#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ngr s GLN 2 N 0.00 2.37 -0.00 2.12 -0.21 -1.16 -5.00 119.66 117.78 2ngr s GLN 2 Ca 0.00 -1.29 0.02 0.00 0.02 0.00 0.00 55.36 54.10 2ngr s GLN 2 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 2ngr s GLN 2 CO 0.00 0.40 -0.01 0.99 -2.12 0.00 0.00 175.29 174.54 2ngr s THR 3 N -2.11 4.07 -0.29 -0.19 2.01 -1.26 -1.38 115.64 116.48 2ngr s THR 3 Ca 0.30 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2ngr s THR 3 Cb -0.07 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.70 2ngr s THR 3 CO 0.20 0.39 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 2ngr s ILE 4 N -1.06 2.35 -0.19 1.82 1.01 -0.25 -4.92 121.20 119.95 2ngr s ILE 4 Ca 0.19 -1.80 -0.20 0.00 0.00 0.00 0.00 60.65 58.83 2ngr s ILE 4 Cb -0.11 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2ngr s ILE 4 CO 0.09 -0.21 0.60 -0.75 0.00 0.00 0.00 174.94 174.68 2ngr s LYS 5 N 1.07 4.21 -0.16 2.79 2.20 -1.26 -0.51 119.74 128.08 2ngr s LYS 5 Ca -0.03 0.57 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2ngr s LYS 5 Cb -0.20 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2ngr s LYS 5 CO -0.05 -0.21 -0.15 0.00 -0.36 0.00 0.00 175.35 174.58 2ngr s VAL 7 N 1.44 3.90 -0.26 0.00 1.01 -0.90 -0.48 120.40 125.11 2ngr s VAL 7 Ca 0.04 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2ngr s VAL 7 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2ngr s VAL 7 CO -0.11 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 174.98 2ngr s VAL 8 N 0.06 5.08 0.14 2.92 1.01 -0.21 -0.67 120.40 128.72 2ngr s VAL 8 Ca -0.00 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2ngr s VAL 8 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2ngr s VAL 8 CO 0.03 0.29 -0.16 0.68 0.00 0.00 0.00 175.10 175.94 2ngr s VAL 9 N 1.55 1.54 0.00 2.92 -7.23 0.42 -3.64 120.40 115.96 2ngr s VAL 9 Ca 0.07 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2ngr s VAL 9 Cb -0.15 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2ngr s VAL 9 CO 0.08 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2ngr n GLY 10 N 0.43 2.70 3.66 2.32 0.00 -1.26 0.17 105.19 113.20 2ngr n GLY 10 Ca -0.14 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2ngr n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ngr n ASP 11 N 0.00 0.51 -4.74 1.61 8.00 -1.26 -4.00 116.55 116.67 2ngr n ASP 11 Ca 0.00 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.63 2ngr n ASP 11 Cb 0.00 -1.47 0.03 0.00 -0.02 0.00 0.00 41.12 39.67 2ngr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ngr n GLY 12 N 0.59 0.80 2.66 0.44 0.00 -1.26 -2.77 105.19 105.65 2ngr n GLY 12 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2ngr n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ngr n ALA 13 N -0.77 -0.01 0.32 4.61 0.00 -1.26 -4.88 120.51 118.52 2ngr n ALA 13 Ca 0.09 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2ngr n ALA 13 Cb 0.43 -1.03 0.43 0.00 0.00 0.00 0.00 19.45 19.28 2ngr n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2ngr h VAL 14 N 0.00 0.00 0.00 0.00 -1.51 -1.88 -3.47 116.25 109.38 2ngr h VAL 14 Ca -0.01 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2ngr h VAL 14 Cb 0.68 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2ngr h VAL 14 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2ngr n GLY 15 N 0.61 1.79 0.07 5.19 0.00 -1.26 -4.50 105.19 107.08 2ngr n GLY 15 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2ngr n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ngr h LYS 16 N 0.00 0.08 -0.15 1.61 1.57 -1.91 -1.06 116.57 116.71 2ngr h LYS 16 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ngr h LYS 16 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2ngr h LYS 16 CO 0.00 0.27 0.06 1.15 -0.57 0.00 0.00 179.45 180.36 2ngr h THR 17 N -0.13 1.15 -0.39 -0.16 2.02 -1.96 -2.22 112.91 111.22 2ngr h THR 17 Ca 0.02 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 2ngr h THR 17 Cb 0.22 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2ngr h THR 17 CO -0.00 0.14 0.23 0.00 0.37 0.00 0.00 175.52 176.25 2ngr h LEU 19 N 0.54 0.38 0.03 0.00 5.85 -0.89 -0.79 115.31 120.43 2ngr h LEU 19 Ca 0.14 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ngr h LEU 19 Cb -0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2ngr h LEU 19 CO -0.03 0.35 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.34 2ngr h LEU 20 N 0.38 -0.03 -1.00 2.25 3.38 -0.66 -2.37 115.31 117.26 2ngr h LEU 20 Ca 0.11 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2ngr h LEU 20 Cb 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2ngr h LEU 20 CO -0.02 0.50 0.20 0.40 0.09 0.00 0.00 178.44 179.62 2ngr h ILE 21 N -0.58 1.23 -0.30 1.22 2.04 -0.78 -1.18 117.51 119.16 2ngr h ILE 21 Ca -0.00 -0.78 -0.15 0.00 1.00 0.00 0.00 64.86 64.93 2ngr h ILE 21 Cb 0.54 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2ngr h ILE 21 CO 0.01 0.30 -0.41 -1.28 0.00 0.00 0.00 178.15 176.77 2ngr h SER 22 N 0.90 0.77 -0.24 1.72 0.87 -1.18 -0.02 113.55 116.37 2ngr h SER 22 Ca 0.20 -0.35 -0.20 0.00 -1.23 0.00 0.00 61.79 60.22 2ngr h SER 22 Cb 0.24 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2ngr h SER 22 CO -0.01 1.08 -0.63 0.22 -0.53 0.00 0.00 176.83 176.96 2ngr h TYR 23 N 0.59 1.10 0.03 2.24 3.20 -1.18 -0.40 116.97 122.54 2ngr h TYR 23 Ca 0.05 -0.43 -0.26 0.00 3.14 0.00 0.00 58.73 61.23 2ngr h TYR 23 Cb 0.95 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 2ngr h TYR 23 CO 0.05 1.26 -1.40 1.79 -1.64 0.00 0.00 178.16 178.22 2ngr h THR 24 N 0.62 1.25 0.00 1.81 1.35 -1.21 -3.39 112.91 113.34 2ngr h THR 24 Ca -0.01 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.85 2ngr h THR 24 Cb 1.25 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2ngr h THR 24 CO 0.14 0.76 -0.78 0.35 -0.25 0.00 0.00 175.52 175.74 2ngr n THR 25 N -3.26 0.00 -2.33 6.82 -2.24 -0.02 -5.00 114.28 108.24 2ngr n THR 25 Ca -0.10 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 2ngr n THR 25 Cb 1.01 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.96 2ngr n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ngr n ASN 26 N -1.43 -4.77 -3.96 3.42 3.02 -0.16 -5.01 115.26 106.37 2ngr n ASN 26 Ca 0.00 -0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.34 2ngr n ASN 26 Cb 0.17 -3.88 -0.15 0.00 -0.61 0.00 0.00 39.78 35.30 2ngr n ASN 26 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ngr s LYS 27 N -4.83 0.80 -0.10 3.52 1.02 -1.25 -5.03 119.74 113.86 2ngr s LYS 27 Ca 0.01 -0.22 