.33 3.00 -0.25 0.00 -1.73 0.00 0.00 68.15 70.50 1w2k h THR 197 CO 0.74 0.81 -0.82 0.68 -0.25 0.00 0.00 175.52 176.68 1w2k s VAL 198 N -2.58 1.46 -1.23 6.82 -7.23 -1.26 -4.81 120.40 111.56 1w2k s VAL 198 Ca -0.11 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 1w2k s VAL 198 Cb 0.04 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 1w2k s VAL 198 CO 0.92 0.07 0.73 0.59 -0.31 0.00 0.00 175.10 177.10 1w2k n ASN 199 N 1.71 -3.03 0.01 4.85 5.03 -1.26 -4.79 115.26 117.78 1w2k n ASN 199 Ca -0.18 -0.88 0.11 0.00 0.87 0.00 0.00 54.58 54.51 1w2k n ASN 199 Cb 0.54 -3.94 0.12 0.00 -1.02 0.00 0.00 39.78 35.47 1w2k n ASN 199 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 1w2k n ARG 200 N -4.11 0.08 -4.80 3.52 1.85 -1.26 -4.81 116.66 107.13 1w2k n ARG 200 Ca -0.21 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.39 1w2k n ARG 200 Cb 0.65 -1.53 -0.16 0.00 -1.05 0.00 0.00 32.46 30.36 1w2k n ARG 200 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1w2k s LYS 201 N -3.05 1.67 0.52 2.89 1.02 -1.26 -0.54 119.74 120.98 1w2k s LYS 201 Ca 0.08 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1w2k s LYS 201 Cb 0.16 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1w2k s LYS 201 CO 0.76 0.25 0.76 -1.54 -0.92 0.00 0.00 175.35 174.66 1w2k s SER 202 N -0.00 5.52 1.02 2.83 1.04 -0.37 -4.88 113.70 118.86 1w2k s SER 202 Ca -0.03 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 1w2k s SER 202 Cb -0.11 -1.27 0.20 0.00 0.10 0.00 0.00 66.02 64.95 1w2k s SER 202 CO 0.02 -0.97 1.07 0.28 0.98 0.00 0.00 173.24 174.62 1w2k s THR 203 N -2.73 2.21 0.36 2.02 -1.32 -1.26 -4.64 115.64 110.28 1w2k s THR 203 Ca 0.53 0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.83 1w2k s THR 203 Cb -0.10 -2.36 -0.09 0.00 -1.51 0.00 0.00 72.50 68.43 1w2k s THR 203 CO 0.39 -0.09 1.05 -1.81 -2.21 0.00 0.00 174.62 171.95 1w2k s ASP 204 N -3.05 6.94 0.86 8.08 1.01 -1.26 -4.31 116.67 124.95 1w2k s ASP 204 Ca 0.66 2.06 -0.12 0.00 0.71 0.00 0.00 52.55 55.86 1w2k s ASP 204 Cb -0.21 -2.59 0.11 0.00 1.01 0.00 0.00 42.92 41.24 1w2k s ASP 204 CO 0.60 -0.36 1.15 -0.94 0.21 0.00 0.00 175.17 175.83 1w2k s SER 205 N -1.42 3.98 0.71 0.27 1.04 -0.54 -4.76 113.70 112.97 1w2k s SER 205 Ca 0.54 0.92 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 1w2k s SER 205 Cb -0.24 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.43 1w2k s SER 205 CO 0.30 -2.25 1.14 -2.84 0.98 0.00 0.00 173.24 170.57 1w2k s PRO 206 N -5.38 2.45 0.13 4.02 0.02 -1.26 -4.73 135.00 130.25 1w2k s PRO 206 Ca 0.63 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.86 1w2k s PRO 206 Cb -0.13 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 1w2k s PRO 206 CO 0.52 -1.54 0.84 0.08 -0.33 0.00 0.00 177.00 176.57 1w2k s VAL 207 N -2.31 4.44 -0.06 3.83 1.01 -1.26 -4.66 120.40 121.39 1w2k s VAL 207 Ca 0.68 1.84 0.02 0.00 0.00 0.00 0.00 61.98 64.52 1w2k s VAL 207 Cb -0.23 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1w2k s VAL 207 CO 0.45 0.43 -0.11 -1.61 0.00 0.00 0.00 175.10 174.26 1w2k s GLU 208 N -0.60 1.57 0.03 2.72 0.41 -0.76 -4.94 118.70 117.12 1w2k s GLU 208 Ca 0.40 -0.38 0.08 0.00 -0.41 0.00 0.00 54.97 54.66 1w2k s GLU 208 Cb -0.23 -1.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.78 1w2k s GLU 208 CO 0.27 0.03 -0.23 0.00 -0.49 0.00 0.00 175.26 174.84