#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfr n SER 2 N 0.00 3.94 0.30 -1.34 2.88 -1.26 -4.87 113.62 113.26 1mfr n SER 2 Ca 0.00 1.13 0.19 0.00 -1.33 0.00 0.00 58.87 58.86 1mfr n SER 2 Cb 0.00 -1.60 0.90 0.00 -0.75 0.00 0.00 64.21 62.76 1mfr n SER 2 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1mfr h GLN 3 N 5.15 0.00 0.04 -1.46 3.07 -1.99 -2.64 115.11 117.28 1mfr h GLN 3 Ca -0.46 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.03 1mfr h GLN 3 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.75 1mfr h GLN 3 CO 0.82 0.02 -1.26 0.28 0.09 0.00 0.00 178.83 178.78 1mfr h VAL 4 N 0.00 1.42 -2.82 1.86 2.07 -1.92 -3.47 116.25 113.39 1mfr h VAL 4 Ca -0.00 -3.13 -0.53 0.00 0.82 0.00 0.00 66.70 63.86 1mfr h VAL 4 Cb 0.30 2.76 0.07 0.00 -1.52 0.00 0.00 31.29 32.90 1mfr h VAL 4 CO 0.00 0.84 0.94 -1.14 0.02 0.00 0.00 177.57 178.24 1mfr n ARG 5 N -3.33 2.68 -3.65 1.57 0.63 -1.00 -4.81 116.66 108.76 1mfr n ARG 5 Ca -0.07 0.96 -0.05 0.00 -0.92 0.00 0.00 57.85 57.77 1mfr n ARG 5 Cb 0.99 -2.78 -0.06 0.00 0.45 0.00 0.00 32.46 31.06 1mfr n ARG 5 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1mfr s GLN 6 N 0.56 0.63 -1.34 -0.14 0.74 -1.26 -4.92 119.66 113.93 1mfr s GLN 6 Ca 0.72 1.28 -0.02 0.00 0.05 0.00 0.00 55.36 57.38 1mfr s GLN 6 Cb -0.52 0.39 0.01 0.00 1.10 0.00 0.00 33.01 33.99 1mfr s GLN 6 CO 0.38 -0.17 0.16 -1.71 -0.55 0.00 0.00 175.29 173.40 1mfr n ASN 7 N 4.74 -4.71 -4.13 6.67 5.15 -1.26 -4.94 115.26 116.78 1mfr n ASN 7 Ca -0.17 -0.01 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 1mfr n ASN 7 Cb 0.55 -3.93 -0.13 0.00 -0.53 0.00 0.00 39.78 35.75 1mfr n ASN 7 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1mfr s TYR 8 N -2.85 3.48 0.44 1.20 5.04 -1.26 -4.80 117.35 118.60 1mfr s TYR 8 Ca 0.10 -2.27 -0.24 0.00 -2.44 0.00 0.00 57.07 52.23 1mfr s TYR 8 Cb -0.05 -2.75 -0.08 0.00 0.35 0.00 0.00 41.96 39.43 1mfr s TYR 8 CO 0.13 -0.90 1.16 -1.58 -1.34 0.00 0.00 175.55 173.01 1mfr s HIS 9 N 1.16 2.94 0.27 4.97 5.65 -1.26 -4.94 115.29 124.08 1mfr s HIS 9 Ca 0.03 1.54 -0.04 0.00 0.25 0.00 0.00 55.06 56.85 1mfr s HIS 9 Cb -0.21 -3.37 0.36 0.00 -1.18 0.00 0.00 32.58 28.18 1mfr s HIS 9 CO -0.03 -1.41 1.92 1.03 -0.65 0.00 0.00 174.74 175.59 1mfr h SER 10 N 2.22 1.07 -0.60 9.88 0.87 -1.99 -1.73 113.55 123.26 1mfr h SER 10 Ca -0.49 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 1mfr h SER 10 Cb 1.24 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1mfr h SER 10 CO 0.61 0.73 0.07 0.44 -0.53 0.00 0.00 176.83 178.15 1mfr h ASP 11 N 1.24 0.97 -0.30 6.23 3.32 -1.99 -1.90 116.42 123.99 1mfr h ASP 11 Ca 0.39 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1mfr h ASP 11 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1mfr h ASP 11 CO -0.12 1.00 0.20 0.00 -1.72 0.00 0.00 179.24 178.60 1mfr h GLU 13 N 0.40 0.22 -0.47 0.00 4.81 -1.24 0.19 114.58 118.50 1mfr h GLU 13 Ca 0.11 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1mfr h GLU 13 Cb -0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1mfr h GLU 13 CO -0.02 0.14 0.07 0.00 -0.73 0.00 0.00 179.01 178.47 1mfr h ALA 14 N 1.32 1.25 -0.10 2.92 0.00 -1.16 -2.03 119.26 121.46 1mfr h ALA 14 Ca 0.21 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1mfr h ALA 14 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mfr h ALA 14 CO -0.27 0.51 -0.59 0.00 0.00 0.00 0.00 179.25 178.90 1mfr h ALA 15 N 1.38 0.80 -0.55 0.00 0.00 -0.52 -2.34 119.26 118.03 1mfr h ALA 15 Ca 0.15 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1mfr h ALA 15 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1mfr h ALA 15 CO 0.01 0.71 0.01 0.28 0.00 0.00 0.00 179.25 180.26 1mfr h VAL 16 N 0.25 1.26 -0.27 0.00 2.07 -0.72 -0.39 116.25 118.46 1mfr h VAL 16 Ca -0.00 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1mfr h VAL 16 Cb 1.11 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1mfr h VAL 16 CO 0.10 0.40 -0.07 0.78 0.02 0.00 0.00 177.57 178.79 1mfr h ASN 17 N 0.85 0.41 -0.23 0.57 2.35 -1.30 -0.77 115.58 117.45 1mfr h ASN 17 Ca 0.16 -0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.62 1mfr h ASN 17 Cb 0.53 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1mfr h ASN 17 CO 0.03 0.52 -0.66 -0.09 -1.65 0.00 0.00 177.43 175.58 1mfr h ARG 18 N 0.41 0.85 -0.61 0.81 2.43 -1.19 -2.96 114.38 114.11 1mfr h ARG 18 Ca 0.08 -0.61 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 1mfr h ARG 18 Cb 0.38 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1mfr h ARG 18 CO 0.02 1.23 0.17 1.98 -1.51 0.00 0.00 179.97 181.86 1mfr h MET 19 N 0.61 0.96 -0.46 0.20 4.05 -0.68 -2.07 114.93 117.54 1mfr h MET 19 Ca -0.02 -0.22 0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1mfr h MET 19 Cb 1.28 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 1mfr h MET 19 CO 0.14 0.87 0.04 1.25 0.23 0.00 0.00 176.91 179.44 1mfr h LEU 20 N 0.88 -0.11 -0.56 3.39 6.46 -1.15 -0.76 115.31 123.47 1mfr h LEU 20 Ca 0.19 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1mfr h LEU 20 Cb 0.32 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1mfr h LEU 20 CO -0.00 -0.02 0.07 -1.13 -0.62 0.00 0.00 178.44 176.73 1mfr h ASN 21 N 0.16 0.90 -0.84 1.25 -0.73 -1.38 -1.99 115.58 112.96 1mfr h ASN 21 Ca 0.23 -0.27 0.01 0.00 1.87 0.00 0.00 56.30 58.14 1mfr h ASN 21 Cb 0.32 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.63 1mfr h ASN 21 CO -0.35 0.95 0.56 0.25 -0.37 0.00 0.00 177.43 178.47 1mfr h LEU 22 N 0.83 0.96 -0.26 0.34 6.46 -0.83 0.51 115.31 123.32 1mfr h LEU 22 Ca 0.17 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1mfr h LEU 22 Cb 0.44 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1mfr h LEU 22 CO 0.02 0.69 0.13 -0.33 -0.62 0.00 0.00 178.44 178.33 1mfr h GLU 23 N 1.13 0.38 -0.10 1.25 4.39 -0.96 -0.34 114.58 120.34 1mfr h GLU 23 Ca 0.31 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1mfr h GLU 23 Cb -0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1mfr h GLU 23 CO -0.07 0.36 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.97 1mfr h LEU 24 N 0.30 0.13 -0.16 1.33 3.38 -0.72 -0.71 115.31 118.87 1mfr h LEU 24 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1mfr h LEU 24 Cb 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mfr h LEU 24 CO -0.01 0.25 -0.06 0.22 0.09 0.00 0.00 178.44 178.93 1mfr h TYR 25 N 0.14 0.36 -0.83 1.13 3.20 -0.55 -1.63 116.97 118.78 1mfr h TYR 25 Ca 0.03 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1mfr h TYR 25 Cb 0.27 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1mfr h TYR 25 CO 0.00 0.62 0.55 0.00 -1.64 0.00 0.00 178.16 177.69 1mfr h ALA 26 N 0.69 1.06 -0.08 1.82 0.00 -0.74 -0.53 119.26 121.49 1mfr h ALA 26 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1mfr h ALA 26 Cb 0.