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 2ngr s LYS 27 Cb -0.01 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 2ngr s LYS 27 CO 0.02 0.06 0.51 0.12 -0.92 0.00 0.00 175.35 175.14 2ngr s PHE 28 N 0.31 3.54 0.42 3.18 5.36 -1.26 -3.53 117.98 126.00 2ngr s PHE 28 Ca -0.04 0.95 -0.26 0.00 -0.96 0.00 0.00 56.93 56.62 2ngr s PHE 28 Cb -0.09 -2.58 -0.09 0.00 -0.34 0.00 0.00 43.02 39.93 2ngr s PHE 28 CO 0.00 0.19 1.34 -2.14 -1.46 0.00 0.00 175.22 173.15 2ngr s PRO 29 N 0.54 3.89 -0.00 10.12 0.02 -1.26 -5.00 135.00 143.30 2ngr s PRO 29 Ca 0.28 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.53 2ngr s PRO 29 Cb -0.16 -2.73 -0.00 0.00 0.02 0.00 0.00 34.50 31.63 2ngr s PRO 29 CO 0.12 -0.59 0.22 0.77 -0.33 0.00 0.00 177.00 177.19 2ngr h SER 30 N 2.58 -0.01 -4.42 2.53 0.02 -2.05 -3.48 113.55 108.72 2ngr h SER 30 Ca -0.50 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 59.98 2ngr h SER 30 Cb 1.25 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.90 2ngr h SER 30 CO 0.62 0.01 0.36 -1.83 -1.14 0.00 0.00 176.83 174.85 2ngr s GLU 31 N -1.47 1.83 -0.16 3.45 1.03 -1.26 -5.08 118.70 117.04 2ngr s GLU 31 Ca -0.00 0.31 -0.02 0.00 0.03 0.00 0.00 54.97 55.28 2ngr s GLU 31 Cb 0.00 -1.92 -0.02 0.00 -0.80 0.00 0.00 34.13 31.40 2ngr s GLU 31 CO 0.01 -1.73 -0.08 -0.47 -1.33 0.00 0.00 175.26 171.66 2ngr s TYR 32 N -3.38 2.91 -0.19 4.83 5.04 -1.26 -5.09 117.35 120.21 2ngr s TYR 32 Ca 0.62 -0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 54.61 2ngr s TYR 32 Cb -0.13 -1.93 0.08 0.00 0.35 0.00 0.00 41.96 40.33 2ngr s TYR 32 CO 0.52 -0.22 0.17 0.08 -1.34 0.00 0.00 175.55 174.75 2ngr s VAL 33 N 0.57 -0.23 0.16 3.14 1.01 -1.26 -5.12 120.40 118.67 2ngr s VAL 33 Ca -0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 2ngr s VAL 33 Cb -0.15 -0.63 -0.12 0.00 0.00 0.00 0.00 36.38 35.47 2ngr s VAL 33 CO 0.03 -0.23 1.70 -0.81 0.00 0.00 0.00 175.10 175.78 2ngr n PRO 34 N 5.30 2.52 -2.76 2.72 -0.04 -1.26 -4.96 135.00 136.53 2ngr n PRO 34 Ca -0.06 0.91 -0.36 0.00 -0.04 0.00 0.00 63.50 63.95 2ngr n PRO 34 Cb 0.49 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 2ngr n PRO 34 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ngr s THR 35 N 1.48 4.19 0.00 0.52 2.01 -1.26 -5.02 115.64 117.56 2ngr s THR 35 Ca 0.78 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.43 2ngr s THR 35 Cb -0.58 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.10 2ngr s THR 35 CO 0.36 -0.02 0.00 0.52 -0.69 0.00 0.00 174.62 174.79 2ngr n VAL 36 N 0.09 0.00 -3.74 3.82 0.31 -1.26 -4.06 118.33 113.48 2ngr n VAL 36 Ca 0.04 0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 64.54 2ngr n VAL 36 Cb 0.51 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 2ngr n VAL 36 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2ngr s PHE 37 N -0.61 -0.23 -0.09 3.52 0.08 -1.26 -2.14 117.98 117.25 2ngr s PHE 37 Ca 0.00 0.38 -0.31 0.00 0.12 0.00 0.00 56.93 57.12 2ngr s PHE 37 Cb 0.00 0.12 0.12 0.00 -0.57 0.00 0.00 43.02 42.69 2ngr s PHE 37 CO 0.00 -0.39 1.00 0.34 -0.10 0.00 0.00 175.22 176.08 2ngr s ASP 38 N -1.19 -0.30 0.00 1.36 -1.08 -0.73 -4.99 116.67 109.74 2ngr s ASP 38 Ca -0.12 0.10 -0.07 0.00 -0.52 0.00 0.00 52.55 51.93 2ngr s ASP 38 Cb -0.05 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.71 2ngr s ASP 38 CO 0.04 -0.45 0.14 0.54 0.52 0.00 0.00 175.17 175.97 2ngr s ASN 39 N -2.04 0.02 0.27 -0.34 4.22 -1.26 0.96 114.94 116.76 2ngr s ASN 39 Ca 0.05 -0.20 0.09 0.00 -2.14 0.00 0.00 52.86 50.66 2ngr s ASN 39 Cb -0.01 0.21 -0.05 0.00 1.28 0.00 0.00 41.25 42.68 2ngr s ASN 39 CO -0.05 -0.37 -0.13 -0.31 -2.04 0.00 0.00 177.10 174.20 2ngr s TYR 40 N -1.37 2.04 -0.04 1.54 1.51 0.84 -4.96 117.35 116.92 2ngr s TYR 40 Ca -0.15 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 2ngr s TYR 40 Cb -0.07 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2ngr s TYR 40 CO 0.02 0.47 -0.03 0.00 -1.11 0.00 0.00 175.55 174.90 2ngr s ALA 41 N -2.80 0.52 -0.11 3.71 0.00 -1.26 -0.36 121.76 121.46 2ngr s ALA 41 Ca 0.28 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2ngr s ALA 41 Cb -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.77 2ngr s ALA 41 CO 0.12 -0.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 2ngr s VAL 42 N 0.92 1.27 -0.03 0.00 1.01 -0.31 -4.96 120.40 118.30 2ngr s VAL 42 Ca -0.11 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2ngr s VAL 42 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2ngr s VAL 42 CO -0.00 0.40 1.03 -0.89 0.00 0.00 0.00 175.10 175.64 2ngr s THR 43 N 1.34 4.71 0.13 3.92 2.01 -1.26 -0.25 115.64 126.23 2ngr s THR 43 Ca -0.01 1.96 0.05 0.00 0.31 0.00 0.00 61.69 64.00 2ngr s THR 43 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2ngr s THR 43 CO -0.06 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.17 2ngr s VAL 44 N 1.46 1.14 -0.13 3.82 1.01 0.01 -4.96 120.40 122.75 2ngr s VAL 44 Ca 0.52 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 2ngr s VAL 44 Cb -0.21 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2ngr s VAL 44 CO 0.24 -0.64 0.01 -0.04 0.00 0.00 0.00 175.10 174.67 2ngr s MET 45 N -3.32 0.67 -0.17 2.72 -1.94 -1.26 -0.86 119.30 115.14 2ngr s MET 45 Ca 0.12 -0.16 -0.00 0.00 -1.71 0.00 0.00 55.69 53.94 2ngr s MET 45 Cb -0.00 -1.55 0.00 0.00 2.01 0.00 0.00 34.83 35.29 2ngr s MET 45 CO 0.01 -0.47 -0.14 0.42 -0.01 0.00 0.00 175.02 174.83 2ngr s ILE 46 N 1.91 2.70 -1.77 2.53 1.01 -0.13 -4.62 121.20 122.82 2ngr s ILE 46 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2ngr s ILE 46 Cb -0.15 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2ngr s ILE 46 CO -0.07 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2ngr n GLY 47 N 4.30 1.18 1.06 6.18 0.00 -1.26 -0.17 105.19 116.48 2ngr n GLY 47 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ngr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ngr n GLY 48 N -0.46 0.72 3.72 -0.02 0.00 -1.26 -5.06 105.19 102.83 2ngr n GLY 48 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2ngr n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ngr s GLU 49 N -0.65 3.51 0.13 1.61 2.02 0.76 -5.08 118.70 121.00 2ngr s GLU 49 Ca 0.00 -0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 2ngr s GLU 49 Cb 0.00 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 2ngr s GLU 49 CO 0.00 0.55 1.29 -1.25 0.02 0.00 0.00 175.26 175.87 2ngr s PRO 50 N -0.43 4.39 0.03 0.39 0.04 -1.26 -0.96 135.00 137.20 2ngr s PRO 50 Ca 0.10 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2ngr s PRO 50 Cb -0.12 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2ngr s PRO 50 CO 0.02 -0.29 0.02 0.71 0.04 0.00 0.00 177.00 177.50 2ngr s TYR 51 N 0.66 0.29 -0.20 0.56 2.02 -0.04 -2.97 117.35 117.67 2ngr s TYR 51 Ca 0.59 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 2ngr s TYR 51 Cb -0.34 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.05 2ngr s TYR 51 CO 0.33 -0.29 -0.11 0.99 -1.57 0.00 0.00 175.55 174.90 2ngr s THR 52 N -2.33 1.73 -0.49 -0.71 2.01 -0.48 -0.81 115.64 114.58 2ngr s THR 52 Ca -0.08 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 2ngr s THR 52 Cb -0.03 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.71 2ngr s THR 52 CO -0.04 0.17 0.93 -0.22 -0.69 0.00 0.00 174.62 174.78 2ngr s LEU 53 N 1.35 4.02 -0.31 4.42 2.96 0.65 -1.09 118.68 130.68 2ngr s LEU 53 Ca -0.02 -0.