#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 n GLN 2 N 0.00 -4.36 -4.13 0.03 1.13 -1.26 -5.05 117.38 103.73 2kb0 n GLN 2 Ca 0.00 3.31 -0.09 0.00 -1.94 0.00 0.00 57.00 58.28 2kb0 n GLN 2 Cb 0.00 -4.98 -0.10 0.00 0.11 0.00 0.00 30.24 25.27 2kb0 n GLN 2 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2kb0 s THR 3 N -0.79 0.33 -0.18 5.09 -1.32 -1.26 -4.81 115.64 112.70 2kb0 s THR 3 Ca -0.24 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.37 2kb0 s THR 3 Cb 0.02 -1.73 0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2kb0 s THR 3 CO 0.77 -0.80 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.55 2kb0 s ILE 4 N -3.87 2.04 -0.12 5.08 1.01 -1.25 -5.07 121.20 119.02 2kb0 s ILE 4 Ca 0.14 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 2kb0 s ILE 4 Cb 0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2kb0 s ILE 4 CO -0.05 0.54 0.42 -0.54 0.00 0.00 0.00 174.94 175.31 2kb0 s LYS 5 N 1.28 4.29 -0.04 2.79 1.02 -1.26 -3.11 119.74 124.71 2kb0 s LYS 5 Ca 0.04 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.39 2kb0 s LYS 5 Cb -0.13 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2kb0 s LYS 5 CO -0.12 0.22 -0.04 0.00 -0.92 0.00 0.00 175.35 174.49 2kb0 s VAL 7 N 0.93 2.46 -0.13 0.00 1.01 -1.22 -3.23 120.40 120.22 2kb0 s VAL 7 Ca -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 2kb0 s VAL 7 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2kb0 s VAL 7 CO -0.00 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2kb0 s VAL 8 N -0.76 4.07 -0.02 2.92 1.01 -1.25 -2.93 120.40 123.45 2kb0 s VAL 8 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2kb0 s VAL 8 Cb -0.10 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2kb0 s VAL 8 CO 0.02 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 174.99 2kb0 s VAL 9 N -0.10 -0.04 -0.30 2.92 1.01 -0.95 -4.84 120.40 118.12 2kb0 s VAL 9 Ca 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2kb0 s VAL 9 Cb -0.13 -0.07 0.19 0.00 0.00 0.00 0.00 36.38 36.37 2kb0 s VAL 9 CO 0.02 0.05 0.91 -0.83 0.00 0.00 0.00 175.10 175.26 2kb0 s GLY 10 N 0.66 -1.04 0.24 4.51 0.00 -1.26 -2.47 107.32 107.95 2kb0 s GLY 10 Ca -0.05 1.78 -0.07 0.00 0.00 0.00 0.00 44.72 46.38 2kb0 s GLY 10 CO -0.02 3.99 1.90 -1.80 0.00 0.00 0.00 173.10 177.17 2kb0 h ASP 11 N 7.45 1.10 -3.27 1.64 3.58 -2.00 -3.39 116.42 121.53 2kb0 h ASP 11 Ca -0.07 -0.04 -0.59 0.00 0.42 0.00 0.00 57.03 56.74 2kb0 h ASP 11 Cb 1.18 -0.28 -0.09 0.00 1.72 0.00 0.00 39.33 41.87 2kb0 h ASP 11 CO -0.02 0.81 0.50 -0.83 -2.88 0.00 0.00 179.24 176.82 2kb0 s GLY 12 N -3.10 1.76 0.00 -0.78 0.00 -1.26 -4.90 107.32 99.03 2kb0 s GLY 12 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2kb0 s GLY 12 CO 0.81 1.83 0.00 0.00 0.00 0.00 0.00 173.10 175.75 2kb0 n ALA 13 N 6.02 0.00 -0.31 3.20 0.00 -1.26 -4.29 120.51 123.87 2kb0 n ALA 13 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2kb0 n ALA 13 Cb 0.47 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.01 2kb0 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kb0 h VAL 14 N 0.00 1.19 -2.04 0.00 2.07 -1.97 -2.66 116.25 112.84 2kb0 h VAL 14 Ca 0.00 -0.38 -0.76 0.00 0.82 0.00 0.00 66.70 66.38 2kb0 h VAL 14 Cb 0.00 -0.02 -0.29 0.00 -1.52 0.00 0.00 31.29 29.46 2kb0 h VAL 14 CO 0.00 0.20 0.83 0.61 0.02 0.00 0.00 177.57 179.24 2kb0 n GLY 15 N -1.33 5.74 0.36 2.17 0.00 -1.26 -4.73 105.19 106.15 2kb0 n GLY 15 Ca 0.09 -2.55 -0.03 0.00 0.00 0.00 0.00 46.02 43.53 2kb0 n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kb0 h LYS 16 N 3.29 1.28 -0.56 1.61 2.10 -1.87 -2.09 116.57 120.32 2kb0 h LYS 16 Ca 0.52 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.98 2kb0 h LYS 16 Cb 0.20 -0.26 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 2kb0 h LYS 16 CO 1.29 0.91 0.09 1.15 -2.00 0.00 0.00 179.45 180.89 2kb0 h THR 17 N 1.29 1.25 -0.23 0.07 2.02 -1.88 -2.27 112.91 113.16 2kb0 h THR 17 Ca 0.33 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.61 2kb0 h THR 17 Cb -0.03 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2kb0 h THR 17 CO -0.06 0.35 0.17 0.00 0.37 0.00 0.00 175.52 176.35 2kb0 h LEU 19 N 0.04 0.94 -0.51 0.00 5.85 -0.89 0.12 115.31 120.86 2kb0 h LEU 19 Ca 0.11 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2kb0 h LEU 19 Cb 0.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kb0 h LEU 19 CO -0.01 0.74 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.55 2kb0 h LEU 20 N 1.06 1.01 -0.14 2.25 3.38 -1.10 -2.43 115.31 119.34 2kb0 h LEU 20 Ca 0.28 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kb0 h LEU 20 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2kb0 h LEU 20 CO -0.05 1.18 0.05 0.40 0.09 0.00 0.00 178.44 180.11 2kb0 h ILE 21 N 0.85 1.17 -0.68 1.22 1.08 -0.77 0.31 117.51 120.68 2kb0 h ILE 21 Ca 0.11 -0.51 0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2kb0 h ILE 21 Cb 0.79 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2kb0 h ILE 21 CO 0.07 0.16 0.45 0.28 -0.69 0.00 0.00 178.15 178.41 2kb0 h SER 22 N 0.06 0.70 0.00 1.72 0.02 -0.72 0.42 113.55 115.75 2kb0 h SER 22 Ca 0.05 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kb0 h SER 22 Cb 0.20 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2kb0 h SER 22 CO -0.00 0.48 -0.02 0.22 -1.14 0.00 0.00 176.83 176.37 2kb0 h TYR 23 N 0.81 0.00 -0.86 3.45 3.20 -1.14 -3.22 116.97 119.20 2kb0 h TYR 23 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2kb0 h TYR 23 Cb 0.07 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2kb0 h TYR 23 CO -0.00 0.92 0.55 1.15 -1.64 0.00 0.00 178.16 179.14 2kb0 h THR 24 N -1.00 1.23 0.00 1.81 2.02 -0.26 -3.43 112.91 113.28 2kb0 h THR 24 Ca -0.01 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2kb0 h THR 24 Cb 0.92 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2kb0 h THR 24 CO -0.00 0.23 0.00 0.35 0.37 0.00 0.00 175.52 176.47 2kb0 n THR 25 N -4.46 0.00 -1.38 3.16 -2.24 0.15 -5.07 114.28 104.44 2kb0 n THR 25 Ca 0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2kb0 