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1mfr h ALA 26 CO 0.02 0.45 -0.04 1.03 0.00 0.00 0.00 179.25 180.71 1mfr h SER 27 N 1.12 -0.12 -0.66 0.00 0.87 -1.11 -2.14 113.55 111.50 1mfr h SER 27 Ca 0.31 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1mfr h SER 27 Cb -0.11 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1mfr h SER 27 CO -0.07 -0.05 0.42 0.22 -0.53 0.00 0.00 176.83 176.82 1mfr h TYR 28 N -0.03 0.86 -0.62 2.24 3.20 -0.85 -1.54 116.97 120.23 1mfr h TYR 28 Ca 0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1mfr h TYR 28 Cb 0.09 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1mfr h TYR 28 CO -0.15 0.56 0.06 1.15 -1.64 0.00 0.00 178.16 178.14 1mfr h THR 29 N 0.91 1.26 -0.10 1.81 2.02 -0.82 -2.44 112.91 115.55 1mfr h THR 29 Ca 0.24 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 1mfr h THR 29 Cb -0.07 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1mfr h THR 29 CO -0.05 0.40 -0.32 1.88 0.37 0.00 0.00 175.52 177.80 1mfr h TYR 30 N 0.97 0.22 -0.83 3.16 0.05 -0.82 -2.29 116.97 117.43 1mfr h TYR 30 Ca 0.18 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1mfr h TYR 30 Cb 0.49 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 1mfr h TYR 30 CO 0.04 0.50 0.46 1.03 -1.05 0.00 0.00 178.16 179.14 1mfr h SER 31 N 0.17 1.02 -0.07 3.88 0.87 -1.01 0.53 113.55 118.94 1mfr h SER 31 Ca 0.02 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1mfr h SER 31 Cb 0.66 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1mfr h SER 31 CO 0.05 0.82 0.04 0.28 -0.53 0.00 0.00 176.83 177.49 1mfr h SER 32 N 1.16 0.09 -0.75 6.23 0.02 -0.96 -2.08 113.55 117.26 1mfr h SER 32 Ca 0.29 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1mfr h SER 32 Cb 0.01 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1mfr h SER 32 CO -0.05 0.12 0.39 0.24 -1.14 0.00 0.00 176.83 176.39 1mfr h MET 33 N 0.05 1.08 0.36 3.45 2.07 -0.94 -0.12 114.93 120.88 1mfr h MET 33 Ca 0.03 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1mfr h MET 33 Cb 0.05 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 29.56 1mfr h MET 33 CO -0.00 0.81 -0.28 -0.92 1.07 0.00 0.00 176.91 177.59 1mfr h TYR 34 N 1.08 -0.73 -0.13 -0.22 3.20 -0.74 -2.40 116.97 117.03 1mfr h TYR 34 Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1mfr h TYR 34 Cb 0.07 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1mfr h TYR 34 CO 0.01 -0.41 0.08 0.00 -1.64 0.00 0.00 178.16 176.20 1mfr h ALA 35 N -0.07 1.92 -0.10 1.82 0.00 -1.02 -2.48 119.26 119.33 1mfr h ALA 35 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mfr h ALA 35 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1mfr h ALA 35 CO -0.00 0.07 -0.02 0.35 0.00 0.00 0.00 179.25 179.64 1mfr h PHE 36 N 0.16 0.23 0.00 0.00 3.57 -0.72 -3.10 116.94 117.08 1mfr h PHE 36 Ca 0.05 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1mfr h PHE 36 Cb -0.01 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1mfr h PHE 36 CO -0.00 0.51 0.00 1.19 -2.23 0.00 0.00 178.31 177.78 1mfr n PHE 37 N -4.76 0.53 0.59 0.41 3.72 -0.93 -2.72 117.46 114.31 1mfr n PHE 37 Ca -0.06 0.17 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1mfr n PHE 37 Cb 0.24 -0.78 0.34 0.00 -0.94 0.00 0.00 39.48 38.34 1mfr n PHE 37 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1mfr h ASP 38 N 0.00 0.00 -3.56 4.37 3.58 -1.41 -2.46 116.42 116.94 1mfr h ASP 38 Ca 0.00 -0.04 -0.57 0.00 0.42 0.00 0.00 57.03 56.84 1mfr h ASP 38 Cb 0.52 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.71 1mfr h ASP 38 CO 0.00 0.02 0.33 0.54 -2.88 0.00 0.00 179.24 177.26 1mfr n ARG 39 N -2.28 1.44 0.20 0.28 1.74 -1.10 -4.69 116.66 112.25 1mfr n ARG 39 Ca 0.05 0.53 0.04 0.00 -0.77 0.00 0.00 57.85 57.69 1mfr n ARG 39 Cb 0.44 -2.29 0.41 0.00 -1.02 0.00 0.00 32.46 30.00 1mfr n ARG 39 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1mfr h ASP 40 N 1.34 0.00 -0.05 0.55 2.03 -1.90 0.36 116.42 118.74 1mfr h ASP 40 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1mfr h ASP 40 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1mfr h ASP 40 CO 0.56 0.31 0.00 -0.90 -1.03 0.00 0.00 179.24 178.18 1mfr n ASP 41 N -4.14 1.06 -0.03 4.15 5.68 -1.26 -4.05 116.55 117.96 1mfr n ASP 41 Ca -0.02 -1.45 -0.06 0.00 -0.50 0.00 0.00 54.79 52.76 1mfr n ASP 41 Cb 0.36 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.29 1mfr n ASP 41 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1mfr n VAL 42 N -0.14 0.34 -2.71 2.12 0.31 -0.85 -5.06 118.33 112.34 1mfr n VAL 42 Ca 0.18 -0.09 -0.07 0.00 -0.01 0.00 0.00 64.34 64.35 1mfr n VAL 42 Cb 0.26 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1mfr n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mfr n ALA 43 N -3.18 -0.98 -3.13 3.52 0.00 0.12 -4.94 120.51 111.93 1mfr n ALA 43 Ca -0.12 0.01 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 1mfr n ALA 43 Cb 0.59 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1mfr n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mfr s LEU 44 N -5.40 5.87 0.39 0.00 2.01 -0.93 -4.90 118.68 115.72 1mfr s LEU 44 Ca 0.09 -2.56 0.14 0.00 0.01 0.00 0.00 54.13 51.82 1mfr s LEU 44 Cb -0.05 -2.30 0.80 0.00 0.01 0.00 0.00 46.19 44.64 