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.70 2ngr s LEU 53 Cb -0.16 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 2ngr s LEU 53 CO -0.08 -1.10 0.60 -0.83 -1.32 0.00 0.00 176.35 173.61 2ngr s GLY 54 N 2.42 1.79 -0.37 7.98 0.00 0.33 -1.17 107.32 118.30 2ngr s GLY 54 Ca 0.35 -0.72 -0.10 0.00 0.00 0.00 0.00 44.72 44.25 2ngr s GLY 54 CO 0.25 1.40 0.20 1.08 0.00 0.00 0.00 173.10 176.02 2ngr s LEU 55 N 2.55 4.70 -0.23 0.66 1.43 0.51 -0.57 118.68 127.72 2ngr s LEU 55 Ca 0.23 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 2ngr s LEU 55 Cb -0.15 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 2ngr s LEU 55 CO 0.12 -0.39 0.18 -0.36 0.23 0.00 0.00 176.35 176.13 2ngr s PHE 56 N 1.53 3.33 -0.14 0.29 0.40 0.36 -0.11 117.98 123.63 2ngr s PHE 56 Ca 0.01 0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.54 2ngr s PHE 56 Cb -0.19 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 2ngr s PHE 56 CO 0.06 0.07 0.09 0.34 0.70 0.00 0.00 175.22 176.49 2ngr s ASP 57 N 1.02 5.97 0.31 1.36 2.15 0.27 -1.05 116.67 126.70 2ngr s ASP 57 Ca 0.09 0.27 0.06 0.00 0.43 0.00 0.00 52.55 53.40 2ngr s ASP 57 Cb -0.13 -1.95 -0.06 0.00 -0.30 0.00 0.00 42.92 40.48 2ngr s ASP 57 CO 0.04 0.30 -0.02 0.42 -0.17 0.00 0.00 175.17 175.75 2ngr s THR 58 N -0.39 1.61 -0.16 1.71 -4.23 -1.24 -1.76 115.64 111.17 2ngr s THR 58 Ca 0.10 -2.08 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 2ngr s THR 58 Cb -0.12 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 2ngr s THR 58 CO 0.02 -0.17 0.56 0.00 -0.54 0.00 0.00 174.62 174.49 2ngr s ALA 59 N -3.02 3.50 -0.76 3.99 0.00 -0.91 -4.83 121.76 119.72 2ngr s ALA 59 Ca 0.32 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.31 2ngr s ALA 59 Cb 0.06 -2.83 0.89 0.00 0.00 0.00 0.00 23.12 21.24 2ngr s ALA 59 CO 0.14 -0.31 1.79 0.41 0.00 0.00 0.00 175.76 177.79 2ngr n GLY 60 N 3.59 -1.63 3.77 0.00 0.00 -1.26 -4.82 105.19 104.84 2ngr n GLY 60 Ca -0.04 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2ngr n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ngr s GLN 61 N -3.10 3.25 0.52 1.61 1.11 -1.26 -4.02 119.66 117.76 2ngr s GLN 61 Ca 0.11 1.72 0.34 0.00 0.01 0.00 0.00 55.36 57.54 2ngr s GLN 61 Cb 0.13 -2.02 1.65 0.00 -1.01 0.00 0.00 33.01 31.76 2ngr s GLN 61 CO 0.56 -0.96 2.03 0.93 0.01 0.00 0.00 175.29 177.87 2ngr h GLU 62 N 1.17 0.00 0.00 2.91 5.08 -2.01 -2.27 114.58 119.46 2ngr h GLU 62 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2ngr h GLU 62 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2ngr h GLU 62 CO 0.57 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 178.14 2ngr h ASP 63 N 0.00 0.00 -0.23 1.42 3.32 -1.95 -2.31 116.42 116.67 2ngr h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ngr h ASP 63 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2ngr h ASP 63 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 2ngr n TYR 64 N -2.74 0.30 0.08 4.55 4.01 -0.85 -4.69 117.16 117.82 2ngr n TYR 64 Ca -0.02 -0.44 0.19 0.00 -0.16 0.00 0.00 57.90 57.47 2ngr n TYR 64 Cb 0.09 -0.03 0.73 0.00 -0.31 0.00 0.00 39.34 39.83 2ngr n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2ngr h ASP 65 N 1.51 0.00 0.71 7.72 5.19 -1.54 0.17 116.42 130.18 2ngr h ASP 65 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 2ngr h ASP 65 Cb 0.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 2ngr h ASP 65 CO 0.00 0.00 -1.18 -0.09 -3.12 0.00 0.00 179.24 174.85 2ngr h ARG 66 N 0.00 0.21 0.00 3.56 2.43 -1.84 -3.37 114.38 115.37 2ngr h ARG 66 Ca 0.19 -0.36 -0.23 0.00 -0.81 0.00 0.00 59.98 58.77 2ngr h ARG 66 Cb 0.84 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 2ngr h ARG 66 CO -0.00 1.17 -1.74 1.28 -1.51 0.00 0.00 179.97 179.17 2ngr n LEU 67 N -3.50 0.61 -0.28 3.80 4.77 -0.74 -4.54 117.00 117.13 2ngr n LEU 67 Ca -0.06 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.24 2ngr n LEU 67 Cb 1.00 0.18 0.18 0.00 -2.33 0.00 0.00 43.42 42.45 2ngr n LEU 67 CO 0.52 0.27 1.10 -0.09 -1.33 0.00 0.00 177.39 177.86 2ngr h ARG 68 N 0.00 0.63 0.00 3.23 2.43 -1.16 -2.14 114.38 117.37 2ngr h ARG 68 Ca -0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2ngr h ARG 68 Cb 1.79 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2ngr h ARG 68 CO 0.05 0.42 0.00 -2.30 -1.51 0.00 0.00 179.97 176.62 2ngr n PRO 69 N -4.84 0.12 0.00 0.20 -0.02 -1.26 -1.55 135.00 127.64 2ngr n PRO 69 Ca 0.14 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 2ngr n PRO 69 Cb 0.34 -1.86 0.39 0.00 -0.02 0.00 0.00 33.50 32.36 2ngr n PRO 69 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ngr n LEU 70 N -2.10 0.00 -0.33 2.45 4.77 -0.81 -1.82 117.00 119.16 2ngr n LEU 70 Ca -0.01 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 2ngr n LEU 70 Cb 0.06 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2ngr n LEU 70 CO 0.10 -0.16 0.24 -1.20 -1.33 0.00 0.00 177.39 175.04 2ngr n SER 71 N -1.36 1.63 0.22 -1.43 7.64 -0.60 -4.55 113.62 115.18 2ngr n SER 71 Ca 0.06 -1.29 0.13 0.00 1.01 0.00 0.00 58.87 58.78 2ngr n SER 71 Cb 0.15 0.58 0.26 0.00 -1.01 0.00 0.00 64.21 64.20 2ngr n SER 71 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2ngr h TYR 72 N 1.62 0.00 -3.05 1.43 0.05 -1.52 -3.46 116.97 112.04 2ngr h TYR 72 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 2ngr h TYR 72 Cb 0.66 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.48 2ngr h TYR 72 CO 0.00 0.00 0.80 -2.30 -1.05 0.00 0.00 178.16 175.61 2ngr n PRO 73 N -3.05 2.48 -1.05 4.88 -0.02 -1.26 -2.30 135.00 134.68 2ngr n PRO 73 Ca 0.04 0.88 -0.02 0.00 -2.02 0.00 0.00 63.50 62.38 2ngr n PRO 73 Cb 0.49 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 2ngr n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2ngr n