#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ier s SER 2 N 0.00 6.17 0.45 -3.46 0.15 -1.26 -4.89 113.70 110.85 1ier s SER 2 Ca 0.00 2.96 0.30 0.00 0.70 0.00 0.00 55.95 59.91 1ier s SER 2 Cb 0.00 -2.66 1.14 0.00 -1.71 0.00 0.00 66.02 62.79 1ier s SER 2 CO 0.00 -0.98 1.87 0.06 1.20 0.00 0.00 173.24 175.39 1ier h GLN 3 N 2.73 0.00 0.05 5.44 3.07 -2.00 -3.16 115.11 121.23 1ier h GLN 3 Ca -0.51 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 57.90 1ier h GLN 3 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.77 1ier h GLN 3 CO 0.63 0.00 -1.92 -0.89 0.09 0.00 0.00 178.83 176.74 1ier n ILE 4 N -2.83 1.65 -1.69 1.86 -0.00 -1.26 -4.97 119.36 112.12 1ier n ILE 4 Ca 0.02 -0.74 -0.42 0.00 -0.00 0.00 0.00 62.75 61.60 1ier n ILE 4 Cb 0.31 -1.26 -0.03 0.00 -0.00 0.00 0.00 39.64 38.66 1ier n ILE 4 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1ier n ARG 5 N -3.19 2.79 -3.71 0.38 0.63 -1.20 -4.83 116.66 107.53 1ier n ARG 5 Ca -0.25 1.02 -0.11 0.00 -0.92 0.00 0.00 57.85 57.58 1ier n ARG 5 Cb 1.06 -2.91 -0.12 0.00 0.45 0.00 0.00 32.46 30.93 1ier n ARG 5 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1ier s GLN 6 N 2.81 0.31 -1.46 -0.14 0.74 -1.26 -4.92 119.66 115.74 1ier s GLN 6 Ca 0.82 0.66 -0.05 0.00 0.05 0.00 0.00 55.36 56.85 1ier s GLN 6 Cb -0.48 -0.06 0.02 0.00 1.10 0.00 0.00 33.01 33.59 1ier s GLN 6 CO 0.38 -0.16 0.41 -1.71 -0.55 0.00 0.00 175.29 173.66 1ier n ASN 7 N 4.18 -5.20 -3.94 6.67 4.05 -1.26 -4.98 115.26 114.78 1ier n ASN 7 Ca -0.24 -0.21 -0.31 0.00 0.45 0.00 0.00 54.58 54.28 1ier n ASN 7 Cb 0.54 -4.26 -0.15 0.00 1.23 0.00 0.00 39.78 37.14 1ier n ASN 7 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ier s TYR 8 N -3.02 3.23 0.80 1.20 5.04 -1.26 -4.82 117.35 118.51 1ier s TYR 8 Ca 0.24 -2.79 -0.11 0.00 -2.44 0.00 0.00 57.07 51.97 1ier s TYR 8 Cb -0.12 -2.65 0.07 0.00 0.35 0.00 0.00 41.96 39.61 1ier s TYR 8 CO 0.30 -0.89 1.09 -1.54 -1.34 0.00 0.00 175.55 173.16 1ier s SER 9 N 0.80 4.41 0.30 4.32 1.04 -1.26 -4.89 113.70 118.42 1ier s SER 9 Ca 0.12 1.52 0.11 0.00 0.48 0.00 0.00 55.95 58.19 1ier s SER 9 Cb -0.20 -2.26 0.44 0.00 0.10 0.00 0.00 66.02 64.09 1ier s SER 9 CO -0.09 -2.05 1.66 0.71 0.98 0.00 0.00 173.24 174.45 1ier h THR 10 N -1.14 1.38 -0.47 2.02 1.35 -1.99 -1.86 112.91 112.20 1ier h THR 10 Ca -0.46 -1.94 -0.04 0.00 -0.55 0.00 0.00 66.41 63.42 1ier h THR 10 Cb 1.25 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 1ier h THR 10 CO 0.56 0.55 0.15 -0.33 -0.25 0.00 0.00 175.52 176.21 1ier h GLU 11 N 0.00 0.72 -0.27 4.72 3.07 -1.99 -0.96 114.58 119.87 1ier h GLU 11 Ca -0.01 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 1ier h GLU 11 Cb 1.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1ier h GLU 11 CO 0.07 0.68 -0.05 0.28 -1.40 0.00 0.00 179.01 178.59 1ier h VAL 12 N 0.62 1.28 -0.47 3.13 2.07 -1.92 -0.44 116.25 120.51 1ier h VAL 12 Ca 0.15 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1ier h VAL 12 Cb 0.25 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1ier h VAL 12 CO -0.01 0.33 0.23 -0.08 0.02 0.00 0.00 177.57 178.07 1ier h GLU 13 N 0.28 0.44 -0.30 1.57 4.81 -1.21 0.24 114.58 120.41 1ier h GLU 13 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ier h GLU 13 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ier h GLU 13 CO 0.02 0.29 0.09 0.00 -0.73 0.00 0.00 179.01 178.68 1ier h ALA 14 N 1.26 0.39 -0.56 2.92 0.00 -1.18 -2.27 119.26 119.83 1ier h ALA 14 Ca 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ier h ALA 14 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ier h ALA 14 CO -0.15 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.44 1ier h ALA 15 N 0.92 1.49 -0.77 0.00 0.00 0.49 -1.92 119.26 119.48 1ier h ALA 15 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ier h ALA 15 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ier h ALA 15 CO -0.00 0.43 0.27 0.28 0.00 0.00 0.00 179.25 180.22 1ier h VAL 16 N 0.77 1.26 -0.35 0.00 2.07 -0.50 -0.73 116.25 118.78 1ier h VAL 16 Ca 0.20 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1ier h VAL 16 Cb 0.02 