1mfr s LEU 44 CO 0.12 -0.75 1.85 0.45 1.01 0.00 0.00 176.35 179.02 1mfr h HIS 45 N 8.02 0.00 0.01 0.29 3.86 -1.93 -1.20 115.15 124.19 1mfr h HIS 45 Ca 0.16 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.14 1mfr h HIS 45 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1mfr h HIS 45 CO 1.07 0.34 -0.96 -0.91 0.86 0.00 0.00 177.93 178.32 1mfr h ASN 46 N 0.00 0.55 -0.63 2.45 2.35 -1.90 -2.03 115.58 116.36 1mfr h ASN 46 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1mfr h ASN 46 Cb 0.62 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1mfr h ASN 46 CO 0.04 1.25 0.40 0.58 -1.65 0.00 0.00 177.43 178.06 1mfr h VAL 47 N 0.23 1.17 -0.52 2.81 2.07 -1.80 -1.53 116.25 118.68 1mfr h VAL 47 Ca -0.09 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1mfr h VAL 47 Cb 1.60 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1mfr h VAL 47 CO 0.17 0.17 0.32 0.00 0.02 0.00 0.00 177.57 178.25 1mfr h ALA 48 N 1.22 0.67 -0.08 1.67 0.00 -1.16 -2.39 119.26 119.19 1mfr h ALA 48 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1mfr h ALA 48 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mfr h ALA 48 CO -0.05 0.03 -0.29 0.93 0.00 0.00 0.00 179.25 179.87 1mfr h GLU 49 N 0.63 0.15 -0.28 0.00 4.39 -1.12 -1.49 114.58 116.86 1mfr h GLU 49 Ca 0.21 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1mfr h GLU 49 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1mfr h GLU 49 CO -0.09 0.43 0.19 0.35 -1.16 0.00 0.00 179.01 178.73 1mfr h PHE 50 N 0.13 0.35 -0.16 4.33 3.57 -0.82 -0.64 116.94 123.70 1mfr h PHE 50 Ca 0.02 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1mfr h PHE 50 Cb 0.59 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1mfr h PHE 50 CO 0.01 0.22 -0.50 0.74 -2.23 0.00 0.00 178.31 176.55 1mfr h PHE 51 N 0.38 0.51 -0.50 0.41 0.04 -1.32 -2.43 116.94 114.04 1mfr h PHE 51 Ca 0.10 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1mfr h PHE 51 Cb -0.04 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1mfr h PHE 51 CO -0.06 0.83 0.10 -0.22 -0.60 0.00 0.00 178.31 178.37 1mfr h LYS 52 N 0.33 0.76 -0.48 1.51 3.64 -1.02 -0.70 116.57 120.61 1mfr h LYS 52 Ca 0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 1mfr h LYS 52 Cb 0.99 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1mfr h LYS 52 CO 0.09 0.70 0.03 0.93 -2.27 0.00 0.00 179.45 178.93 1mfr h GLU 53 N 0.73 0.83 -0.17 1.90 5.08 -1.03 -2.87 114.58 119.06 1mfr h GLU 53 Ca 0.16 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1mfr h GLU 53 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1mfr h GLU 53 CO 0.00 0.86 -0.07 0.45 -1.00 0.00 0.00 179.01 179.25 1mfr h HIS 54 N 0.69 0.26 -0.28 4.33 3.86 -0.97 -1.87 115.15 121.16 1mfr h HIS 54 Ca 0.14 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 1mfr h HIS 54 Cb 0.46 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1mfr h HIS 54 CO 0.03 0.33 -0.43 0.66 0.86 0.00 0.00 177.93 179.38 1mfr h SER 55 N 0.25 0.75 -0.17 2.45 4.64 -1.01 -2.50 113.55 117.96 1mfr h SER 55 Ca 0.05 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1mfr h SER 55 Cb 0.29 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1mfr h SER 55 CO 0.01 1.08 -0.09 0.45 -0.87 0.00 0.00 176.83 177.41 1mfr h HIS 56 N 0.57 0.55 -0.15 4.77 -0.00 -1.29 -1.82 115.15 117.78 1mfr h HIS 56 Ca 0.04 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1mfr h HIS 56 Cb 0.98 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1mfr h HIS 56 CO 0.05 0.60 -0.02 0.93 -0.00 0.00 0.00 177.93 179.48 1mfr h GLU 57 N 0.48 0.28 0.00 2.45 5.08 -1.23 -1.87 114.58 119.76 1mfr h GLU 57 Ca 0.09 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1mfr h GLU 57 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1mfr h GLU 57 CO 0.02 0.54 -0.30 0.93 -1.00 0.00 0.00 179.01 179.21 1mfr h GLU 58 N -0.02 0.00 -0.38 2.33 4.39 -1.29 -0.90 114.58 118.71 1mfr h GLU 58 Ca 0.04 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 1mfr h GLU 58 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1mfr h GLU 58 CO 0.01 0.30 -0.33 -0.09 -1.16 0.00 0.00 179.01 177.75 1mfr h ARG 59 N 0.00 0.90 -0.07 2.33 9.65 -1.30 -1.65 114.38 124.25 1mfr h ARG 59 Ca -0.00 -0.45 -0.08 0.00 -1.10 0.00 0.00 59.98 58.35 1mfr h ARG 59 Cb 0.57 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1mfr h ARG 59 CO 0.04 1.10 -0.32 0.93 2.80 0.00 0.00 179.97 184.53 1mfr h GLU 60 N 0.71 0.13 -0.49 0.20 3.07 -0.96 -2.02 114.58 115.22 1mfr h GLU 60 Ca 0.07 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1mfr h GLU 60 Cb 0.91 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1mfr h GLU 60 CO 0.08 0.44 -0.10 0.45 -1.40 0.00 0.00 179.01 178.48 1mfr h HIS 61 N 0.12 1.00 -0.63 4.33 -0.00 -0.86 -2.11 115.15 117.01 1mfr h HIS 61 Ca 0.02 -0.19 -0.09 0.00 -0.00 0.00 0.00 60.37 60.10 1mfr h HIS 61 Cb 0.62 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 1mfr h HIS 61 CO 0.01 0.95 0.04 0.00 -0.00 0.00 0.00 177.93 178.93 1mfr h ALA 62 N 1.06 0.84 -0.19 2.45 0.00 -0.89 -2.79 119.26 119.75 1mfr h ALA 62 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1mfr h ALA 62 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mfr h ALA 62 CO 0.04 0.65 -0.26 0.93 0.00 0.00 0.00 179.25 180.61 1mfr h GLU 63 N 0.99 0.36 -0.46 0.00 5.08 -1.30 -2.22 114.58 117.02 1mfr h GLU 63 Ca 0.18 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1mfr h GLU 63 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1mfr h GLU 63 CO 0.02 0.60 0.16 0.87 -1.00 0.00 0.00 179.01 179.66 1mfr h LYS 64 N 0.32 0.66 -0.27 2.33 1.57 -1.21 -1.77 116.57 118.20 1mfr h LYS 64 Ca 0.05 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1mfr h LYS 64 Cb 0.63 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1mfr h LYS 64 CO 0.05 0.57 -0.41 0.74 -0.57 0.00 0.00 179.45 179.82 1mfr h PHE 65 N 0.66 0.78 -0.27 -1.35 0.04 -1.22 -0.85 116.94 114.73 1mfr h PHE 65 Ca 0.16 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1mfr h PHE 65 Cb 0.16 