n THR 25 Cb 0.03 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2kb0 n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2kb0 n ASN 26 N 0.00 -0.06 -4.37 3.42 6.94 -1.22 -4.88 115.26 115.10 2kb0 n ASN 26 Ca 0.00 -0.37 -0.43 0.00 -0.02 0.00 0.00 54.58 53.76 2kb0 n ASN 26 Cb 0.00 0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.35 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2kb0 s LYS 27 N 0.00 2.87 0.12 -3.83 1.02 -1.26 -4.93 119.74 113.72 2kb0 s LYS 27 Ca 0.00 -1.27 -0.14 0.00 0.02 0.00 0.00 55.97 54.58 2kb0 s LYS 27 Cb 0.00 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2kb0 s LYS 27 CO 0.00 -0.90 1.51 0.74 -0.92 0.00 0.00 175.35 175.78 2kb0 h PHE 28 N 8.60 0.84 -0.02 3.18 0.04 -1.89 -2.90 116.94 124.80 2kb0 h PHE 28 Ca -0.26 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2kb0 h PHE 28 Cb 1.10 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 2kb0 h PHE 28 CO 0.60 0.90 0.02 -1.35 -0.60 0.00 0.00 178.31 177.88 2kb0 h PRO 29 N 0.54 0.00 -7.01 1.51 0.11 -1.91 -3.46 132.00 121.78 2kb0 h PRO 29 Ca 0.09 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.60 2kb0 h PRO 29 Cb 0.65 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.46 2kb0 h PRO 29 CO 0.04 0.00 -0.89 0.43 -0.21 0.00 0.00 178.00 177.37 2kb0 n SER 30 N -4.04 -1.86 -0.43 -2.05 7.64 -1.09 -4.68 113.62 107.10 2kb0 n SER 30 Ca -0.03 -1.17 0.36 0.00 1.01 0.00 0.00 58.87 59.05 2kb0 n SER 30 Cb 0.10 -2.04 0.61 0.00 -1.01 0.00 0.00 64.21 61.87 2kb0 n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kb0 n GLU 31 N -4.25 -0.03 -4.32 1.43 1.02 -1.26 -3.78 120.64 109.45 2kb0 n GLU 31 Ca 0.03 1.10 -0.33 0.00 -0.02 0.00 0.00 57.16 57.93 2kb0 n GLU 31 Cb 0.51 -2.19 -0.15 0.00 -0.02 0.00 0.00 31.44 29.58 2kb0 n GLU 31 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kb0 s TYR 32 N -5.03 2.79 -0.56 -0.32 2.02 -1.26 -5.05 117.35 109.94 2kb0 s TYR 32 Ca -0.06 -1.26 0.06 0.00 -0.37 0.00 0.00 57.07 55.43 2kb0 s TYR 32 Cb 0.27 -1.92 0.21 0.00 -0.40 0.00 0.00 41.96 40.11 2kb0 s TYR 32 CO 0.73 -0.61 0.53 1.33 -1.57 0.00 0.00 175.55 175.96 2kb0 n VAL 33 N 4.36 0.74 0.00 0.71 0.24 -1.25 -5.02 118.33 118.11 2kb0 n VAL 33 Ca -0.20 -4.47 0.00 0.00 -2.04 0.00 0.00 64.34 57.63 2kb0 n VAL 33 Cb 0.51 -2.00 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 2kb0 n VAL 33 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2kb0 n PRO 34 N 1.77 0.00 0.00 7.34 -0.04 -1.26 -5.07 135.00 137.74 2kb0 n PRO 34 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2kb0 n PRO 34 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2kb0 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb0 n ALA 35 N -3.00 0.00 -0.12 0.55 0.00 -1.26 -5.05 120.51 111.64 2kb0 n ALA 35 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2kb0 n ALA 35 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kb0 h VAL 36 N 0.00 1.29 -3.31 0.00 2.07 -2.02 -3.42 116.25 110.85 2kb0 h VAL 36 Ca 0.00 -1.43 -0.64 0.00 0.82 0.00 0.00 66.70 65.45 2kb0 h VAL 36 Cb 0.00 1.42 -0.22 0.00 -1.52 0.00 0.00 31.29 30.97 2kb0 h VAL 36 CO 0.00 0.47 -0.67 -0.36 0.02 0.00 0.00 177.57 177.03 2kb0 s PHE 37 N -4.48 3.02 0.00 1.57 0.08 -1.26 -5.10 117.98 111.81 2kb0 s PHE 37 Ca -0.12 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2kb0 s PHE 37 Cb 0.10 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2kb0 s PHE 37 CO 0.85 -0.02 0.00 -3.47 -0.10 0.00 0.00 175.22 172.47 2kb0 n ASP 38 N 3.47 0.00 -4.64 1.36 2.03 -1.26 -4.91 116.55 112.59 2kb0 n ASP 38 Ca -0.17 0.00 -0.61 0.00 0.52 0.00 0.00 54.79 54.53 2kb0 n ASP 38 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 2kb0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kb0 n ASN 39 N 0.00 1.08 -4.15 1.67 2.85 -1.26 -4.93 115.26 110.52 2kb0 n ASN 39 Ca 0.00 1.15 -0.17 0.00 -0.11 0.00 0.00 54.58 55.45 2kb0 n ASN 39 Cb 0.00 -0.99 -0.12 0.00 1.24 0.00 0.00 39.78 39.91 2kb0 n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kb0 s TYR 40 N 1.70 1.08 -0.07 1.20 5.04 -1.26 -5.09 117.35 119.95 2kb0 s TYR 40 Ca 0.96 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 2kb0 s TYR 40 Cb -1.26 -0.61 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 2kb0 s TYR 40 CO 0.65 0.02 0.09 0.00 -1.34 0.00 0.00 175.55 174.97 2kb0 s ALA 41 N -1.36 3.64 -0.08 3.97 0.00 -1.26 -3.82 121.76 122.85 2kb0 s ALA 41 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2kb0 s ALA 41 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2kb0 s ALA 41 CO 0.02 0.64 -0.22 0.08 0.00 0.00 0.00 175.76 176.27 2kb0 s VAL 42 N -1.06 2.26 -0.13 0.00 1.01 -0.43 -5.00 120.40 117.05 2kb0 s VAL 42 Ca 0.18 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2kb0 s VAL 42 Cb -0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2kb0 s VAL 42 CO 0.07 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.86 2kb0 s THR 43 N -0.03 4.40 -0.06 3.92 2.01 -1.26 -0.68 115.64 123.93 2kb0 s THR 43 Ca -0.07 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2kb0 s THR 43 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2kb0 s THR 43 CO 0.05 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 2kb0 s VAL 44 N -0.21 2.32 -0.07 3.82 1.01 -0.84 -4.94 120.40 121.48 2kb0 s VAL 44 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2kb0 s VAL 44 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2kb0 s VAL 44 CO 0.02 0.57 0.03 -0.04 0.00 0.00 0.00 175.10 175.68 2kb0 s MET 45 N -0.22 3.04 0.01 2.72 -1.94 -1.26 -1.99 119.30 119.65 2kb0 s MET 45 Ca -0.01 -0.40 0.07 0.00 -1.71 0.00 0.00 55.69 53.64 2kb0 s MET 45 Cb -0.13 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 2kb0 s MET 45 CO 0.03 0.70 -0.22 0.42 -0.01 0.00 0.00 175.02 175.94 2kb0 s ILE 46 N -0.97 1.78 0.61 2.53 1.01 -1.23 -4.97 121.20 119.95 2kb0 s ILE 46 Ca 0.16 -1.06 0.26 0.00 0.00 0.00 0.00 60.65 60.01 2kb0 s ILE 46 Cb -0.12 -1.50 0.37 0.00 0.01 0.00 0.00 42.46 41.23 2kb0 s ILE 46 CO 0.05 0.41 1.48 1.23 0.00 0.00 0.00 174.94 178.11 2kb0 h GLY 47 N 