GLN 74 N 2.19 -0.64 -2.13 -0.52 6.02 0.51 -5.00 117.38 117.80 2ngr n GLN 74 Ca 0.10 0.30 -0.42 0.00 -0.01 0.00 0.00 57.00 56.97 2ngr n GLN 74 Cb 0.35 -3.87 -0.03 0.00 1.02 0.00 0.00 30.24 27.71 2ngr n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2ngr s THR 75 N -1.79 3.09 -0.10 5.09 2.01 -0.97 -4.51 115.64 118.46 2ngr s THR 75 Ca 0.00 0.84 0.18 0.00 0.31 0.00 0.00 61.69 63.03 2ngr s THR 75 Cb 0.00 -3.54 -0.27 0.00 0.01 0.00 0.00 72.50 68.70 2ngr s THR 75 CO 0.00 0.10 0.26 0.47 -0.69 0.00 0.00 174.62 174.76 2ngr n ASP 76 N 3.25 0.41 -3.61 3.53 8.00 -0.53 -1.22 116.55 126.37 2ngr n ASP 76 Ca 0.09 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 2ngr n ASP 76 Cb 0.42 1.46 -0.07 0.00 -0.02 0.00 0.00 41.12 42.90 2ngr n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ngr s VAL 77 N -2.94 0.00 0.02 2.53 0.11 -1.04 -4.24 120.40 114.85 2ngr s VAL 77 Ca -0.08 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2ngr s VAL 77 Cb 0.09 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2ngr s VAL 77 CO 0.80 -0.01 -0.09 -0.36 -3.33 0.00 0.00 175.10 172.11 2ngr s PHE 78 N -0.15 2.82 -0.34 1.54 0.08 -0.66 -2.12 117.98 119.14 2ngr s PHE 78 Ca -0.04 -0.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.90 2ngr s PHE 78 Cb -0.03 -1.57 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 2ngr s PHE 78 CO 0.04 0.35 0.09 -0.51 -0.10 0.00 0.00 175.22 175.09 2ngr s LEU 79 N -1.48 4.44 -0.45 -0.37 1.43 0.15 -1.16 118.68 121.25 2ngr s LEU 79 Ca 0.17 -1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 51.54 2ngr s LEU 79 Cb -0.11 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.36 2ngr s LEU 79 CO 0.08 -0.37 0.60 -0.69 0.23 0.00 0.00 176.35 176.20 2ngr s VAL 80 N 1.23 4.88 0.08 -1.59 1.01 -0.47 -0.44 120.40 125.11 2ngr s VAL 80 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2ngr s VAL 80 Cb -0.21 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2ngr s VAL 80 CO -0.02 -0.60 0.15 0.00 0.00 0.00 0.00 175.10 174.63 2ngr s PHE 82 N -1.49 -0.55 0.05 0.00 -0.12 -0.82 -4.17 117.98 110.87 2ngr s PHE 82 Ca 0.32 1.28 -0.30 0.00 -0.05 0.00 0.00 56.93 58.17 2ngr s PHE 82 Cb -0.12 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2ngr s PHE 82 CO 0.25 -0.34 1.03 0.45 -0.05 0.00 0.00 175.22 176.56 2ngr s SER 83 N -0.07 7.33 0.00 1.98 0.15 -1.26 -0.22 113.70 121.60 2ngr s SER 83 Ca -0.03 1.79 0.13 0.00 0.70 0.00 0.00 55.95 58.55 2ngr s SER 83 Cb -0.03 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.33 2ngr s SER 83 CO 0.02 -0.26 1.37 1.33 1.20 0.00 0.00 173.24 176.90 2ngr n VAL 84 N 3.58 0.80 -1.46 4.45 0.24 -0.46 -2.27 118.33 123.20 2ngr n VAL 84 Ca 0.06 0.20 0.01 0.00 -2.04 0.00 0.00 64.34 62.57 2ngr n VAL 84 Cb 0.49 -0.98 0.20 0.00 -1.47 0.00 0.00 33.84 32.09 2ngr n VAL 84 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2ngr n VAL 85 N -1.36 2.38 -3.33 3.34 0.24 -1.26 -0.40 118.33 117.94 2ngr n VAL 85 Ca 0.05 -2.87 -0.20 0.00 -2.04 0.00 0.00 64.34 59.28 2ngr n VAL 85 Cb 0.12 -0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.13 2ngr n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ngr s SER 86 N -2.79 1.28 0.47 -1.34 0.15 -0.96 -5.00 113.70 105.51 2ngr s SER 86 Ca 0.41 -2.08 0.20 0.00 0.70 0.00 0.00 55.95 55.18 2ngr s SER 86 Cb 0.38 0.28 1.19 0.00 -1.71 0.00 0.00 66.02 66.16 2ngr s SER 86 CO -0.02 -0.22 1.94 -0.65 1.20 0.00 0.00 173.24 175.48 2ngr h PRO 87 N 6.49 0.25 -0.33 5.44 0.11 -1.87 -1.95 132.00 140.14 2ngr h PRO 87 Ca 0.11 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.23 2ngr h PRO 87 Cb 1.01 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 2ngr h PRO 87 CO 0.23 0.17 0.14 1.03 -0.21 0.00 0.00 178.00 179.36 2ngr h SER 88 N 0.26 0.20 0.30 -2.05 0.87 -1.94 -1.68 113.55 109.50 2ngr h SER 88 Ca 0.34 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2ngr h SER 88 Cb 0.96 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2ngr h SER 88 CO -0.08 0.15 -0.35 0.77 -0.53 0.00 0.00 176.83 176.79 2ngr h SER 89 N 0.31 0.08 0.60 6.23 4.64 -1.69 -2.70 113.55 121.02 2ngr h SER 89 Ca 0.14 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 2ngr h SER 89 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2ngr h SER 89 CO -0.12 0.43 -0.63 0.15 -0.87 0.00 0.00 176.83 175.80 2ngr h PHE 90 N 0.07 0.04 -0.27 4.77 3.57 -1.27 -3.11 116.94 120.74 2ngr h PHE 90 Ca 0.01 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2ngr h PHE 90 Cb 0.66 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 2ngr h PHE 90 CO 0.00 0.65 -0.37 0.93 -2.23 0.00 0.00 178.31 177.29 2ngr h GLU 91 N 0.02 0.73 0.00 1.11 5.08 -1.02 -3.07 114.58 117.43 2ngr h GLU 91 Ca -0.01 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2ngr h GLU 91 Cb 1.11 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2ngr h GLU 91 CO 0.08 1.04 0.00 0.09 -1.00 0.00 0.00 179.01 179.23 2ngr n ASN 92 N -4.20 0.00 -0.07 1.42 3.02 -1.05 -2.68 115.26 111.70 2ngr n ASN 92 Ca -0.04 0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.75 2ngr n ASN 92 Cb 0.52 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 2ngr n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2ngr h VAL 93 N 0.00 1.32 0.00 2.41 2.07 -1.53 0.19 116.25 120.70 2ngr h VAL 93 Ca 0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2ngr h VAL 93 Cb 0.13 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2ngr h VAL 93 CO 0.00 0.39 -0.90 2.29 0.02 0.00 0.00 177.57 179.37 2ngr n LYS 94 N -4.49 0.42 -0.03 1.57 2.85 -1.11 -1.39 118.16 115.98 2ngr n LYS 94 Ca -0.05 0.07 -0.15 0.00 -1.05 0.00 0.00 58.31 57.13 2ngr n LYS 94 Cb 0.37 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 32.89 2ngr n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2ngr n GLU 95 N -2.29 0.70 0.02 -1.58 -0.58 -1.09 -4.64 120.64 111.17 2ngr n GLU 95 Ca 0.01 0.24 -0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2ngr n GLU 95 Cb 0.48 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2ngr n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2ngr n LYS 96 N -3.23 0.02 0.16 3.49 4.81 0.55 -4.78 118.16 119.18 2ngr n LYS 96 Ca -0.28 0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.00 2ngr n LYS 96 Cb 1.05 -0.26 -0.09 0.00 0.02 0.00 0.00 35.03 35.75 2ngr n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2ngr h TRP 97 N -0.03 -1.39 -0.91 5.64 4.06 -1.35 -1.04 115.95 120.93 2ngr h TRP 97 Ca 0.00 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.00 2ngr h TRP 97 Cb 0.03 0.58 -0.05 0.00 -1.00 0.00 0.00 29.16 28.72 2ngr h TRP 97 CO -0.01 -0.60 0.60 0.28 -3.56 0.00 0.00 178.44 175.15 2ngr h VAL 98 N -0.79 1.19 -0.85 1.49 2.07 -1.49 -1.71 116.25 116.16 2ngr h VAL 98 Ca -0.01 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2ngr h VAL 98 Cb 0.77 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2ngr h VAL 98 CO -0.22 0.22 0.46 -0.65 0.02 0.00 0.00 177.57 177.40 2ngr h PRO 99 N 1.19 1.19 -0.28 1.57 0.11 -1.73 -1.67 132.00 132.38 2ngr h PRO 99 Ca 0.35 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 2ngr h PRO 99 Cb -0.07 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.79 2ngr h PRO 99 CO -0.09 0.88 -0.06 1.49 -0.21 0.00 0.00 178.00 180.01 2ngr h GLU 100 N 1.19 0.53 -0.01 1.05 4.81 -0.73 -2.24 114.58 119.19 2ngr h GLU 100 Ca 0.30 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 2ngr h GLU 100 Cb 0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ngr h GLU 100 CO -0.05 0.73 -0.75 -0.84 -0.73 0.00 0.00 179.01 177.38 2ngr h ILE 101 N 0.30 1.51 0.00 2.32 3.07 -1.29 -3.01 117.51 120.40 2ngr h ILE 101 Ca 0.07 -2.48 0.00 0.00 1.55 0.00 0.00 64.86 64.01 2ngr h ILE 101 Cb 0.53 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.42 2ngr h ILE 101 CO 0.03 0.71 -0.01 0.71 -1.05 0.00 0.00 178.15 178.54 2ngr h THR 102 N 0.04 0.00 -0.00 0.16 1.35 -1.32 0.78 112.91 113.92 2ngr h THR 102 Ca -0.01 -0.57 -0.10 0.00 -0.55 0.00 0.00 66.41 65.17 2ngr h THR 102 Cb 1.32 1.57 0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2ngr h THR 102 CO 0.10 0.00 -0.39 -0.74 -0.25 0.00 0.00 175.52 174.24 2ngr h HIS 103 N 0.00 0.40 0.07 4.73 -0.00 -1.29 -3.12 115.15 115.94 2ngr h HIS 103 Ca 0.00 -0.22 -0.28 0.00 -0.00 0.00 0.00 60.37 59.87 2ngr h HIS 103 Cb 0.79 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 2ngr h HIS 103 CO 0.00 1.02 -1.46 0.45 -0.00 0.00 0.00 177.93 177.94 2ngr h HIS 104 N -0.34 0.26 -2.25 5.26 3.86 -1.55 -3.41 115.15 116.98 2ngr h HIS 104 Ca -0.05 -0.19 -0.58 0.00 -1.16 0.00 0.00 60.37 58.39 2ngr h HIS 104 Cb 1.13 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 29.19 2ngr h HIS 104 CO 0.17 1.23 -0.88 0.00 0.86 0.00 0.00 177.93 179.31 2ngr h PRO 106 N 4.52 0.49 -0.02 0.00 0.11 -1.71 -2.72 132.00 132.67 2ngr h PRO 106 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2ngr h PRO 106 Cb 0.81 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2ngr h PRO 106 CO 0.58 0.32 -0.34 1.63 -0.21 0.00 0.00 178.00 179.98 2ngr n LYS 107 N -4.68 1.52 -2.73 1.05 4.76 -1.26 -4.96 118.16 111.85 2ngr n LYS 107 Ca 0.24 -1.19 -0.42 0.00 -2.87 0.00 0.00 58.31 54.07 2ngr n LYS 107 Cb 0.77 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.50 2ngr n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2ngr s THR 108 N -2.25 4.77 0.79 -0.18 2.01 -1.03 -4.64 115.64 115.12 2ngr s THR 108 Ca 0.20 1.93 -0.13 0.00 0.31 0.00 0.00 61.69 64.00 2ngr s THR 108 Cb 0.18 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.49 2ngr s THR 108 CO 0.48 -0.07 1.16 -2.16 -0.69 0.00 0.00 174.62 173.33 2ngr s PRO 109 N 2.54 1.86 0.03 4.92 0.04 -1.26 -4.84 135.00 138.30 2ngr s PRO 109 Ca 0.44 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 2ngr s PRO 109 Cb -0.17 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2ngr s PRO 109 CO 0.12 -2.00 0.21 -0.59 0.04 0.00 0.00 177.00 174.78 2ngr s PHE 110 N -2.41 0.02 -0.01 0.56 -0.71 -1.26 -1.66 117.98 112.52 2ngr s PHE 110 Ca 0.69 -0.20 0.06 0.00 -1.04 0.00 0.00 56.93 56.44 2ngr s PHE 110 Cb -0.24 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 2ngr s PHE 110 CO 0.51 -0.43 -0.19 -0.51 -1.34 0.00 0.00 175.22 173.26 2ngr s LEU 111 N -1.98 2.50 -0.29 -1.99 1.02 -0.31 -1.01 118.68 116.61 2ngr s LEU 111 Ca -0.06 -0.36 -0.22 0.00 0.02 0.00 0.00 54.13 53.51 2ngr s LEU 111 Cb -0.02 -1.48 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 2ngr s LEU 111 CO -0.03 0.31 0.70 -0.22 0.02 0.00 0.00 176.35 177.13 2ngr s LEU 112 N -0.95 4.11 -0.24 1.79 2.96 -0.73 -1.36 118.68 124.24 2ngr s LEU 112 Ca 0.12 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 2ngr s LEU 112 Cb -0.10 -2.94 0.03 0.00 0.50 0.00 0.00 46.19 43.68 2ngr s LEU 112 CO 0.02 -0.51 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.76 2ngr s VAL 113 N 2.73 2.64 -0.13 1.68 1.01 0.46 -1.31 120.40 127.47 2ngr s VAL 113 Ca 0.28 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 2ngr s VAL 113 Cb -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2ngr s VAL 113 CO 0.11 0.19 0.66 -0.83 0.00 0.00 0.00 175.10 175.23 2ngr s GLY 114 N 1.28 2.32 0.41 4.51 0.00 0.02 -1.95 107.32 113.90 2ngr s GLY 114 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.72 2ngr s GLY 114 CO -0.06 1.23 0.29 -0.51 0.00 0.00 0.00 173.10 174.05 2ngr s THR 115 N 1.33 2.59 -1.36 0.90 -4.23 0.69 -1.30 115.64 114.26 2ngr s THR 115 Ca 0.33 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 2ngr s THR 115 Cb -0.17 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2ngr s THR 115 CO 0.14 -0.02 0.91 0.00 -0.54 0.00 0.00 174.62 175.11 2ngr n GLN 116 N -1.41 -5.87 0.00 3.99 6.02 -1.01 -1.35 117.38 117.75 2ngr n GLN 116 Ca 0.01 0.68 0.07 0.00 -0.01 0.00 0.00 57.00 57.76 2ngr n GLN 116 Cb 0.63 -5.49 0.33 0.00 1.02 0.00 0.00 30.24 26.72 2ngr n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2ngr n ILE 117 N -4.49 0.93 0.18 5.09 -5.35 -1.04 -2.22 119.36 112.46 2ngr n ILE 117 Ca -0.15 0.23 0.07 0.00 -0.27 0.00 0.00 62.75 62.63 2ngr n ILE 117 Cb 0.61 -0.97 0.24 0.00 -1.74 0.00 0.00 39.64 37.78 2ngr n ILE 117 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2ngr h ASP 118 N 0.00 0.00 -0.00 7.28 2.03 -1.90 -3.16 116.42 120.67 2ngr h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ngr h ASP 118 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 2ngr h ASP 118 CO 0.00 0.33 0.00 0.18 -1.03 0.00 0.00 179.24 178.72 2ngr n LEU 119 N -3.30 0.13 0.09 0.15 4.77 -0.94 -3.60 117.00 114.30 2ngr n LEU 119 Ca 0.01 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2ngr n LEU 119 Cb 0.57 -0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.89 2ngr n LEU 119 CO 0.37 0.02 0.65 0.03 -1.33 0.00 0.00 177.39 177.13 2ngr h ARG 120 N 0.21 0.25 -0.55 3.23 3.08 -1.73 -2.92 114.38 115.96 2ngr h ARG 120 Ca 0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2ngr h ARG 120 Cb 0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2ngr h ARG 120 CO 0.00 0.62 0.03 -0.25 -1.07 0.00 0.00 179.97 179.30 2ngr n ASP 121 N -4.04 5.38 -4.71 7.04 8.00 -1.24 -4.84 116.55 122.14 2ngr n ASP 121 Ca -0.01 -2.99 -0.39 0.00 0.71 0.00 0.00 54.79 52.10 2ngr n ASP 121 Cb 0.47 