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1mfr h PHE 65 CO 0.01 0.95 0.18 0.52 -0.60 0.00 0.00 178.31 179.37 1mfr h MET 66 N 0.53 0.35 -0.71 1.51 2.86 -0.98 -1.31 114.93 117.19 1mfr h MET 66 Ca 0.04 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1mfr h MET 66 Cb 0.93 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 1mfr h MET 66 CO 0.08 0.23 0.47 0.87 1.06 0.00 0.00 176.91 179.63 1mfr h LYS 67 N 0.36 0.92 -0.01 1.72 1.79 -1.27 -2.73 116.57 117.36 1mfr h LYS 67 Ca 0.10 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1mfr h LYS 67 Cb -0.04 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.38 1mfr h LYS 67 CO -0.02 0.61 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.96 1mfr h TYR 68 N 0.95 -0.20 -0.23 -1.35 3.20 -0.93 -1.04 116.97 117.38 1mfr h TYR 68 Ca 0.26 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1mfr h TYR 68 Cb -0.09 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 1mfr h TYR 68 CO -0.03 -0.12 -0.34 0.37 -1.64 0.00 0.00 178.16 176.40 1mfr h GLN 69 N -0.13 -0.35 -0.30 1.82 5.75 -1.09 -1.65 115.11 119.16 1mfr h GLN 69 Ca 0.03 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1mfr h GLN 69 Cb 0.18 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1mfr h GLN 69 CO -0.08 -0.23 -0.05 -0.91 -2.65 0.00 0.00 178.83 174.90 1mfr h ASN 70 N -0.36 0.46 -0.86 -0.69 2.35 -1.40 -0.40 115.58 114.68 1mfr h ASN 70 Ca 0.12 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1mfr h ASN 70 Cb 0.56 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 1mfr h ASN 70 CO -0.43 0.56 0.57 0.11 -1.65 0.00 0.00 177.43 176.59 1mfr h LYS 71 N 0.46 1.07 -0.01 0.81 1.57 -0.48 -2.69 116.57 117.31 1mfr h LYS 71 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1mfr h LYS 71 Cb 0.38 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1mfr h LYS 71 CO 0.02 0.71 -0.13 0.54 -0.57 0.00 0.00 179.45 180.02 1mfr n ARG 72 N -4.43 0.83 -0.73 3.15 5.12 -0.69 -4.93 116.66 115.00 1mfr n ARG 72 Ca 0.11 -0.36 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 1mfr n ARG 72 Cb 0.07 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1mfr n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mfr n GLY 73 N 1.27 0.73 3.76 -0.13 0.00 -0.89 -3.93 105.19 106.01 1mfr n GLY 73 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1mfr n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mfr s GLY 74 N -1.89 1.60 -0.11 -0.02 0.00 -0.21 -4.49 107.32 102.20 1mfr s GLY 74 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1mfr s GLY 74 CO 0.00 -0.01 -0.18 0.50 0.00 0.00 0.00 173.10 173.40 1mfr s ARG 75 N -5.33 2.53 0.20 2.90 1.81 -1.26 -4.22 118.95 115.57 1mfr s ARG 75 Ca 0.66 -0.68 -0.31 0.00 -1.72 0.00 0.00 55.73 53.68 1mfr s ARG 75 Cb -0.13 -2.04 -0.09 0.00 -0.45 0.00 0.00 34.95 32.23 1mfr s ARG 75 CO 0.54 0.02 1.44 0.08 -0.68 0.00 0.00 175.30 176.70 1mfr s VAL 76 N 0.74 2.86 -0.21 3.52 1.01 -1.26 -4.99 120.40 122.06 1mfr s VAL 76 Ca -0.11 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1mfr s VAL 76 Cb -0.16 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.86 1mfr s VAL 76 CO 0.02 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 174.55 1mfr s VAL 77 N 0.48 0.65 0.31 2.92 1.01 -1.26 -5.13 120.40 119.38 1mfr s VAL 77 Ca 0.62 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1mfr s VAL 77 Cb -0.40 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 1mfr s VAL 77 CO 0.37 -0.26 0.76 -0.76 0.00 0.00 0.00 175.10 175.21 1mfr s LEU 78 N 1.79 4.12 0.46 3.92 1.43 -1.26 -4.91 118.68 124.23 1mfr s LEU 78 Ca -0.00 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 1mfr s LEU 78 Cb -0.17 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1mfr s LEU 78 CO -0.10 -0.16 0.01 -1.10 0.23 0.00 0.00 176.35 175.22 1mfr s GLN 79 N -2.75 2.08 0.42 1.70 -0.21 -1.26 -5.11 119.66 114.53 1mfr s GLN 79 Ca 0.52 -2.27 -0.25 0.00 0.02 0.00 0.00 55.36 53.38 1mfr s GLN 79 Cb -0.12 -1.54 -0.08 0.00 1.00 0.00 0.00 33.01 32.26 1mfr s GLN 79 CO 0.18 -0.23 1.31 -0.51 -2.12 0.00 0.00 175.29 173.92 1mfr s ASP 80 N -3.80 6.19 -0.36 5.90 1.11 -1.26 -4.99 116.67 119.47 1mfr s ASP 80 Ca 0.19 2.67 -0.19 0.00 0.18 0.00 0.00 52.55 55.40 1mfr s ASP 80 Cb 0.05 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1mfr s ASP 80 CO 0.10 -0.94 0.54 -0.63 1.18 0.00 0.00 175.17 175.42 1mfr s ILE 81 N -1.27 4.98 0.39 0.77 1.01 -1.26 -5.04 121.20 120.77 1mfr s ILE 81 Ca 0.59 0.36 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 1mfr s ILE 81 Cb -0.38 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1mfr s ILE 81 CO 0.49 -0.26 1.18 -0.54 0.00 0.00 0.00 174.94 175.81 1mfr s LYS 82 N 2.48 4.11 0.53 2.79 3.01 -1.26 -4.99 119.74 126.41 1mfr s LYS 82 Ca 0.20 1.88 -0.22 0.00 -1.01 0.00 0.00 55.97 56.82 1mfr s LYS 82 Cb -0.15 -2.74 -0.05 0.00 -1.01 0.00 0.00 37.83 33.87 1mfr s LYS 82 CO 0.14 -0.28 1.34 0.36 0.51 0.00 0.00 175.35 177.42 1mfr n LYS 83 N 0.20 1.71 -1.24 1.68 2.85 -1.26 -4.93 118.16 117.18 1mfr n LYS 83 Ca 0.04 0.63 -0.35 0.00 -1.05 0.00 0.00 58.31 57.57 1mfr n LYS 83 Cb 0.46 -2.55 0.10 0.00 -0.65 0.00 0.00 35.03 32.39 1mfr n LYS 83 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1mfr n PRO 84 N -0.88 0.33 -0.35 -1.58 -0.04 -1.26 -4.93 135.00 126.30 1mfr n PRO 84 Ca 0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1mfr n PRO 84 Cb 0.44 -2.17 0.14 0.00 -0.04 0.00 0.00 33.50 31.87 1mfr n PRO 84 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1mfr h GLU 85 N -0.52 1.13 -6.13 0.54 4.81 -1.98 -3.44 114.58 108.99 1mfr h GLU 85 Ca -0.46 -0.07 -0.57 0.00 -0.13 0.00 0.00 59.36 58.12 1mfr h GLU 85 Cb 1.32 -0.26 -0.10 0.00 0.63 0.00 0.00 28.75 30.34 1mfr h GLU 85 CO 0.45 0.75 -0.64 1.03 -0.73 0.00 0.00 179.01 179.87 1mfr s ARG 86 N -6.08 2.13 -0.18 1.92 0.52 -1.26 -5.04 118.95 110.96 1mfr s ARG 86 Ca -0.13 -1.60 0.09 0.00 -0.52 0.00 0.00 55.73 53.58 1mfr s ARG 86 Cb 0.19 -2.02 -0.18 0.00 0.52 0.00 0.00 34.95 33.46 1mfr s ARG 86 CO 0.81 0.26 -0.05 -0.25 0.02 0.00 0.00 175.30 