5.31 0.00 0.00 6.18 0.00 -2.04 -3.08 103.07 109.44 2kb0 h GLY 47 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2kb0 h GLY 47 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.61 2kb0 n GLY 48 N -1.63 1.81 3.30 4.60 0.00 -1.26 -5.03 105.19 106.98 2kb0 n GLY 48 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N 0.01 1.17 0.28 1.61 0.41 -1.16 -5.12 118.70 115.89 2kb0 s GLU 49 Ca 0.00 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 52.95 2kb0 s GLU 49 Cb 0.00 -1.20 -0.10 0.00 -1.78 0.00 0.00 34.13 31.05 2kb0 s GLU 49 CO 0.00 0.25 1.25 -1.25 -0.49 0.00 0.00 175.26 175.02 2kb0 s PRO 50 N -2.63 4.44 0.10 0.39 0.04 -1.26 -3.53 135.00 132.54 2kb0 s PRO 50 Ca 0.12 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2kb0 s PRO 50 Cb -0.06 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2kb0 s PRO 50 CO 0.05 -0.10 -0.12 0.71 0.04 0.00 0.00 177.00 177.58 2kb0 s TYR 51 N -0.76 1.17 0.10 0.56 2.02 -0.84 -4.96 117.35 114.63 2kb0 s TYR 51 Ca 0.50 -0.59 0.09 0.00 -0.37 0.00 0.00 57.07 56.70 2kb0 s TYR 51 Cb -0.37 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 2kb0 s TYR 51 CO 0.45 0.05 -0.22 0.95 -1.57 0.00 0.00 175.55 175.21 2kb0 s THR 52 N -2.15 2.54 -0.13 -0.71 -4.23 -1.26 -1.99 115.64 107.71 2kb0 s THR 52 Ca 0.05 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2kb0 s THR 52 Cb -0.05 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.70 2kb0 s THR 52 CO 0.01 0.18 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.91 2kb0 s LEU 53 N -1.84 1.70 -0.21 4.79 2.96 0.14 -3.74 118.68 122.47 2kb0 s LEU 53 Ca 0.15 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2kb0 s LEU 53 Cb -0.10 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 2kb0 s LEU 53 CO 0.07 -0.02 0.09 -0.83 -1.32 0.00 0.00 176.35 174.33 2kb0 s GLY 54 N 1.26 1.89 -0.12 7.98 0.00 -1.18 -1.32 107.32 115.84 2kb0 s GLY 54 Ca -0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 2kb0 s GLY 54 CO -0.07 0.24 0.04 1.08 0.00 0.00 0.00 173.10 174.40 2kb0 s LEU 55 N 0.82 3.76 0.12 0.66 1.43 -1.25 -2.57 118.68 121.65 2kb0 s LEU 55 Ca 0.05 0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2kb0 s LEU 55 Cb -0.13 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2kb0 s LEU 55 CO 0.02 0.33 -0.24 -0.36 0.23 0.00 0.00 176.35 176.33 2kb0 s PHE 56 N -0.57 2.08 0.11 0.29 0.08 -1.20 -4.46 117.98 114.31 2kb0 s PHE 56 Ca 0.10 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2kb0 s PHE 56 Cb -0.12 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 2kb0 s PHE 56 CO 0.02 0.27 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.88 2kb0 s ASP 57 N -1.97 0.95 0.62 1.36 1.01 -1.26 -3.77 116.67 113.60 2kb0 s ASP 57 Ca 0.11 -1.06 -0.09 0.00 0.71 0.00 0.00 52.55 52.22 2kb0 s ASP 57 Cb -0.10 0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.96 2kb0 s ASP 57 CO 0.05 -0.54 0.97 0.42 0.21 0.00 0.00 175.17 176.28 2kb0 s THR 58 N -3.73 4.07 0.00 -1.27 -4.23 -1.26 -5.08 115.64 104.14 2kb0 s THR 58 Ca 0.15 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 2kb0 s THR 58 Cb 0.06 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2kb0 s THR 58 CO -0.03 -0.75 0.31 0.00 -0.54 0.00 0.00 174.62 173.61 2kb0 s ALA 59 N -3.11 -0.76 -0.62 3.99 0.00 -1.26 -5.05 121.76 114.95 2kb0 s ALA 59 Ca 0.54 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2kb0 s ALA 59 Cb -0.11 0.14 0.41 0.00 0.00 0.00 0.00 23.12 23.57 2kb0 s ALA 59 CO 0.49 -0.30 1.70 0.41 0.00 0.00 0.00 175.76 178.06 2kb0 n GLY 60 N 1.08 5.88 3.60 0.00 0.00 -1.26 -4.80 105.19 109.70 2kb0 n GLY 60 Ca -0.21 -2.52 -0.38 0.00 0.00 0.00 0.00 46.02 42.91 2kb0 n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kb0 s GLN 61 N -3.81 3.98 0.00 1.61 0.74 -1.26 -4.35 119.66 116.56 2kb0 s GLN 61 Ca 0.55 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.71 2kb0 s GLN 61 Cb 0.45 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2kb0 s GLN 61 CO -0.17 -0.16 0.00 -1.91 -0.55 0.00 0.00 175.29 172.50 2kb0 n GLU 62 N 4.98 0.00 0.00 1.67 2.13 -1.26 -4.08 120.64 124.08 2kb0 n GLU 62 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2kb0 n GLU 62 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2kb0 n ASP 63 N 0.22 0.06 -1.16 4.31 5.68 -1.26 -1.96 116.55 122.43 2kb0 n ASP 63 Ca 0.00 -0.31 0.11 0.00 -0.50 0.00 0.00 54.79 54.08 2kb0 n ASP 63 Cb 0.00 -0.03 0.28 0.00 -1.14 0.00 0.00 41.12 40.23 2kb0 n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kb0 n TYR 64 N -0.15 0.79 -0.23 2.11 9.36 -1.26 -3.84 117.16 123.95 2kb0 n TYR 64 Ca 0.00 -0.40 -0.06 0.00 3.32 0.00 0.00 57.90 60.77 2kb0 n TYR 64 Cb 0.01 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.77 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2kb0 h ASP 65 N 3.80 0.76 0.00 2.98 3.32 -1.76 -3.42 116.42 122.10 2kb0 h ASP 65 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2kb0 h ASP 65 Cb 0.86 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2kb0 h ASP 65 CO 0.00 0.56 0.00 -1.14 -1.72 0.00 0.00 179.24 176.94 2kb0 n ARG 66 N -4.62 0.00 -3.19 3.56 0.63 -1.26 -5.13 116.66 106.65 2kb0 n ARG 66 Ca 0.05 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.59 2kb0 n ARG 66 Cb 0.03 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.88 2kb0 n ARG 66 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kb0 s LEU 67 N 0.00 4.46 0.00 6.15 1.43 -1.25 -4.92 118.68 124.54 2kb0 s LEU 67 Ca 0.00 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2kb0 s LEU 67 Cb 0.00 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2kb0 s LEU 67 CO 0.00 0.15 0.00 -1.14 0.23 0.00 0.00 176.35 175.59 2kb0 n ARG 68 N 2.42 0.00 0.00 1.70 0.63 -1.26 -4.73 116.66 115.41 2kb0 n ARG 68 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2kb0 n ARG 68 Cb 0.51 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 32.96 2kb0 n ARG 68 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2kb0 n PRO 69 N -1.98 0.38 0.02 -0.14 -0.02 -1.26 -4.03 135.00 127.98 2kb0 n PRO 69 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 