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 2ngr n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ngr s ASP 122 N -0.99 6.82 0.01 -2.24 2.15 -1.10 -5.00 116.67 116.31 2ngr s ASP 122 Ca 0.53 0.99 -0.05 0.00 0.43 0.00 0.00 52.55 54.45 2ngr s ASP 122 Cb 0.41 -2.36 -0.02 0.00 -0.30 0.00 0.00 42.92 40.65 2ngr s ASP 122 CO 0.15 -0.11 1.07 -0.65 -0.17 0.00 0.00 175.17 175.46 2ngr h PRO 123 N 6.91 -0.12 -1.00 4.34 0.11 -1.93 -2.25 132.00 138.05 2ngr h PRO 123 Ca -0.39 0.01 0.25 0.00 0.11 0.00 0.00 66.00 65.98 2ngr h PRO 123 Cb 1.18 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2ngr h PRO 123 CO 0.76 -0.08 0.66 1.03 -0.21 0.00 0.00 178.00 180.16 2ngr h SER 124 N -0.13 0.37 0.34 -2.05 0.87 -1.98 -2.29 113.55 108.68 2ngr h SER 124 Ca -0.01 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2ngr h SER 124 Cb 0.11 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2ngr h SER 124 CO -0.02 0.10 -0.16 0.74 -0.53 0.00 0.00 176.83 176.96 2ngr h THR 125 N 0.35 0.43 -0.45 2.23 2.02 -1.84 -2.42 112.91 113.24 2ngr h THR 125 Ca 0.54 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 67.05 2ngr h THR 125 Cb 1.48 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2ngr h THR 125 CO -0.22 0.10 0.30 0.40 0.37 0.00 0.00 175.52 176.47 2ngr h ILE 126 N -0.98 0.94 0.32 3.11 2.04 -1.20 -2.45 117.51 119.29 2ngr h ILE 126 Ca -0.05 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2ngr h ILE 126 Cb 0.51 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2ngr h ILE 126 CO 0.08 0.06 -0.15 -0.08 0.00 0.00 0.00 178.15 178.05 2ngr h GLU 127 N 0.32 -0.41 -0.03 2.37 4.81 -1.44 -1.48 114.58 118.72 2ngr h GLU 127 Ca 0.20 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2ngr h GLU 127 Cb 0.38 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2ngr h GLU 127 CO -0.04 -0.18 -0.07 0.87 -0.73 0.00 0.00 179.01 178.85 2ngr h LYS 128 N -0.57 0.04 -0.13 1.92 1.57 -0.98 -2.09 116.57 116.34 2ngr h LYS 128 Ca -0.04 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 2ngr h LYS 128 Cb 0.42 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2ngr h LYS 128 CO 0.07 0.12 -0.77 -0.07 -0.57 0.00 0.00 179.45 178.23 2ngr h LEU 129 N 0.04 0.83 -1.54 2.94 3.38 -1.31 -3.14 115.31 116.51 2ngr h LEU 129 Ca 0.01 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2ngr h LEU 129 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ngr h LEU 129 CO 0.01 1.33 -0.20 0.00 0.09 0.00 0.00 178.44 179.67 2ngr h ALA 130 N 0.65 1.21 0.00 1.53 0.00 -0.61 -0.48 119.26 121.56 2ngr h ALA 130 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ngr h ALA 130 Cb 1.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ngr h ALA 130 CO 0.15 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.29 2ngr n LYS 131 N -3.64 0.90 -0.39 0.00 5.02 -0.92 -2.17 118.16 116.96 2ngr n LYS 131 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2ngr n LYS 131 Cb 0.33 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2ngr n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ngr n ASN 132 N 0.10 0.00 -3.54 4.39 2.85 -0.92 -5.03 115.26 113.10 2ngr n ASN 132 Ca 0.00 -1.10 -0.23 0.00 -0.11 0.00 0.00 54.58 53.13 2ngr n ASN 132 Cb 0.25 -0.02 0.05 0.00 1.24 0.00 0.00 39.78 41.30 2ngr n ASN 132 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2ngr n LYS 133 N 0.00 -2.58 -4.08 1.20 4.01 -0.92 -5.02 118.16 110.76 2ngr n LYS 133 Ca 0.00 0.64 -0.10 0.00 -0.51 0.00 0.00 58.31 58.34 2ngr n LYS 133 Cb 0.52 -4.96 -0.11 0.00 -0.51 0.00 0.00 35.03 29.97 2ngr n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2ngr s GLN 134 N -5.46 0.59 0.09 1.97 -0.21 -0.23 -4.99 119.66 111.40 2ngr s GLN 134 Ca 0.34 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.73 2ngr s GLN 134 Cb -0.09 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 2ngr s GLN 134 CO 0.81 -0.04 -0.07 0.15 -2.12 0.00 0.00 175.29 174.02 2ngr s LYS 135 N -2.83 0.77 0.46 2.91 1.02 -1.26 -3.39 119.74 117.42 2ngr s LYS 135 Ca -0.01 -1.18 -0.24 0.00 0.02 0.00 0.00 55.97 54.56 2ngr s LYS 135 Cb -0.01 -0.26 -0.07 0.00 -0.52 0.00 0.00 37.83 36.97 2ngr s LYS 135 CO -0.04 0.01 1.32 -2.14 -0.92 0.00 0.00 175.35 173.57 2ngr s PRO 136 N -3.21 3.65 0.22 -1.68 0.02 -1.26 -4.84 135.00 127.90 2ngr s PRO 136 Ca 0.06 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 2ngr s PRO 136 Cb 0.01 -2.54 -0.10 0.00 0.02 0.00 0.00 34.50 31.89 2ngr s PRO 136 CO -0.03 -0.76 1.45 0.42 -0.33 0.00 0.00 177.00 177.75 2ngr s ILE 137 N -1.31 2.74 0.40 2.83 1.09 0.47 -5.00 121.20 122.41 2ngr s ILE 137 Ca 0.63 0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 60.77 2ngr s ILE 137 Cb -0.38 -3.38 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 2ngr s ILE 137 CO 0.47 0.08 0.62 0.42 -0.10 0.00 0.00 174.94 176.44 2ngr s THR 138 N 0.28 4.83 0.27 2.92 -4.23 -1.26 -4.91 115.64 113.54 2ngr s THR 138 Ca 0.61 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2ngr s THR 138 Cb -0.41 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 69.91 2ngr s THR 138 CO 0.40 -0.57 1.90 -0.65 -0.54 0.00 0.00 174.62 175.16 2ngr h PRO 139 N 0.57 1.16 -0.19 3.99 0.11 -1.99 -2.50 132.00 133.15 2ngr h PRO 139 Ca -0.48 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2ngr h PRO 139 Cb 1.22 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2ngr h PRO 139 CO 0.61 0.77 0.05 0.93 -0.21 0.00 0.00 178.00 180.15 2ngr h GLU 140 N 1.20 0.14 0.08 1.05 3.07 -1.98 0.16 114.58 118.30 2ngr h GLU 140 Ca 0.41 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2ngr h GLU 140 Cb 0.09 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2ngr h GLU 140 CO -0.15 0.09 -0.04 1.15 -1.40 0.00 0.00 179.01 178.66 2ngr h THR 141 N 0.14 0.96 -0.50 1.13 2.02 -1.90 -1.69 112.91 113.06 2ngr h THR 141 Ca 0.08 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2ngr h THR 141 Cb 0.06 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2ngr h THR 141 CO -0.10 0.03 0.22 0.00 0.37 0.00 0.00 175.52 176.05 2ngr h ALA 142 N 0.74 1.45 -0.09 6.16 0.00 -1.32 -1.98 119.26 124.22 2ngr h ALA 142 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2ngr h ALA 142 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ngr h ALA 142 CO 0.02 0.43 -0.44 0.93 0.00 0.00 0.00 179.25 180.19 2ngr h GLU 143 N 0.71 0.20 -0.23 0.00 5.08 -0.45 -1.70 114.58 118.18 2ngr h GLU 143 Ca 0.18 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2ngr h GLU 143 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ngr h GLU 143 CO -0.02 0.61 -0.39 0.87 -1.00 0.00 0.00 179.01 179.08 