176.09 1mfr n ASP 87 N -0.90 1.54 -4.56 0.23 8.00 -1.26 -4.96 116.55 114.65 1mfr n ASP 87 Ca -0.05 -0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 1mfr n ASP 87 Cb 0.60 0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 41.98 1mfr n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1mfr s GLU 88 N -2.41 2.42 -0.12 -1.24 0.41 -1.26 -4.92 118.70 111.59 1mfr s GLU 88 Ca -0.17 -0.79 0.15 0.00 -0.41 0.00 0.00 54.97 53.75 1mfr s GLU 88 Cb 0.06 -2.42 0.45 0.00 -1.78 0.00 0.00 34.13 30.44 1mfr s GLU 88 CO 0.59 0.59 1.36 0.91 -0.49 0.00 0.00 175.26 178.22 1mfr n TRP 89 N 1.56 0.76 0.00 1.61 7.02 -1.26 -5.04 117.44 122.08 1mfr n TRP 89 Ca -0.16 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 55.57 1mfr n TRP 89 Cb 0.52 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 1mfr n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1mfr n GLY 90 N -0.19 1.96 2.26 6.99 0.00 -1.26 -3.56 105.19 111.39 1mfr n GLY 90 Ca 0.18 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1mfr n GLY 90 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfr n ASN 91 N 5.57 -0.89 -0.20 1.61 0.23 -1.26 -5.03 115.26 115.29 1mfr n ASN 91 Ca 0.00 -2.29 -0.05 0.00 -0.53 0.00 0.00 54.58 51.71 1mfr n ASN 91 Cb 0.00 1.68 0.12 0.00 -2.08 0.00 0.00 39.78 39.50 1mfr n ASN 91 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1mfr h THR 92 N 1.69 1.25 -0.22 5.53 2.02 -1.97 -1.61 112.91 119.59 1mfr h THR 92 Ca -0.18 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1mfr h THR 92 Cb 0.80 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1mfr h THR 92 CO 0.25 0.34 0.02 0.25 0.37 0.00 0.00 175.52 176.74 1mfr h LEU 93 N 0.96 0.37 -0.97 2.58 5.85 -1.94 -1.65 115.31 120.51 1mfr h LEU 93 Ca 0.21 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1mfr h LEU 93 Cb 0.31 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1mfr h LEU 93 CO -0.00 0.57 0.64 -0.08 -0.34 0.00 0.00 178.44 179.22 1mfr h GLU 94 N 0.16 1.28 -0.39 1.25 4.81 -1.78 -0.84 114.58 119.07 1mfr h GLU 94 Ca 0.07 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1mfr h GLU 94 Cb 0.37 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1mfr h GLU 94 CO 0.01 0.85 -0.36 0.00 -0.73 0.00 0.00 179.01 178.77 1mfr h ALA 95 N 1.35 0.62 -0.46 2.92 0.00 -1.28 -1.67 119.26 120.75 1mfr h ALA 95 Ca 0.35 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1mfr h ALA 95 Cb -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1mfr h ALA 95 CO -0.08 0.67 -0.08 0.52 0.00 0.00 0.00 179.25 180.29 1mfr h MET 96 N 0.75 0.81 -0.55 0.00 2.86 -0.99 -0.46 114.93 117.35 1mfr h MET 96 Ca 0.07 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.33 1mfr h MET 96 Cb 0.95 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1mfr h MET 96 CO 0.09 0.87 -0.11 1.96 1.06 0.00 0.00 176.91 180.78 1mfr h GLN 97 N 0.74 1.05 -0.77 1.72 4.20 -1.10 0.47 115.11 121.41 1mfr h GLN 97 Ca 0.13 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1mfr h GLN 97 Cb 0.56 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1mfr h GLN 97 CO 0.03 1.08 0.43 0.00 -0.67 0.00 0.00 178.83 179.70 1mfr h ALA 98 N 0.93 0.99 -0.49 3.87 0.00 -1.12 -2.30 119.26 121.13 1mfr h ALA 98 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1mfr h ALA 98 Cb 0.68 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mfr h ALA 98 CO 0.05 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.90 1mfr h ALA 99 N 1.22 0.65 -0.57 0.00 0.00 -0.86 -1.23 119.26 118.48 1mfr h ALA 99 Ca 0.27 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mfr h ALA 99 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1mfr h ALA 99 CO -0.04 0.37 0.35 1.25 0.00 0.00 0.00 179.25 181.17 1mfr h LEU 100 N 0.69 0.57 -0.51 0.00 5.85 -0.68 -0.09 115.31 121.13 1mfr h LEU 100 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1mfr h LEU 100 Cb 0.36 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1mfr h LEU 100 CO 0.01 0.40 0.20 1.56 -0.34 0.00 0.00 178.44 180.26 1mfr h GLN 101 N 0.69 0.77 -0.91 1.25 7.50 -1.31 -1.47 115.11 121.63 1mfr h GLN 101 Ca 0.22 -0.15 0.03 0.00 0.50 0.00 0.00 58.65 59.26 1mfr h GLN 101 Cb 0.01 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 27.36 1mfr h GLN 101 CO -0.09 0.69 0.59 1.25 -1.50 0.00 0.00 178.83 179.77 1mfr h LEU 102 N 0.69 0.98 -0.35 1.46 5.85 -0.77 0.02 115.31 123.19 1mfr h LEU 102 Ca 0.17 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1mfr h LEU 102 Cb 0.21 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1mfr h LEU 102 CO -0.01 0.67 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.93 1mfr h GLU 103 N 1.14 0.87 -0.23 1.25 4.39 -0.87 -1.91 114.58 119.21 1mfr h GLU 103 Ca 0.36 -0.52 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1mfr h GLU 103 Cb -0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1mfr h GLU 103 CO -0.12 1.16 -0.13 0.87 -1.16 0.00 0.00 179.01 179.63 1mfr h LYS 104 N 0.68 0.39 -0.07 2.33 1.57 -0.89 0.17 116.57 120.75 1mfr h LYS 104 Ca 0.03 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mfr h LYS 104 Cb 1.10 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1mfr h LYS 104 CO 0.11 0.53 0.03 1.15 -0.57 0.00 0.00 179.45 180.70 1mfr h THR 105 N 0.36 1.14 -0.74 -0.16 2.02 -0.86 0.06 112.91 114.73 1mfr h THR 105 Ca 0.07 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1mfr h THR 105 Cb 0.46 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1mfr h THR 105 CO 0.03 0.12 0.37 0.58 0.37 0.00 0.00 175.52 176.99 1mfr h VAL 106 N -0.05 1.23 -0.59 3.16 2.07 -1.10 -1.82 116.25 119.15 1mfr h VAL 106 Ca 0.02 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1mfr h VAL 106 Cb 0.17 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1mfr h VAL 106 CO -0.00 0.27 0.33 -1.13 0.02 0.00 0.00 177.57 177.06 1mfr h ASN 107 N 1.03 0.74 -0.66 0.57 -1.24 -0.47 -1.32 115.58 114.23 1mfr h ASN 107 Ca 0.26 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1mfr h ASN 107 Cb 0.09 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 