2kb0 n PRO 69 Cb 0.11 -1.24 0.57 0.00 -0.02 0.00 0.00 33.50 32.92 2kb0 n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kb0 h LEU 70 N 1.03 0.20 0.00 2.45 3.38 -2.00 -3.46 115.31 116.91 2kb0 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb0 h LEU 70 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kb0 h LEU 70 CO 0.00 0.13 0.00 -0.24 0.09 0.00 0.00 178.44 178.42 2kb0 n SER 71 N -4.46 0.00 -4.43 -0.43 2.88 -1.26 -4.73 113.62 101.20 2kb0 n SER 71 Ca 0.06 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.31 2kb0 n SER 71 Cb 0.34 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 2kb0 n SER 71 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kb0 s TYR 72 N 0.00 2.41 0.27 0.66 -0.85 -1.26 -5.04 117.35 113.54 2kb0 s TYR 72 Ca 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.20 2kb0 s TYR 72 Cb 0.00 -1.30 0.37 0.00 0.38 0.00 0.00 41.96 41.41 2kb0 s TYR 72 CO 0.00 0.35 1.81 -1.00 -1.52 0.00 0.00 175.55 175.19 2kb0 h PRO 73 N 3.87 0.85 -0.41 -3.49 0.13 -2.02 -3.44 132.00 127.50 2kb0 h PRO 73 Ca -0.50 -0.18 0.23 0.00 -0.87 0.00 0.00 66.00 64.68 2kb0 h PRO 73 Cb 1.17 -0.12 -0.24 0.00 0.13 0.00 0.00 31.00 31.94 2kb0 h PRO 73 CO 0.42 0.77 0.30 -1.14 -0.23 0.00 0.00 178.00 178.13 2kb0 s GLN 74 N -5.20 0.15 -0.12 0.86 0.74 -1.26 -5.15 119.66 109.67 2kb0 s GLN 74 Ca -0.10 0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.66 2kb0 s GLN 74 Cb 0.15 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.45 2kb0 s GLN 74 CO 0.81 -0.10 -0.19 0.99 -0.55 0.00 0.00 175.29 176.25 2kb0 s THR 75 N 2.55 2.46 0.31 -0.34 2.01 -1.26 -5.00 115.64 116.37 2kb0 s THR 75 Ca -0.02 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2kb0 s THR 75 Cb -0.06 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.55 2kb0 s THR 75 CO -0.14 0.54 1.79 0.44 -0.69 0.00 0.00 174.62 176.56 2kb0 h ASP 76 N 6.91 0.42 -3.60 3.53 3.32 -1.99 -3.43 116.42 121.59 2kb0 h ASP 76 Ca -0.25 -0.12 -0.36 0.00 0.02 0.00 0.00 57.03 56.32 2kb0 h ASP 76 Cb 1.22 -0.11 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 2kb0 h ASP 76 CO 0.52 0.62 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.22 2kb0 s VAL 77 N -4.61 0.37 -0.17 -1.35 1.01 -1.24 -4.68 120.40 109.72 2kb0 s VAL 77 Ca -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2kb0 s VAL 77 Cb 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2kb0 s VAL 77 CO 0.77 0.16 -0.07 0.12 0.00 0.00 0.00 175.10 176.09 2kb0 s PHE 78 N 0.65 2.93 -0.06 5.22 5.36 -1.25 -3.43 117.98 127.40 2kb0 s PHE 78 Ca -0.08 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 2kb0 s PHE 78 Cb -0.11 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2kb0 s PHE 78 CO -0.01 -0.28 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.90 2kb0 s LEU 79 N 0.77 3.20 -0.05 6.12 1.43 -1.15 -2.43 118.68 126.58 2kb0 s LEU 79 Ca -0.03 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2kb0 s LEU 79 Cb -0.15 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2kb0 s LEU 79 CO 0.02 0.36 -0.23 -0.69 0.23 0.00 0.00 176.35 176.03 2kb0 s VAL 80 N -0.83 1.91 -0.10 -1.59 1.01 -1.09 -2.24 120.40 117.47 2kb0 s VAL 80 Ca 0.13 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2kb0 s VAL 80 Cb -0.11 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2kb0 s VAL 80 CO 0.02 0.53 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 2kb0 s PHE 82 N 1.55 0.38 0.03 0.00 -0.71 -1.25 -4.33 117.98 113.65 2kb0 s PHE 82 Ca 0.02 -0.78 -0.19 0.00 -1.04 0.00 0.00 56.93 54.93 2kb0 s PHE 82 Cb -0.13 -0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.49 2kb0 s PHE 82 CO -0.06 -0.62 0.56 0.45 -1.34 0.00 0.00 175.22 174.21 2kb0 s SER 83 N -2.94 6.99 0.03 1.98 0.15 -1.26 -2.86 113.70 115.79 2kb0 s SER 83 Ca 0.13 1.18 0.23 0.00 0.70 0.00 0.00 55.95 58.19 2kb0 s SER 83 Cb 0.05 -2.35 0.14 0.00 -1.71 0.00 0.00 66.02 62.15 2kb0 s SER 83 CO -0.04 0.20 1.12 0.55 1.20 0.00 0.00 173.24 176.27 2kb0 n VAL 84 N 2.21 0.10 0.66 4.45 3.14 -1.25 -3.95 118.33 123.68 2kb0 n VAL 84 Ca -0.09 -0.14 0.12 0.00 -2.96 0.00 0.00 64.34 61.27 2kb0 n VAL 84 Cb 0.51 0.33 0.14 0.00 -1.06 0.00 0.00 33.84 33.76 2kb0 n VAL 84 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2kb0 n VAL 85 N -1.77 0.23 -3.75 1.55 0.31 -1.26 -3.45 118.33 110.18 2kb0 n VAL 85 Ca 0.03 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2kb0 n VAL 85 Cb 0.39 0.05 -0.09 0.00 -0.91 0.00 0.00 33.84 33.29 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2kb0 s SER 86 N -3.89 6.09 -0.01 4.52 0.01 -1.25 -4.38 113.70 114.79 2kb0 s SER 86 Ca 0.06 0.17 -0.22 0.00 1.31 0.00 0.00 55.95 57.28 2kb0 s SER 86 Cb 0.14 -2.07 -0.20 0.00 0.21 0.00 0.00 66.02 64.10 2kb0 s SER 86 CO 0.74 0.15 1.16 1.55 0.41 0.00 0.00 173.24 177.25 2kb0 h PRO 87 N 6.91 0.29 -0.87 12.44 0.13 -1.88 -2.81 132.00 146.21 2kb0 h PRO 87 Ca -0.40 -0.24 0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2kb0 h PRO 87 Cb 1.16 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2kb0 h PRO 87 CO 0.72 0.89 0.52 0.77 -0.23 0.00 0.00 178.00 180.67 2kb0 h SER 88 N -0.23 0.75 0.70 1.44 0.02 -1.97 0.46 113.55 114.73 2kb0 h SER 88 Ca -0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2kb0 h SER 88 Cb 0.95 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 2kb0 h SER 88 CO 0.06 0.43 -0.13 0.77 -1.14 0.00 0.00 176.83 176.82 2kb0 h SER 89 N 0.86 0.00 0.03 3.07 4.64 -1.88 -0.87 113.55 119.41 2kb0 h SER 89 Ca 0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2kb0 h SER 89 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2kb0 h SER 89 CO -0.24 0.13 -0.02 0.15 -0.87 0.00 0.00 176.83 175.98 2kb0 h PHE 90 N 0.00 -0.04 -0.36 4.77 3.57 0.16 -3.10 116.94 121.94 2kb0 h PHE 90 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2kb0 h PHE 90 Cb 0.51 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2kb0 h PHE 90 CO 0.00 0.53 -0.25 0.93 -2.23 0.00 0.00 178.31 177.29 2kb0 h GLU 91 N -0.65 0.71 -0.81 1.11 4.39 -1.13 -2.76 114.58 115.45 2kb0 h GLU 91 