2ngr h LYS 144 N 0.17 0.67 -0.75 2.33 1.57 -0.70 -2.67 116.57 117.18 2ngr h LYS 144 Ca 0.01 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2ngr h LYS 144 Cb 0.85 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 2ngr h LYS 144 CO 0.07 1.03 0.37 1.25 -0.57 0.00 0.00 179.45 181.60 2ngr h LEU 145 N 0.38 0.96 -1.02 2.94 5.85 -1.24 0.10 115.31 123.29 2ngr h LEU 145 Ca 0.02 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2ngr h LEU 145 Cb 0.98 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2ngr h LEU 145 CO 0.09 0.81 0.66 0.00 -0.34 0.00 0.00 178.44 179.66 2ngr h ALA 146 N 1.34 1.29 -0.16 1.25 0.00 -1.24 0.17 119.26 121.91 2ngr h ALA 146 Ca 0.26 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2ngr h ALA 146 Cb 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.49 2ngr h ALA 146 CO -0.04 0.65 -0.77 0.00 0.00 0.00 0.00 179.25 179.09 2ngr h ARG 147 N 1.35 0.81 -0.41 0.00 3.08 -1.02 0.58 114.38 118.76 2ngr h ARG 147 Ca 0.37 -0.65 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 2ngr h ARG 147 Cb -0.14 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2ngr h ARG 147 CO -0.08 1.26 0.10 -0.44 -1.07 0.00 0.00 179.97 179.73 2ngr h ASP 148 N 0.55 0.63 -0.35 7.04 3.32 -0.51 -2.79 116.42 124.31 2ngr h ASP 148 Ca -0.05 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2ngr h ASP 148 Cb 1.40 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2ngr h ASP 148 CO 0.16 0.70 0.00 0.18 -1.72 0.00 0.00 179.24 178.56 2ngr n LEU 149 N -4.55 1.87 -3.87 1.55 4.77 0.54 -4.95 117.00 112.36 2ngr n LEU 149 Ca -0.00 -0.94 -0.26 0.00 -0.03 0.00 0.00 56.01 54.78 2ngr n LEU 149 Cb 0.21 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2ngr n LEU 149 CO 0.39 0.47 -0.06 0.29 -1.33 0.00 0.00 177.39 177.14 2ngr n LYS 150 N 0.53 -4.49 -1.84 3.23 5.02 -0.88 -5.00 118.16 114.73 2ngr n LYS 150 Ca 0.12 0.53 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 2ngr n LYS 150 Cb 0.30 -5.08 0.03 0.00 -0.02 0.00 0.00 35.03 30.25 2ngr n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ngr s ALA 151 N -3.61 2.96 0.17 7.82 0.00 0.14 -4.90 121.76 124.35 2ngr s ALA 151 Ca 0.25 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 2ngr s ALA 151 Cb -0.13 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.00 2ngr s ALA 151 CO 0.85 -0.93 1.83 0.28 0.00 0.00 0.00 175.76 177.79 2ngr h VAL 152 N -0.50 1.09 -2.08 0.00 2.07 -1.38 -3.45 116.25 112.00 2ngr h VAL 152 Ca -0.44 -0.22 0.22 0.00 0.82 0.00 0.00 66.70 67.08 2ngr h VAL 152 Cb 1.22 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2ngr h VAL 152 CO 0.62 0.12 0.63 2.29 0.02 0.00 0.00 177.57 181.25 2ngr n LYS 153 N -4.76 0.27 -5.15 1.57 2.85 -1.26 -5.09 118.16 106.58 2ngr n LYS 153 Ca 0.03 -0.80 -0.32 0.00 -1.05 0.00 0.00 58.31 56.17 2ngr n LYS 153 Cb 0.05 1.21 -0.16 0.00 -0.65 0.00 0.00 35.03 35.48 2ngr n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 2ngr s TYR 154 N -2.47 2.54 0.03 5.58 5.04 -1.26 -1.78 117.35 125.03 2ngr s TYR 154 Ca 0.22 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 2ngr s TYR 154 Cb -0.01 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.62 2ngr s TYR 154 CO 0.01 -0.22 -0.04 0.14 -1.34 0.00 0.00 175.55 174.11 2ngr s VAL 155 N -0.06 0.22 0.06 3.14 -7.23 -0.43 -4.99 120.40 111.12 2ngr s VAL 155 Ca -0.06 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 2ngr s VAL 155 Cb -0.15 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2ngr s VAL 155 CO 0.05 -0.53 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.42 2ngr s GLU 156 N -1.76 0.63 0.38 4.82 -1.05 -1.26 -0.80 118.70 119.65 2ngr s GLU 156 Ca -0.12 -1.05 -0.16 0.00 -0.15 0.00 0.00 54.97 53.49 2ngr s GLU 156 Cb -0.08 -0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.57 2ngr s GLU 156 CO -0.02 -0.02 0.79 0.00 0.95 0.00 0.00 175.26 176.96 2ngr s SER 158 N -3.06 1.39 0.37 0.00 0.15 -0.57 -2.41 113.70 109.57 2ngr s SER 158 Ca 0.15 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 56.94 2ngr s SER 158 Cb -0.05 -0.48 0.77 0.00 -1.71 0.00 0.00 66.02 64.55 2ngr s SER 158 CO 0.11 -0.13 1.75 0.00 1.20 0.00 0.00 173.24 176.17 2ngr h ALA 159 N 7.87 1.00 0.05 5.45 0.00 -1.89 -0.27 119.26 131.47 2ngr h ALA 159 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ngr h ALA 159 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ngr h ALA 159 CO 0.36 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.83 2ngr h LEU 160 N 0.00 -0.06 0.00 0.00 5.85 -1.95 -3.37 115.31 115.79 2ngr h LEU 160 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2ngr h LEU 160 Cb 0.73 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2ngr h LEU 160 CO 0.00 0.53 -0.38 0.35 -0.34 0.00 0.00 178.44 178.60 2ngr n THR 161 N -4.79 0.18 -1.06 1.05 -2.24 -1.25 -4.94 114.28 101.22 2ngr n THR 161 Ca -0.03 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2ngr n THR 161 Cb 0.12 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2ngr n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ngr n GLN 162 N -1.77 -0.99 -2.16 -0.78 6.02 -0.12 -4.98 117.38 112.61 2ngr n GLN 162 Ca 0.05 0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 2ngr n GLN 162 Cb 0.38 -4.20 -0.03 0.00 1.02 0.00 0.00 30.24 27.41 2ngr n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2ngr s LYS 163 N -1.41 4.31 0.00 -1.09 2.20 -1.19 -2.73 119.74 119.82 2ngr s LYS 163 Ca 0.00 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2ngr s LYS 163 Cb 0.00 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2ngr s LYS 163 CO 0.00 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2ngr n GLY 164 N 3.54 2.06 0.24 5.54 0.00 -1.26 -1.51 105.19 113.81 2ngr n GLY 164 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2ngr n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ngr h LEU 165 N 0.00 -0.62 -0.70 0.99 5.85 -1.78 -2.06 115.31 116.99 2ngr h LEU 165 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2ngr h LEU 165 Cb 0.00 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2ngr h LEU 165 CO 0.00 -0.27 0.44 0.50 -0.34 0.00 0.00 178.44 178.78 2ngr h LYS 166 N -0.31 0.85 0.00 1.25 3.64 -1.90 -2.36 116.57 117.74 2ngr h LYS 166 Ca 0.07 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2ngr h LYS 166 Cb 0.41 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2ngr h LYS 166 CO -0.21 0.56 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.43 2ngr h ASN 167 N 0.88 0.00 0.14 4.20 -0.73 -1.88 -2.49 115.58 115.69 2ngr h ASN 167 Ca 0.28 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.44 2ngr