1mfr h ASN 107 CO -0.04 0.61 0.30 -0.61 -1.29 0.00 0.00 177.43 176.40 1mfr h GLN 108 N 0.80 0.97 -0.83 6.67 5.75 -0.82 -0.13 115.11 127.52 1mfr h GLN 108 Ca 0.21 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1mfr h GLN 108 Cb 0.03 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 1mfr h GLN 108 CO -0.03 0.79 0.46 0.00 -2.65 0.00 0.00 178.83 177.39 1mfr h ALA 109 N 1.13 1.07 -0.57 3.38 0.00 -0.95 -0.21 119.26 123.11 1mfr h ALA 109 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1mfr h ALA 109 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1mfr h ALA 109 CO -0.02 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.70 1mfr h LEU 110 N 1.16 1.01 -0.85 0.00 3.38 -0.66 -0.95 115.31 118.41 1mfr h LEU 110 Ca 0.29 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1mfr h LEU 110 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1mfr h LEU 110 CO -0.05 1.09 0.10 -0.07 0.09 0.00 0.00 178.44 179.60 1mfr h LEU 111 N 0.91 0.91 -0.57 1.67 3.38 -0.84 -0.73 115.31 120.04 1mfr h LEU 111 Ca 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1mfr h LEU 111 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1mfr h LEU 111 CO 0.04 0.91 0.21 0.44 0.09 0.00 0.00 178.44 180.12 1mfr h ASP 112 N 0.90 0.80 -0.01 -0.43 3.32 -0.87 -0.98 116.42 119.15 1mfr h ASP 112 Ca 0.19 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1mfr h ASP 112 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1mfr h ASP 112 CO 0.01 0.76 -0.21 0.25 -1.72 0.00 0.00 179.24 178.33 1mfr h LEU 113 N 0.78 0.37 -0.52 1.55 5.85 -1.00 -1.39 115.31 120.96 1mfr h LEU 113 Ca 0.19 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1mfr h LEU 113 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1mfr h LEU 113 CO -0.01 0.60 0.09 -0.74 -0.34 0.00 0.00 178.44 178.04 1mfr h HIS 114 N 0.34 0.91 -0.63 1.25 2.76 -0.68 -1.31 115.15 117.79 1mfr h HIS 114 Ca 0.06 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1mfr h HIS 114 Cb 0.57 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1mfr h HIS 114 CO 0.01 0.82 0.27 -0.22 -1.30 0.00 0.00 177.93 177.51 1mfr h LYS 115 N 0.74 0.94 -0.68 5.26 3.11 -0.93 -0.17 116.57 124.85 1mfr h LYS 115 Ca 0.16 -0.16 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1mfr h LYS 115 Cb 0.39 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 31.43 1mfr h LYS 115 CO 0.01 0.78 0.44 1.25 -2.81 0.00 0.00 179.45 179.12 1mfr h LEU 116 N 0.89 0.75 -1.02 5.20 5.85 -1.10 0.03 115.31 125.91 1mfr h LEU 116 Ca 0.21 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1mfr h LEU 116 Cb 0.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1mfr h LEU 116 CO -0.02 0.54 -0.04 0.00 -0.34 0.00 0.00 178.44 178.58 1mfr h ALA 117 N 1.26 1.19 -0.27 1.25 0.00 -0.90 -0.45 119.26 121.34 1mfr h ALA 117 Ca 0.25 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1mfr h ALA 117 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1mfr h ALA 117 CO -0.07 0.53 -0.07 1.15 0.00 0.00 0.00 179.25 180.78 1mfr h THR 118 N 0.61 1.29 -0.69 0.00 2.02 -0.63 -0.12 112.91 115.39 1mfr h THR 118 Ca 0.12 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1mfr h THR 118 Cb 0.45 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1mfr h THR 118 CO 0.02 0.35 0.39 0.44 0.37 0.00 0.00 175.52 177.09 1mfr h ASP 119 N 0.27 0.85 -0.01 4.18 3.45 -0.75 -2.35 116.42 122.07 1mfr h ASP 119 Ca 0.07 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1mfr h ASP 119 Cb 0.55 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1mfr h ASP 119 CO 0.03 0.69 0.00 0.29 -1.57 0.00 0.00 179.24 178.68 1mfr n LYS 120 N -4.52 1.08 -3.59 3.56 4.01 -0.20 -4.93 118.16 113.57 1mfr n LYS 120 Ca 0.06 -0.11 -0.22 0.00 -0.51 0.00 0.00 58.31 57.52 1mfr n LYS 120 Cb 0.08 -1.36 0.05 0.00 -0.51 0.00 0.00 35.03 33.28 1mfr n LYS 120 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1mfr n VAL 121 N -0.74 -5.91 -3.65 -0.18 0.31 -0.75 -4.96 118.33 102.44 1mfr n VAL 121 Ca 0.17 -0.81 -0.38 0.00 -0.01 0.00 0.00 64.34 63.31 1mfr n VAL 121 Cb 0.11 -4.57 -0.09 0.00 -0.91 0.00 0.00 33.84 28.38 1mfr n VAL 121 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mfr s ASP 122 N -3.92 5.50 0.31 4.52 -1.08 -0.13 -4.94 116.67 116.93 1mfr s ASP 122 Ca 0.22 -2.66 0.01 0.00 -0.52 0.00 0.00 52.55 49.60 1mfr s ASP 122 Cb -0.06 -1.92 0.51 0.00 -1.46 0.00 0.00 42.92 39.99 1mfr s ASP 122 CO 0.81 -0.45 1.90 -0.65 0.52 0.00 0.00 175.17 177.30 1mfr h PRO 123 N 7.37 0.80 -0.59 4.34 0.11 -1.94 -2.93 132.00 139.16 1mfr h PRO 123 Ca -0.03 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 1mfr h PRO 123 Cb 0.99 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1mfr h PRO 123 CO 0.73 0.65 0.13 1.25 -0.21 0.00 0.00 178.00 180.56 1mfr h HIS 124 N 0.79 1.01 -0.02 0.65 2.76 -1.97 -1.72 115.15 116.65 1mfr h HIS 124 Ca 0.19 -0.13 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 1mfr h HIS 124 Cb 0.15 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1mfr h HIS 124 CO 0.01 0.86 -0.63 1.25 -1.30 0.00 0.00 177.93 178.12 1mfr h LEU 125 N 0.87 0.10 -0.39 0.26 5.85 -1.94 -1.86 115.31 118.20 1mfr h LEU 125 Ca 0.18 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1mfr h LEU 125 Cb 0.37 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1mfr h LEU 125 CO 0.00 0.70 0.16 0.00 -0.34 0.00 0.00 178.44 178.97 1mfr h ASP 127 N 0.48 0.85 -0.58 0.00 3.58 -1.23 -1.80 116.42 117.72 1mfr h ASP 127 Ca 0.13 -0.30 0.08 0.00 0.42 0.00 0.00 57.03 57.36 1mfr h ASP 127 Cb 0.17 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 1mfr h ASP 127 CO -0.01 0.95 0.24 0.15 -2.88 0.00 0.00 179.24 177.68 1mfr h PHE 128 N 0.74 0.42 -0.43 0.28 3.57 -1.26 0.31 116.94 120.57 1mfr h PHE 128 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1mfr h PHE 128 Cb 0.50 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1mfr h PHE 128 CO 0.04 0.14 0.08 -0.07 -2.23 0.00 0.00 178.31 176.27 1mfr h LEU 129 N 0.44 0.68 -0.25 0.59 4.07 -1.28 -1.25 115.31 118.32 1mfr h LEU 129 Ca 0.28 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1mfr h LEU 129 Cb 0.31 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1mfr h LEU 129 CO -0.26 0.76 0.10 -0.33 -1.08 0.00 0.00 178.44 177.63 1mfr h GLU 130 N 0.57 0.37 -0.10 1.13 5.08 -0.93 0.09 114.58 120.79 1mfr h GLU 130 Ca 0.13 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1mfr h GLU 130 Cb 0.