Ca -0.00 -0.29 0.17 0.00 0.34 0.00 0.00 59.36 59.57 2kb0 h GLU 91 Cb 0.59 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2kb0 h GLU 91 CO 0.01 0.89 0.54 -0.97 -1.16 0.00 0.00 179.01 178.32 2kb0 h ASN 92 N 0.62 0.39 -0.75 1.42 -1.24 -1.19 0.44 115.58 115.27 2kb0 h ASN 92 Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2kb0 h ASN 92 Cb 0.75 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.71 2kb0 h ASN 92 CO 0.06 0.18 0.42 0.58 -1.29 0.00 0.00 177.43 177.38 2kb0 h VAL 93 N 0.40 1.22 0.02 2.57 2.07 -1.41 -2.21 116.25 118.92 2kb0 h VAL 93 Ca 0.40 -0.56 -0.34 0.00 0.82 0.00 0.00 66.70 67.03 2kb0 h VAL 93 Cb 0.97 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2kb0 h VAL 93 CO -0.14 0.25 -2.02 1.17 0.02 0.00 0.00 177.57 176.86 2kb0 n LYS 94 N -4.35 0.67 -0.04 1.57 4.81 0.04 -2.49 118.16 118.36 2kb0 n LYS 94 Ca 0.08 0.20 -0.07 0.00 -0.87 0.00 0.00 58.31 57.64 2kb0 n LYS 94 Cb 0.10 -1.68 0.11 0.00 0.02 0.00 0.00 35.03 33.57 2kb0 n LYS 94 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kb0 h GLU 95 N 0.01 0.66 0.00 1.64 4.39 -0.18 -3.30 114.58 117.79 2kb0 h GLU 95 Ca -0.41 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 58.88 2kb0 h GLU 95 Cb 2.07 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.69 2kb0 h GLU 95 CO 0.05 0.88 -1.26 1.17 -1.16 0.00 0.00 179.01 178.69 2kb0 n LYS 96 N -4.08 0.18 0.16 2.33 4.81 -0.84 -4.64 118.16 116.09 2kb0 n LYS 96 Ca -0.01 0.08 0.01 0.00 -0.87 0.00 0.00 58.31 57.53 2kb0 n LYS 96 Cb 0.47 -0.81 0.33 0.00 0.02 0.00 0.00 35.03 35.04 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2kb0 h TRP 97 N -0.32 0.08 0.04 5.64 4.06 -1.57 -1.97 115.95 121.91 2kb0 h TRP 97 Ca -0.18 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.75 2kb0 h TRP 97 Cb 1.02 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2kb0 h TRP 97 CO -0.05 0.43 -0.02 0.28 -3.56 0.00 0.00 178.44 175.52 2kb0 h VAL 98 N 0.06 1.34 -0.03 1.49 2.07 -1.57 -3.09 116.25 116.53 2kb0 h VAL 98 Ca 0.01 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 2kb0 h VAL 98 Cb 0.67 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2kb0 h VAL 98 CO 0.05 0.34 -0.18 1.55 0.02 0.00 0.00 177.57 179.35 2kb0 h PRO 99 N -0.68 0.18 -1.00 1.57 0.13 -1.72 -3.29 132.00 127.18 2kb0 h PRO 99 Ca -0.01 -0.15 0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2kb0 h PRO 99 Cb 0.60 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 2kb0 h PRO 99 CO 0.01 0.82 0.65 1.49 -0.23 0.00 0.00 178.00 180.74 2kb0 h GLU 100 N -0.41 1.19 0.00 0.86 4.57 -1.52 -1.08 114.58 118.19 2kb0 h GLU 100 Ca -0.01 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2kb0 h GLU 100 Cb 0.85 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2kb0 h GLU 100 CO 0.04 0.79 -0.10 0.97 -1.18 0.00 0.00 179.01 179.53 2kb0 h ILE 101 N 1.23 0.52 -0.98 2.32 6.09 -1.63 -2.71 117.51 122.36 2kb0 h ILE 101 Ca 0.41 -0.44 0.06 0.00 -1.37 0.00 0.00 64.86 63.52 2kb0 h ILE 101 Cb 0.07 1.29 -0.06 0.00 0.47 0.00 0.00 36.82 38.59 2kb0 h ILE 101 CO -0.15 0.09 0.64 0.74 -3.07 0.00 0.00 178.15 176.40 2kb0 h THR 102 N 0.00 1.11 -0.73 2.19 2.02 -1.25 -1.65 112.91 114.59 2kb0 h THR 102 Ca -0.00 -0.40 0.18 0.00 0.77 0.00 0.00 66.41 66.95 2kb0 h THR 102 Cb 0.28 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.49 2kb0 h THR 102 CO 0.01 0.21 0.50 0.45 0.37 0.00 0.00 175.52 177.07 2kb0 h HIS 103 N 1.17 0.28 -0.12 3.16 3.86 -1.59 0.37 115.15 122.28 2kb0 h HIS 103 Ca 0.41 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2kb0 h HIS 103 Cb 0.12 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2kb0 h HIS 103 CO -0.00 0.10 0.00 0.72 0.86 0.00 0.00 177.93 179.61 2kb0 n HIS 104 N -4.42 0.16 -3.24 2.45 -0.00 -0.62 -4.93 115.22 104.62 2kb0 n HIS 104 Ca 0.14 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.72 57.72 2kb0 n HIS 104 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb0 n PRO 106 N -2.01 1.76 0.00 0.00 -0.02 -1.26 -4.76 135.00 128.71 2kb0 n PRO 106 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2kb0 n PRO 106 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2kb0 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kb0 n LYS 107 N 3.69 0.00 -1.24 -0.52 5.02 -1.26 -5.11 118.16 118.74 2kb0 n LYS 107 Ca 0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 2kb0 n LYS 107 Cb 0.25 -0.21 0.11 0.00 -0.02 0.00 0.00 35.03 35.16 2kb0 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kb0 s THR 108 N -1.00 2.35 0.28 -0.18 -4.23 -1.26 -4.90 115.64 106.70 2kb0 s THR 108 Ca 0.00 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 2kb0 s THR 108 Cb 0.00 -2.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.14 2kb0 s THR 108 CO 0.00 -0.11 1.48 -0.81 -0.54 0.00 0.00 174.62 174.64 2kb0 n PRO 109 N -3.17 2.37 -5.04 3.99 -0.04 -1.26 -5.01 135.00 126.84 2kb0 n PRO 109 Ca 0.13 0.84 -0.32 0.00 -0.04 0.00 0.00 63.50 64.11 2kb0 n PRO 109 Cb 0.51 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 31.27 2kb0 n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kb0 s PHE 110 N -0.19 2.58 -0.15 0.54 0.08 -1.26 -3.91 117.98 115.67 2kb0 s PHE 110 Ca 0.64 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.31 2kb0 s PHE 110 Cb -0.56 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2kb0 s PHE 110 CO 0.51 0.01 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.29 2kb0 s LEU 111 N -0.45 2.36 -0.27 -0.37 2.96 -1.02 -3.94 118.68 117.95 2kb0 s LEU 111 Ca 0.05 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2kb0 s LEU 111 Cb -0.12 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2kb0 s LEU 111 CO 0.01 0.07 0.16 -0.76 -1.32 0.00 0.00 176.35 174.52 2kb0 s LEU 112 N 0.87 3.88 -0.08 -0.68 1.43 -1.16 -2.67 118.68 120.28 2kb0 s LEU 112 Ca -0.05 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2kb0 s LEU 112 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2kb0 s LEU 112 CO -0.02 -0.04 -0.10 -0.69 0.23 0.00 0.00 176.35 175.74 2kb0 s VAL 113 N 1.67 3.44 -0.19 -1.59 1.01 -0.93 -0.73 120.40 123.07 