h ASN 167 Cb -0.01 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 2ngr h ASN 167 CO -0.10 0.14 -0.09 0.58 -0.37 0.00 0.00 177.43 177.59 2ngr h VAL 168 N 0.00 0.81 0.00 2.57 2.07 -0.82 -2.48 116.25 118.40 2ngr h VAL 168 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ngr h VAL 168 Cb 0.25 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2ngr h VAL 168 CO 0.02 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.35 2ngr h PHE 169 N -0.22 0.00 0.03 1.57 -1.00 -1.51 -2.43 116.94 113.38 2ngr h PHE 169 Ca -0.01 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.53 2ngr h PHE 169 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2ngr h PHE 169 CO -0.09 0.00 -1.01 -0.44 -1.61 0.00 0.00 178.31 175.16 2ngr h ASP 170 N 0.00 0.47 1.04 2.17 3.32 -1.27 -2.61 116.42 119.55 2ngr h ASP 170 Ca 0.00 -0.41 -0.13 0.00 0.02 0.00 0.00 57.03 56.52 2ngr h ASP 170 Cb 0.62 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2ngr h ASP 170 CO 0.00 1.23 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.82 2ngr h GLU 171 N 0.18 0.00 -0.13 3.56 4.39 -1.24 -2.22 114.58 119.11 2ngr h GLU 171 Ca -0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2ngr h GLU 171 Cb 1.67 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.31 2ngr h GLU 171 CO 0.17 0.60 -0.07 0.00 -1.16 0.00 0.00 179.01 178.56 2ngr h ALA 172 N 1.40 0.18 -0.52 3.43 0.00 -1.42 -1.20 119.26 121.12 2ngr h ALA 172 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ngr h ALA 172 Cb 1.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2ngr h ALA 172 CO 0.08 -0.02 0.31 0.82 0.00 0.00 0.00 179.25 180.44 2ngr h ILE 173 N -0.08 1.16 -0.27 0.00 2.04 -1.46 -1.37 117.51 117.53 2ngr h ILE 173 Ca 0.03 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2ngr h ILE 173 Cb 0.54 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2ngr h ILE 173 CO 0.02 0.17 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 2ngr h LEU 174 N 0.70 0.42 -0.19 1.44 3.38 -1.38 -1.44 115.31 118.25 2ngr h LEU 174 Ca 0.19 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2ngr h LEU 174 Cb -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2ngr h LEU 174 CO -0.03 0.57 -0.43 0.00 0.09 0.00 0.00 178.44 178.63 2ngr h ALA 175 N 1.48 0.30 0.00 1.53 0.00 -0.88 -2.94 119.26 118.76 2ngr h ALA 175 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2ngr h ALA 175 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ngr h ALA 175 CO 0.02 0.43 -0.26 0.00 0.00 0.00 0.00 179.25 179.44 2ngr h ALA 176 N 0.58 1.37 -0.02 0.00 0.00 -1.04 -2.81 119.26 117.34 2ngr h ALA 176 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ngr h ALA 176 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ngr h ALA 176 CO 0.09 0.33 -0.06 1.28 0.00 0.00 0.00 179.25 180.90 2ngr n LEU 177 N -3.94 1.63 -4.69 0.00 4.77 -0.56 -4.89 117.00 109.32 2ngr n LEU 177 Ca -0.02 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 2ngr n LEU 177 Cb 0.34 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2ngr n LEU 177 CO 0.36 0.28 1.17 -0.70 -1.33 0.00 0.00 177.39 177.16 2ngr s GLU 178 N -2.10 4.26 0.29 3.23 2.56 -1.06 -4.97 118.70 120.91 2ngr s GLU 178 Ca 0.34 2.04 -0.30 0.00 0.00 0.00 0.00 54.97 57.05 2ngr s GLU 178 Cb 0.20 -3.61 -0.11 0.00 2.00 0.00 0.00 34.13 32.62 2ngr s GLU 178 CO 0.37 -0.62 1.51 -1.25 -0.56 0.00 0.00 175.26 174.71 2ngr s PRO 179 N 2.56 4.18 1.19 4.30 0.04 -1.26 -5.00 135.00 141.01 2ngr s PRO 179 Ca 0.66 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 64.01 2ngr s PRO 179 Cb -0.33 -3.05 0.28 0.00 0.04 0.00 0.00 34.50 31.44 2ngr s PRO 179 CO 0.27 -0.52 1.03 -1.25 0.04 0.00 0.00 177.00 176.57 2ngr s PRO 180 N -0.69 -1.09 0.62 0.56 0.04 -1.26 -4.97 135.00 128.20 2ngr s PRO 180 Ca 0.60 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 2ngr s PRO 180 Cb -0.45 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2ngr s PRO 180 CO 0.48 -3.75 1.22 -1.21 0.04 0.00 0.00 177.00 173.78 2ngr s GLU 181 N -4.82 2.78 0.01 4.56 2.02 -1.26 -4.86 118.70 117.13 2ngr s GLU 181 Ca 0.68 1.83 -0.37 0.00 0.02 0.00 0.00 54.97 57.13 2ngr s GLU 181 Cb -0.19 -1.90 -0.16 0.00 0.10 0.00 0.00 34.13 31.97 2ngr s GLU 181 CO 0.61 -1.36 1.46 -2.30 0.02 0.00 0.00 175.26 173.69 2ngr n PRO 182 N -1.84 1.26 -1.03 0.39 -0.02 -1.26 -1.06 135.00 131.43 2ngr n PRO 182 Ca 0.14 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.06 2ngr n PRO 182 Cb 0.50 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2ngr n PRO 182 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ngr n LYS 183 N 3.33 -1.04 -2.71 -0.52 4.76 -1.26 -4.99 118.16 115.72 2ngr n LYS 183 Ca 0.20 0.33 -0.12 0.00 -2.87 0.00 0.00 58.31 55.85 2ngr n LYS 183 Cb 0.19 -4.15 -0.01 0.00 -1.84 0.00 0.00 35.03 29.22 2ngr n LYS 183 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ngr n LYS 184 N -1.05 1.21 -3.99 1.97 4.76 -0.23 -5.17 118.16 115.67 2ngr n LYS 184 Ca -0.01 -1.57 -0.09 0.00 -2.87 0.00 0.00 58.31 53.77 2ngr n LYS 184 Cb 0.28 0.24 -0.08 0.00 -1.84 0.00 0.00 35.03 33.63 2ngr n LYS 184 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2ngr s SER 185 N -2.39 0.19 0.00 4.39 0.15 -1.26 -4.73 113.70 110.04 2ngr s SER 185 Ca 0.10 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2ngr s SER 185 Cb -0.01 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2ngr s SER 185 CO 0.06 -0.77 0.00 0.54 1.20 0.00 0.00 173.24 174.28 2ngr n ARG 186 N -0.10 2.35 -1.74 5.44 1.74 -1.26 -4.86 116.66 118.23 2ngr n ARG 186 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 2ngr n ARG 186 Cb 0.63 -0.87 -0.01 0.00 -1.02 0.00 0.00 32.46 31.18 2ngr n ARG 186 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2ngr n ARG 187 N -1.76 2.54 -2.36 5.56 0.63 -1.26 -3.17 116.66 116.85 2ngr n ARG 187 Ca 0.00 0.90 -0.43 0.00 -0.92 0.00 0.00 57.85 57.40 2ngr n ARG 187 Cb 0.37 -2.62 -0.02 0.00 0.45 0.00 0.00 32.46 30.63 2ngr n ARG 187 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ngr s VAL 189 N 3.05 3.52 -0.05 0.00 1.01 -1.26 -0.37 120.40 126.30 2ngr s VAL 189 Ca 0.58 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2ngr s VAL 189 Cb -0.25 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2ngr s VAL 189 CO 0.20 0.12 -0.10 -0.76 0.00 0.00 0.00 175.10 174.56 2ngr s LEU 190 N 1.43 1.67 0.00 3.92 1.43 -1.26 -5.02 118.68 120.84 2ngr s LEU 190 Ca 0.01 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2ngr s LEU 190 Cb -0.17 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2ngr s LEU 190 CO -0.00 0.04 0.29 0.18 0.23 0.00 0.00 176.35 177.09