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1mfr h GLU 130 CO 0.01 0.40 -0.22 0.77 -1.00 0.00 0.00 179.01 178.96 1mfr h SER 131 N 0.25 0.37 0.10 1.42 0.02 -0.99 -3.36 113.55 111.36 1mfr h SER 131 Ca 0.08 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1mfr h SER 131 Cb 0.17 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1mfr h SER 131 CO -0.01 0.87 -1.47 -0.62 -1.14 0.00 0.00 176.83 174.46 1mfr n GLU 132 N -4.50 0.37 0.00 3.45 -0.58 -0.47 -4.87 120.64 114.04 1mfr n GLU 132 Ca -0.07 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1mfr n GLU 132 Cb 0.43 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1mfr n GLU 132 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1mfr n TYR 133 N -1.96 0.00 -0.15 -0.32 4.02 -0.68 -4.77 117.16 113.31 1mfr n TYR 133 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 1mfr n TYR 133 Cb 0.47 0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.94 1mfr n TYR 133 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1mfr h LEU 134 N 0.00 0.55 -0.43 7.72 4.07 -1.15 -1.51 115.31 124.56 1mfr h LEU 134 Ca 0.00 -0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.74 1mfr h LEU 134 Cb 0.63 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1mfr h LEU 134 CO 0.00 0.46 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.36 1mfr h GLU 135 N 0.60 0.91 -0.93 1.13 4.57 -1.84 -2.84 114.58 116.18 1mfr h GLU 135 Ca 0.16 -0.47 0.11 0.00 -1.18 0.00 0.00 59.36 57.98 1mfr h GLU 135 Cb 0.01 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1mfr h GLU 135 CO -0.03 1.13 0.60 0.93 -1.18 0.00 0.00 179.01 180.46 1mfr h GLU 136 N 0.75 0.89 -0.23 1.92 4.39 -1.81 -1.75 114.58 118.74 1mfr h GLU 136 Ca 0.06 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1mfr h GLU 136 Cb 0.96 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1mfr h GLU 136 CO 0.09 0.59 -0.27 1.96 -1.16 0.00 0.00 179.01 180.22 1mfr h GLN 137 N 0.92 0.59 0.00 2.33 1.08 -1.19 -2.26 115.11 116.57 1mfr h GLN 137 Ca 0.44 -0.32 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 1mfr h GLN 137 Cb 0.45 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1mfr h GLN 137 CO -0.21 0.92 -0.42 -0.39 -0.95 0.00 0.00 178.83 177.79 1mfr h VAL 138 N 0.28 1.14 -0.09 -0.54 -1.51 -1.25 -0.53 116.25 113.75 1mfr h VAL 138 Ca 0.03 -1.50 -0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1mfr h VAL 138 Cb 0.83 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1mfr h VAL 138 CO 0.06 0.41 0.05 0.11 -1.23 0.00 0.00 177.57 176.98 1mfr h LYS 139 N 0.00 0.12 -0.43 5.19 6.56 -1.27 -1.03 116.57 125.71 1mfr h LYS 139 Ca -0.00 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.48 1mfr h LYS 139 Cb 0.81 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.43 1mfr h LYS 139 CO 0.05 0.12 -0.13 -0.44 -2.06 0.00 0.00 179.45 177.00 1mfr h ASP 140 N 0.09 0.77 -0.30 0.86 3.32 -1.10 -1.51 116.42 118.55 1mfr h ASP 140 Ca 0.03 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1mfr h ASP 140 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1mfr h ASP 140 CO -0.01 0.92 -0.12 0.40 -1.72 0.00 0.00 179.24 178.71 1mfr h ILE 141 N 0.70 1.29 -0.61 0.35 2.04 -1.01 -2.02 117.51 118.25 1mfr h ILE 141 Ca 0.12 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1mfr h ILE 141 Cb 0.61 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1mfr h ILE 141 CO 0.04 0.39 0.31 0.50 0.00 0.00 0.00 178.15 179.39 1mfr h LYS 142 N 0.37 0.85 -0.23 2.37 1.63 -1.09 -0.26 116.57 120.21 1mfr h LYS 142 Ca 0.07 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 1mfr h LYS 142 Cb 0.64 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1mfr h LYS 142 CO 0.04 0.64 -0.19 -0.09 -3.45 0.00 0.00 179.45 176.40 1mfr h ARG 143 N 0.85 0.54 -0.31 1.90 2.43 -1.14 -1.51 114.38 117.14 1mfr h ARG 143 Ca 0.22 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 1mfr h ARG 143 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1mfr h ARG 143 CO -0.03 0.85 -0.32 0.82 -1.51 0.00 0.00 179.97 179.77 1mfr h ILE 144 N 0.24 1.28 -0.07 1.20 2.04 -1.24 -1.53 117.51 119.44 1mfr h ILE 144 Ca 0.04 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.47 1mfr h ILE 144 Cb 0.73 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1mfr h ILE 144 CO 0.05 0.47 -0.08 1.23 0.00 0.00 0.00 178.15 179.82 1mfr h GLY 145 N 0.98 -0.03 0.44 5.37 0.00 -0.99 -0.44 103.07 108.41 1mfr h GLY 145 Ca 0.06 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.60 1mfr h GLY 145 CO 0.07 -0.09 0.45 -0.55 0.00 0.00 0.00 176.54 176.42 1mfr h ASP 146 N -0.11 0.62 -0.33 0.19 3.32 -1.12 -1.15 116.42 117.84 1mfr h ASP 146 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1mfr h ASP 146 Cb 0.19 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1mfr h ASP 146 CO -0.14 0.34 0.17 -0.26 -1.72 0.00 0.00 179.24 177.63 1mfr h PHE 147 N 0.74 0.47 -0.78 4.55 0.04 -0.72 -1.79 116.94 119.46 1mfr h PHE 147 Ca 0.41 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.18 1mfr h PHE 147 Cb 0.44 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1mfr h PHE 147 CO -0.07 0.40 0.50 0.82 -0.60 0.00 0.00 178.31 179.37 1mfr h ILE 148 N 0.41 1.16 -0.74 -0.55 2.04 -0.24 0.25 117.51 119.84 1mfr h ILE 148 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1mfr h ILE 148 Cb 0.10 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1mfr h ILE 148 CO -0.02 0.18 0.47 0.74 0.00 0.00 0.00 178.15 179.53 1mfr h THR 149 N 1.01 1.20 -0.02 -0.27 2.02 -1.13 -0.69 112.91 115.03 1mfr h THR 149 Ca 0.30 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.88 1mfr h THR 149 Cb -0.06 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1mfr