2kb0 s VAL 113 Ca 0.07 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2kb0 s VAL 113 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2kb0 s VAL 113 CO 0.09 0.58 0.08 -0.83 0.00 0.00 0.00 175.10 175.01 2kb0 s GLY 114 N -0.50 1.93 0.23 4.51 0.00 -0.14 -3.83 107.32 109.51 2kb0 s GLY 114 Ca 0.07 -0.76 0.11 0.00 0.00 0.00 0.00 44.72 44.14 2kb0 s GLY 114 CO 0.02 0.11 -0.17 -1.08 0.00 0.00 0.00 173.10 171.98 2kb0 s THR 115 N 0.46 2.68 -1.33 0.90 -1.32 -1.14 0.96 115.64 116.85 2kb0 s THR 115 Ca 0.04 -2.08 -0.07 0.00 -1.21 0.00 0.00 61.69 58.37 2kb0 s THR 115 Cb -0.12 -2.35 0.01 0.00 -1.51 0.00 0.00 72.50 68.52 2kb0 s THR 115 CO 0.00 -0.24 0.93 0.00 -2.21 0.00 0.00 174.62 173.10 2kb0 n GLN 116 N -0.22 -6.53 0.00 7.08 6.02 -1.20 -3.95 117.38 118.57 2kb0 n GLN 116 Ca -0.09 0.80 0.09 0.00 -0.01 0.00 0.00 57.00 57.80 2kb0 n GLN 116 Cb 0.58 -5.64 0.51 0.00 1.02 0.00 0.00 30.24 26.70 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kb0 n ILE 117 N -4.72 0.29 0.12 5.09 -5.35 -1.25 -2.25 119.36 111.28 2kb0 n ILE 117 Ca -0.03 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.60 2kb0 n ILE 117 Cb 0.58 -0.76 0.03 0.00 -1.74 0.00 0.00 39.64 37.74 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kb0 h ASP 118 N 0.00 0.00 -0.43 7.28 3.32 -1.90 -3.30 116.42 121.40 2kb0 h ASP 118 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2kb0 h ASP 118 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2kb0 h ASP 118 CO 0.00 0.21 0.29 0.25 -1.72 0.00 0.00 179.24 178.27 2kb0 h LEU 119 N 0.00 0.30 -2.48 1.55 5.85 -1.84 0.20 115.31 118.90 2kb0 h LEU 119 Ca -0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kb0 h LEU 119 Cb 1.19 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2kb0 h LEU 119 CO 0.02 0.20 0.01 -0.09 -0.34 0.00 0.00 178.44 178.24 2kb0 h ARG 120 N 0.35 0.00 -0.12 1.25 2.43 -1.76 0.21 114.38 116.74 2kb0 h ARG 120 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2kb0 h ARG 120 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kb0 h ARG 120 CO -0.04 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 174.95 2kb0 n ASP 121 N -3.83 0.75 -3.97 -3.80 2.03 0.71 -4.44 116.55 104.00 2kb0 n ASP 121 Ca -0.03 -1.86 -0.31 0.00 0.52 0.00 0.00 54.79 53.12 2kb0 n ASP 121 Cb 0.09 -0.08 -0.12 0.00 -0.72 0.00 0.00 41.12 40.29 2kb0 n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb0 s ASP 122 N -1.18 4.82 0.62 1.67 2.15 0.74 -4.94 116.67 120.55 2kb0 s ASP 122 Ca 0.16 -3.39 0.28 0.00 0.43 0.00 0.00 52.55 50.03 2kb0 s ASP 122 Cb 0.08 -1.70 1.45 0.00 -0.30 0.00 0.00 42.92 42.45 2kb0 s ASP 122 CO 0.12 -0.19 1.85 -0.65 -0.17 0.00 0.00 175.17 176.13 2kb0 h PRO 123 N 6.10 0.00 -0.15 4.34 0.11 -1.80 -0.79 132.00 139.80 2kb0 h PRO 123 Ca 0.04 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.19 2kb0 h PRO 123 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2kb0 h PRO 123 CO 0.72 0.00 0.11 0.66 -0.21 0.00 0.00 178.00 179.28 2kb0 h SER 124 N 0.00 0.00 0.00 -2.05 4.64 -1.93 -1.55 113.55 112.66 2kb0 h SER 124 Ca 0.15 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 2kb0 h SER 124 Cb 1.11 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2kb0 h SER 124 CO -0.00 0.00 -0.05 0.74 -0.87 0.00 0.00 176.83 176.65 2kb0 h THR 125 N 0.00 1.27 -0.02 2.95 2.02 -1.47 -3.27 112.91 114.38 2kb0 h THR 125 Ca 0.07 -1.97 0.01 0.00 0.77 0.00 0.00 66.41 65.29 2kb0 h THR 125 Cb 0.28 2.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2kb0 h THR 125 CO -0.00 0.43 0.18 0.16 0.37 0.00 0.00 175.52 176.66 2kb0 h ILE 126 N -1.00 0.06 0.03 3.11 3.07 -1.60 -1.01 117.51 120.17 2kb0 h ILE 126 Ca -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 2kb0 h ILE 126 Cb 0.74 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2kb0 h ILE 126 CO -0.01 0.00 -0.02 -0.08 -1.05 0.00 0.00 178.15 177.00 2kb0 h GLU 127 N 0.00 -0.04 -0.44 0.16 4.81 -1.33 -0.53 114.58 117.21 2kb0 h GLU 127 Ca 0.01 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2kb0 h GLU 127 Cb 0.37 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2kb0 h GLU 127 CO -0.00 0.13 0.30 -0.22 -0.73 0.00 0.00 179.01 178.50 2kb0 h LYS 128 N -0.21 0.14 -0.03 1.92 3.64 -1.29 0.12 116.57 120.86 2kb0 h LYS 128 Ca -0.00 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 2kb0 h LYS 128 Cb 0.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kb0 h LYS 128 CO 0.01 0.09 -0.87 -0.07 -2.27 0.00 0.00 179.45 176.34 2kb0 h LEU 129 N 0.15 0.56 -1.12 5.20 3.38 -1.36 -3.20 115.31 118.91 2kb0 h LEU 129 Ca 0.20 -0.42 0.20 0.00 0.09 0.00 0.00 57.88 57.95 2kb0 h LEU 129 Cb 0.62 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 2kb0 h LEU 129 CO -0.03 1.21 0.62 0.00 0.09 0.00 0.00 178.44 180.32 2kb0 h ALA 130 N 0.77 1.82 -0.65 1.53 0.00 0.66 0.36 119.26 123.74 2kb0 h ALA 130 Ca -0.07 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kb0 h ALA 130 Cb 1.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2kb0 h ALA 130 CO 0.15 -0.19 0.43 -0.22 0.00 0.00 0.00 179.25 179.43 2kb0 h LYS 131 N 0.67 0.82 -0.13 0.00 3.64 -1.53 0.13 116.57 120.16 2kb0 h LYS 131 Ca 0.57 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2kb0 h LYS 131 Cb 1.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2kb0 h LYS 131 CO -0.34 0.54 0.00 0.09 -2.27 0.00 0.00 179.45 177.47 2kb0 n ASN 132 N -4.44 0.79 -3.10 4.20 3.02 0.12 -4.87 115.26 110.98 2kb0 n ASN 132 Ca 0.07 -1.85 -0.22 0.00 -0.03 0.00 0.00 54.58 52.54 2kb0 n ASN 132 Cb 0.06 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2kb0 n LYS 133 N -0.13 -4.22 -4.04 3.52 4.76 0.44 -4.95 118.16 113.54 2kb0 n LYS 133 Ca 0.08 0.75 -0.28 0.00 -2.87 0.00 0.00 58.31 56.00 2kb0 n LYS 133 Cb 0.15 -5.55 -0.17 0.00 -1.84 0.00 0.00 35.03 27.62 2kb0 n LYS 133 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2kb0 s GLN 134 N -5.77 1.86 0.31 1.97 0.74 -1.11 -5.03 119.66 112.64 2kb0 s GLN 134 Ca 0.32 -0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.30 2kb0 s GLN 134 Cb -0.15 -1.78 -0.04 0.00 1.10 0.00 0.00 33.01 32.14 2kb0 s GLN 134 CO 0.39 -0.22 0.56 0.15 -0.55 0.00 0.00 175.29 175.62 2kb0 s LYS 135 N 1.50 3.58 0.85 1.67 1.02 -1.26 -4.17 119.74 122.93 2kb0 s LYS 135 Ca 0.03 -0.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.82 2kb0 s LYS 135 Cb -0.13 -2.64 0.11 0.00 -0.52 0.00 0.00 37.83 34.64 2kb0 s LYS 135 CO -0.08 0.18 1.12 -1.25 -0.92 0.00 0.00 175.35 174.40 2kb0 s PRO 136 N -3.83 1.57 -0.21 -1.68 0.04 -1.26 -4.85 135.00 124.78 2kb0 s PRO 136 Ca 0.43 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2kb0 s PRO 136 Cb -0.10 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2kb0 s PRO 136 CO 0.33 -2.18 0.26 0.42 0.04 0.00 0.00 177.00 175.87 2kb0 s ILE 137 N -2.78 5.30 0.56 0.56 -1.09 -1.22 -5.04 121.20 117.49 2kb0 s ILE 137 Ca 0.64 0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 59.33 2kb0 s ILE 137 Cb -0.20 -3.60 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2kb0 s ILE 137 CO 0.57 0.32 1.01 0.42 -1.23 0.00 0.00 174.94 176.04 2kb0 s THR 138 N 1.04 4.36 0.41 2.92 -4.23 -1.26 -4.50 115.64 114.37 2kb0 s THR 138 Ca 0.13 1.05 0.10 0.00 -1.18 0.00 0.00 61.69 61.79 2kb0 s THR 138 Cb -0.14 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.36 2kb0 s THR 138 CO 0.05 -0.73 1.99 1.55 -0.54 0.00 0.00 174.62 176.94 2kb0 h PRO 139 N 0.52 0.52 -0.74 3.99 0.13 -1.98 -1.11 132.00 133.33 2kb0 h PRO 139 Ca -0.46 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2kb0 h PRO 139 Cb 1.20 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2kb0 h PRO 139 CO 0.60 0.34 0.49 1.49 -0.23 0.00 0.00 178.00 180.70 2kb0 h GLU 140 N 0.53 0.93 -0.15 0.86 4.81 -1.99 0.19 114.58 119.76 2kb0 h GLU 140 Ca 0.26 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2kb0 h GLU 140 Cb 0.34 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2kb0 h GLU 140 CO -0.08 0.62 -0.30 1.15 -0.73 0.00 0.00 179.01 179.67 2kb0 h THR 141 N 0.96 1.27 -0.06 0.32 2.02 -1.57 -2.81 112.91 113.04 2kb0 h THR 141 Ca 0.28 -1.28 -0.25 0.00 0.77 0.00 0.00 66.41 65.94 2kb0 h THR 141 Cb -0.04 1.49 0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2kb0 h THR 141 CO -0.07 0.39 -0.94 0.00 0.37 0.00 0.00 175.52 175.27 2kb0 h ALA 142 N 1.43 0.21 -0.28 6.16 0.00 -0.87 -3.17 119.26 122.74 2kb0 h ALA 142 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.30 2kb0 h ALA 142 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kb0 h ALA 142 CO 0.05 0.69 0.19 1.49 0.00 0.00 0.00 179.25 181.67 2kb0 h GLU 143 N 0.44 0.30 -0.79 0.00 4.81 -0.51 -1.44 114.58 117.40 2kb0 h GLU 143 Ca -0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2kb0 h GLU 143 Cb 1.58 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 2kb0 h GLU 143 CO 0.19 0.20 0.40 -0.22 -0.73 0.00 0.00 179.01 178.85 2kb0 h LYS 144 N 0.31 1.11 -0.37 1.92 3.64 -1.47 -2.10 116.57 119.60 2kb0 h LYS 144 Ca 0.11 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2kb0 h LYS 144 Cb 0.07 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2kb0 h LYS 144 CO -0.02 0.83 0.05 -0.07 -2.27 0.00 0.00 179.45 177.97 2kb0 h LEU 145 N 1.11 0.51 -0.36 5.20 3.38 -1.34 0.00 115.31 123.82 2kb0 h LEU 145 Ca 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2kb0 h LEU 145 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2kb0 h LEU 145 CO -0.04 0.55 0.09 0.00 0.09 0.00 0.00 178.44 179.13 2kb0 h ALA 146 N 1.52 0.47 -0.19 1.53 0.00 -1.30 -2.18 119.26 119.11 2kb0 h ALA 146 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kb0 h ALA 146 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kb0 h ALA 146 CO 0.00 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.94 2kb0 n ARG 147 N -4.60 1.51 0.10 0.00 1.74 -0.97 -2.13 116.66 112.31 2kb0 n ARG 147 Ca -0.01 -0.78 0.03 0.00 -0.77 0.00 0.00 57.85 56.32 2kb0 n ARG 147 Cb 0.20 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2kb0 h ASP 148 N 1.34 0.00 0.00 0.55 3.32 -0.32 -3.46 116.42 117.85 2kb0 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kb0 h ASP 148 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2kb0 h ASP 148 CO 0.00 0.46 0.00 0.18 -1.72 0.00 0.00 179.24 178.16 2kb0 n LEU 149 N -3.06 0.00 -2.75 1.55 4.77 -1.23 -5.05 117.00 111.23 2kb0 n LEU 149 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2kb0 n LEU 149 Cb 0.74 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2kb0 n LEU 149 CO 0.41 0.00 0.13 0.29 -1.33 0.00 0.00 177.39 176.89 2kb0 n LYS 150 N 0.00 1.45 -2.22 3.23 5.02 -1.26 -5.11 118.16 119.28 2kb0 n LYS 150 Ca 0.00 -2.85 -0.40 0.00 -2.02 0.00 0.00 58.31 53.04 2kb0 n LYS 150 Cb 0.00 -0.98 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 s ALA 151 N -2.50 3.33 -0.03 7.82 0.00 -0.91 -4.97 121.76 124.51 2kb0 s ALA 151 Ca 0.23 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 2kb0 s ALA 151 Cb 0.39 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2kb0 s ALA 151 CO -0.04 -0.56 0.30 0.28 0.00 0.00 0.00 175.76 175.74 2kb0 h VAL 152 N 2.72 0.00 -3.90 0.00 2.07 -1.89 -3.46 116.25 111.80 2kb0 h VAL 152 Ca -0.49 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 2kb0 h VAL 152 Cb 1.23 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.86 2kb0 h VAL 152 CO 0.64 0.00 -0.43 -0.54 0.02 0.00 0.00 177.57 177.27 2kb0 s LYS 153 N -1.97 0.82 0.07 1.57 1.02 -1.25 -5.10 119.74 114.90 2kb0 s LYS 153 Ca -0.02 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 54.99 2kb0 s LYS 153 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2kb0 s LYS 153 CO 0.06 -0.25 -0.13 1.52 -0.92 0.00 0.00 175.35 175.63 2kb0 s TYR 154 N -3.88 1.16 0.03 3.18 1.13 -1.26 -2.98 117.35 114.73 2kb0 s TYR 154 Ca 0.06 -0.48 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 2kb0 s TYR 154 Cb 0.05 -0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 40.25 2kb0 s TYR 154 CO -0.10 0.04 0.06 0.14 -2.51 0.00 0.00 175.55 173.18 2kb0 s VAL 155 N -1.39 0.14 -0.12 -3.49 -7.23 0.09 -4.95 120.40 103.44 2kb0 s VAL 155 Ca -0.02 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2kb0 s VAL 155 Cb -0.09 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2kb0 s VAL 155 CO 0.02 -0.61 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.53 2kb0 s GLU 156 N -2.44 3.31 -0.01 4.82 2.02 -1.26 -0.97 118.70 124.17 2kb0 s GLU 156 Ca -0.07 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.42 2kb0 s GLU 156 Cb -0.02 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2kb0 s GLU 156 CO -0.04 0.41 -0.10 0.00 0.02 0.00 0.00 175.26 175.55 2kb0 s SER 158 N -0.26 5.61 0.21 0.00 0.15 -1.24 -3.28 113.70 114.89 2kb0 s SER 158 Ca 0.04 -1.45 -0.00 0.00 0.70 0.00 0.00 55.95 55.24 2kb0 s SER 158 Cb -0.04 -1.98 0.17 0.00 -1.71 0.00 0.00 66.02 62.46 2kb0 s SER 158 CO -0.00 -0.51 1.52 0.00 1.20 0.00 0.00 173.24 175.45 2kb0 h ALA 159 N 8.38 0.75 -0.92 5.45 0.00 -1.90 0.29 119.26 131.32 2kb0 h ALA 159 Ca -0.23 -0.53 0.26 0.00 0.00 0.00 0.00 54.91 54.41 2kb0 h ALA 159 Cb 1.