h THR 149 CO -0.08 0.20 -0.80 0.78 0.37 0.00 0.00 175.52 175.99 1mfr h ASN 150 N 1.01 0.27 -0.42 4.18 2.35 -0.82 -1.15 115.58 121.01 1mfr h ASN 150 Ca 0.27 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1mfr h ASN 150 Cb -0.07 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1mfr h ASN 150 CO -0.05 0.96 0.18 -0.07 -1.65 0.00 0.00 177.43 176.80 1mfr h LEU 151 N 0.14 0.57 -1.20 1.61 -0.00 -0.20 -1.86 115.31 114.37 1mfr h LEU 151 Ca -0.03 -0.15 -0.06 0.00 -0.00 0.00 0.00 57.88 57.64 1mfr h LEU 151 Cb 1.39 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 1mfr h LEU 151 CO 0.12 0.57 -0.04 0.11 -0.00 0.00 0.00 178.44 179.20 1mfr h LYS 152 N 0.54 0.51 -0.75 1.13 1.57 -1.02 -1.32 116.57 117.23 1mfr h LYS 152 Ca 0.14 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1mfr h LYS 152 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1mfr h LYS 152 CO -0.01 0.56 0.29 -0.09 -0.57 0.00 0.00 179.45 179.63 1mfr h ARG 153 N 0.48 1.12 0.00 3.15 2.43 -0.93 -0.53 114.38 120.09 1mfr h ARG 153 Ca 0.10 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1mfr h ARG 153 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1mfr h ARG 153 CO 0.02 0.91 0.00 1.28 -1.51 0.00 0.00 179.97 180.67 1mfr n LEU 154 N -4.28 0.00 -3.46 3.80 4.77 -0.72 -4.88 117.00 112.22 1mfr n LEU 154 Ca 0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 1mfr n LEU 154 Cb 0.19 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1mfr n LEU 154 CO 0.41 0.00 0.04 0.61 -1.33 0.00 0.00 177.39 177.12 1mfr n GLY 155 N 0.33 -0.55 0.18 -0.72 0.00 -0.21 -4.50 105.19 99.72 1mfr n GLY 155 Ca 0.09 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1mfr n GLY 155 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mfr h LEU 156 N -1.71 0.50 -0.63 0.99 5.85 -1.41 -1.45 115.31 117.44 1mfr h LEU 156 Ca -0.60 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.02 1mfr h LEU 156 Cb 1.34 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 1mfr h LEU 156 CO 0.50 0.60 -0.01 -0.65 -0.34 0.00 0.00 178.44 178.54 1mfr h PRO 157 N 0.38 0.10 0.09 5.25 0.11 -1.92 -2.92 132.00 133.09 1mfr h PRO 157 Ca 0.11 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.98 1mfr h PRO 157 Cb 0.29 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1mfr h PRO 157 CO 0.00 0.07 -1.15 0.93 -0.21 0.00 0.00 178.00 177.64 1mfr h GLU 158 N 0.11 0.18 -6.37 1.05 3.07 -1.96 -3.46 114.58 107.20 1mfr h GLU 158 Ca 0.33 -0.31 -0.54 0.00 -0.50 0.00 0.00 59.36 58.34 1mfr h GLU 158 Cb 0.54 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.50 1mfr h GLU 158 CO -0.55 1.15 1.10 1.21 -1.40 0.00 0.00 179.01 180.52 1mfr s ASN 159 N -6.90 6.09 0.22 1.42 2.47 -0.55 -4.90 114.94 112.79 1mfr s ASN 159 Ca -0.20 0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.06 1mfr s ASN 159 Cb 0.03 -2.55 0.21 0.00 -1.45 0.00 0.00 41.25 37.49 1mfr s ASN 159 CO 0.74 -1.79 1.68 1.23 -3.72 0.00 0.00 177.10 175.23 1mfr h GLY 160 N 13.28 0.93 1.49 1.21 0.00 -1.89 -2.67 103.07 115.42 1mfr h GLY 160 Ca -0.27 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.30 1mfr h GLY 160 CO 1.22 0.65 -0.02 1.98 0.00 0.00 0.00 176.54 180.36 1mfr h MET 161 N 0.78 0.62 -0.72 4.80 1.85 -1.94 -1.87 114.93 118.44 1mfr h MET 161 Ca 0.13 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.02 1mfr h MET 161 Cb 0.59 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.51 1mfr h MET 161 CO 0.04 0.66 0.27 0.78 -0.40 0.00 0.00 176.91 178.26 1mfr h GLY 162 N 0.91 1.18 0.97 1.39 0.00 -1.73 -1.80 103.07 103.99 1mfr h GLY 162 Ca 0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1mfr h GLY 162 CO 0.02 0.62 -0.01 -2.09 0.00 0.00 0.00 176.54 175.08 1mfr h GLU 163 N 1.05 0.77 -0.40 4.80 4.81 -1.16 -2.12 114.58 122.33 1mfr h GLU 163 Ca 0.24 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1mfr h GLU 163 Cb 0.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1mfr h GLU 163 CO -0.02 0.85 0.23 -0.92 -0.73 0.00 0.00 179.01 178.42 1mfr h TYR 164 N 0.61 0.43 -0.62 0.92 3.20 -1.22 -2.64 116.97 117.65 1mfr h TYR 164 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1mfr h TYR 164 Cb 0.50 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1mfr h TYR 164 CO 0.04 0.25 0.22 -0.07 -1.64 0.00 0.00 178.16 176.95 1mfr h LEU 165 N 0.47 0.86 -0.62 2.82 3.38 -1.25 -2.74 115.31 118.22 1mfr h LEU 165 Ca 0.16 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mfr h LEU 165 Cb 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1mfr h LEU 165 CO -0.08 0.79 0.38 0.15 0.09 0.00 0.00 178.44 179.77 1mfr h PHE 166 N 0.91 0.71 -0.91 1.13 3.57 -1.16 -0.88 116.94 120.32 1mfr h PHE 166 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1mfr h PHE 166 Cb 0.23 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1mfr h PHE 166 CO 0.02 0.40 0.60 0.22 -2.23 0.00 0.00 178.31 177.32 1mfr h ASP 167 N 0.75 1.02 1.07 0.41 3.58 -1.26 -1.55 116.42 120.44 1mfr h ASP 167 Ca 0.25 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1mfr h ASP 167 Cb 0.03 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1mfr h ASP 167 CO -0.11 0.72 -0.22 0.29 -2.88 0.00 0.00 179.24 177.04 1mfr n LYS 168 N -4.42 0.17 0.00 0.28 4.76 -0.73 -4.41 118.16 113.80 1mfr n LYS 168 Ca 0.11 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1mfr n LYS 168 Cb 0.06 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1mfr n LYS 168 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1mfr n HIS 169 N -1.93 0.00 0.34 2.13 8.25 -0.41 -4.85 115.22 118.75 1mfr n HIS 169 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1mfr n HIS 169 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1mfr n HIS 169 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1mfr n SER 170 N -1.64 0.61 -0.22 0.41 7.64 -0.60 -5.07 113.62 114.74 1mfr n SER 170 Ca 0.00 0.02 0.03 0.00 1.01 0.00 0.00 58.87 59.93 1mfr n SER 170 Cb 0.35 0.80 0.02 0.00 -1.01 0.00 0.00 64.21 64.37 1mfr n SER 170 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55