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2kb0 h ALA 159 CO 0.74 0.70 0.65 1.25 0.00 0.00 0.00 179.25 182.59 2kb0 h LEU 160 N 0.32 0.08 -9.13 0.00 5.85 -1.93 -3.40 115.31 107.09 2kb0 h LEU 160 Ca -0.00 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 58.20 2kb0 h LEU 160 Cb 1.11 -0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.99 2kb0 h LEU 160 CO 0.10 0.03 -0.71 0.42 -0.34 0.00 0.00 178.44 177.94 2kb0 s THR 161 N -5.06 1.94 -1.77 1.05 -4.23 -1.07 -4.85 115.64 101.65 2kb0 s THR 161 Ca -0.06 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 2kb0 s THR 161 Cb 0.22 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2kb0 s THR 161 CO 0.78 -0.39 0.36 0.00 -0.54 0.00 0.00 174.62 174.83 2kb0 n GLN 162 N -0.57 0.40 -0.04 3.99 6.02 -1.26 -2.62 117.38 123.31 2kb0 n GLN 162 Ca -0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.05 2kb0 n GLN 162 Cb 0.62 -1.05 0.50 0.00 1.02 0.00 0.00 30.24 31.33 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kb0 n LYS 163 N -0.32 1.58 -0.11 -1.09 5.02 -1.23 -3.35 118.16 118.66 2kb0 n LYS 163 Ca 0.00 -0.85 -0.22 0.00 -2.02 0.00 0.00 58.31 55.22 2kb0 n LYS 163 Cb 0.02 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.11 -0.71 0.25 0.72 0.00 0.07 -3.63 105.19 102.99 2kb0 n GLY 164 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -1.00 0.94 -1.88 0.99 3.38 -1.81 -2.97 115.31 112.96 2kb0 h LEU 165 Ca -0.41 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 2kb0 h LEU 165 Cb 1.31 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kb0 h LEU 165 CO -0.25 1.25 -0.06 0.11 0.09 0.00 0.00 178.44 179.58 2kb0 h LYS 166 N 0.65 0.00 0.04 1.13 1.57 -1.77 0.34 116.57 118.53 2kb0 h LYS 166 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2kb0 h LYS 166 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2kb0 h LYS 166 CO 0.10 0.06 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.05 2kb0 h ASN 167 N 0.00 -0.05 0.43 0.86 -0.73 -1.61 -3.16 115.58 111.32 2kb0 h ASN 167 Ca -0.00 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2kb0 h ASN 167 Cb 0.11 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.71 2kb0 h ASN 167 CO 0.01 0.53 -0.01 1.33 -0.37 0.00 0.00 177.43 178.92 2kb0 n VAL 168 N -4.84 0.00 -0.03 2.57 0.24 -1.05 -3.79 118.33 111.43 2kb0 n VAL 168 Ca -0.09 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 2kb0 n VAL 168 Cb 0.29 -0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 32.08 2kb0 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2kb0 h PHE 169 N 0.05 -0.01 -0.63 6.34 3.57 -0.28 -2.02 116.94 123.96 2kb0 h PHE 169 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2kb0 h PHE 169 Cb 0.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2kb0 h PHE 169 CO 0.00 0.67 0.27 -0.44 -2.23 0.00 0.00 178.31 176.58 2kb0 h ASP 170 N -0.70 0.85 -0.11 0.41 3.32 -1.65 -2.58 116.42 115.96 2kb0 h ASP 170 Ca -0.00 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 2kb0 h ASP 170 Cb 0.68 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2kb0 h ASP 170 CO 0.00 0.77 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.79 2kb0 h GLU 171 N 0.87 0.51 -0.22 3.56 4.39 -1.68 -2.74 114.58 119.26 2kb0 h GLU 171 Ca 0.21 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2kb0 h GLU 171 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2kb0 h GLU 171 CO -0.02 0.67 -0.06 0.00 -1.16 0.00 0.00 179.01 178.43 2kb0 h ALA 172 N 1.35 1.49 -0.40 3.43 0.00 -0.96 -2.81 119.26 121.37 2kb0 h ALA 172 Ca 0.08 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2kb0 h ALA 172 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kb0 h ALA 172 CO 0.04 0.37 -0.22 0.82 0.00 0.00 0.00 179.25 180.25 2kb0 h ILE 173 N 0.33 1.28 -0.85 0.00 2.04 -1.26 -3.06 117.51 115.98 2kb0 h ILE 173 Ca 0.07 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.61 2kb0 h ILE 173 Cb 0.33 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2kb0 h ILE 173 CO 0.01 0.46 0.54 -0.07 0.00 0.00 0.00 178.15 179.09 2kb0 h LEU 174 N 0.66 0.87 -1.28 1.44 3.38 -1.47 -1.54 115.31 117.37 2kb0 h LEU 174 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2kb0 h LEU 174 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2kb0 h LEU 174 CO 0.06 0.57 0.01 0.00 0.09 0.00 0.00 178.44 179.17 2kb0 h ALA 175 N 1.38 1.41 -0.52 1.53 0.00 -1.47 -2.77 119.26 118.82 2kb0 h ALA 175 Ca 0.36 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2kb0 h ALA 175 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2kb0 h ALA 175 CO -0.15 0.41 0.31 0.00 0.00 0.00 0.00 179.25 179.82 2kb0 h ALA 176 N 1.54 0.67 -0.52 0.00 0.00 -1.18 -2.03 119.26 117.74 2kb0 h ALA 176 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2kb0 h ALA 176 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kb0 h ALA 176 CO 0.01 0.01 0.02 -0.07 0.00 0.00 0.00 179.25 179.21 2kb0 h LEU 177 N 0.61 0.83 0.00 0.00 3.38 -1.42 -3.52 115.31 115.18 2kb0 h LEU 177 Ca 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kb0 h LEU 177 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kb0 h LEU 177 CO -0.10 0.88 0.00 -0.62 0.09 0.00 0.00 178.44 178.69