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1ier h VAL 16 CO -0.03 0.35 -0.11 0.78 0.02 0.00 0.00 177.57 178.58 1ier h ASN 17 N 1.13 0.58 -0.48 0.57 -0.26 -1.20 -0.93 115.58 114.99 1ier h ASN 17 Ca 0.25 -0.15 -0.13 0.00 -0.56 0.00 0.00 56.30 55.71 1ier h ASN 17 Cb 0.27 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1ier h ASN 17 CO -0.01 0.72 -0.19 -0.09 -1.06 0.00 0.00 177.43 176.80 1ier h ARG 18 N 0.55 0.99 0.00 0.81 1.12 -1.03 -2.48 114.38 114.33 1ier h ARG 18 Ca 0.10 -0.41 -0.08 0.00 -1.11 0.00 0.00 59.98 58.48 1ier h ARG 18 Cb 0.51 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1ier h ARG 18 CO 0.03 1.09 -0.39 1.25 -3.11 0.00 0.00 179.97 178.84 1ier h LEU 19 N 0.84 0.00 -0.14 3.80 5.85 -0.48 -1.54 115.31 123.64 1ier h LEU 19 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ier h LEU 19 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1ier h LEU 19 CO 0.06 0.39 0.04 0.58 -0.34 0.00 0.00 178.44 179.17 1ier h VAL 20 N 0.00 1.18 -0.90 1.05 2.07 -0.97 -1.09 116.25 117.59 1ier h VAL 20 Ca -0.00 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1ier h VAL 20 Cb 0.71 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1ier h VAL 20 CO 0.05 0.17 0.55 -1.13 0.02 0.00 0.00 177.57 177.23 1ier h ASN 21 N 0.05 0.81 -0.65 0.57 -1.24 -1.09 -1.32 115.58 112.72 1ier h ASN 21 Ca 0.05 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 1ier h ASN 21 Cb 0.23 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1ier h ASN 21 CO -0.00 0.47 0.08 -0.07 -1.29 0.00 0.00 177.43 176.62 1ier h LEU 22 N 0.92 1.05 -0.65 0.34 3.38 -0.70 -0.44 115.31 119.21 1ier h LEU 22 Ca 0.43 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1ier h LEU 22 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ier h LEU 22 CO -0.23 1.06 -0.12 1.88 0.09 0.00 0.00 178.44 181.12 1ier h TYR 23 N 1.00 1.04 -0.35 1.13 -1.99 -0.90 0.80 116.97 117.70 1ier h TYR 23 Ca 0.19 -0.21 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 1ier h TYR 23 Cb 0.47 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1ier h TYR 23 CO 0.03 0.99 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.83 1ier h LEU 24 N 0.83 0.75 -0.32 3.88 4.07 -1.12 0.27 115.31 123.68 1ier h LEU 24 Ca 0.13 -0.29 -0.12 0.00 0.08 0.00 0.00 57.88 57.68 1ier h LEU 24 Cb 0.65 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1ier h LEU 24 CO 0.05 0.99 -0.27 -0.09 -1.08 0.00 0.00 178.44 178.04 1ier h ARG 25 N 0.63 0.74 -0.80 1.13 2.43 -0.90 -1.09 114.38 116.51 1ier h ARG 25 Ca 0.08 -0.37 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1ier h ARG 25 Cb 0.79 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 1ier h ARG 25 CO 0.07 0.99 0.47 0.00 -1.51 0.00 0.00 179.97 179.98 1ier h ALA 26 N 0.73 1.12 -0.52 2.80 0.00 -0.16 -1.61 119.26 121.62 1ier h ALA 26 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ier h ALA 26 Cb 0.83 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ier h ALA 26 CO 0.07 0.14 0.33 1.03 0.00 0.00 0.00 179.25 180.82 1ier h SER 27 N 0.82 0.61 -0.60 0.00 0.87 -0.21 -1.81 113.55 113.22 1ier h SER 27 Ca 0.37 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1ier h SER 27 Cb 0.27 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1ier h SER 27 CO -0.21 0.46 0.30 0.22 -0.53 0.00 0.00 176.83 177.06 1ier h TYR 28 N 0.70 0.86 -0.47 2.24 3.20 -0.97 -0.89 116.97 121.63 1ier h TYR 28 Ca 0.19 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1ier h TYR 28 Cb -0.05 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.91 1ier h TYR 28 CO -0.03 0.65 0.25 1.15 -1.64 0.00 0.00 178.16 178.53 1ier h THR 29 N 0.82 0.99 0.00 1.81 2.02 -1.06 -2.30 112.91 115.19 1ier h THR 29 Ca 0.21 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1ier h THR 29 Cb 0.10 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1ier h THR 29 CO -0.03 0.09 -0.36 1.88 0.37 0.00 0.00 175.52 177.48 1ier h TYR 30 N 0.49 0.00 -0.39 3.16 0.05 -0.94 0.43 116.97 119.78 1ier h TYR 30 Ca 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1ier h TYR 30 Cb 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1ier h TYR 30 CO -0.09 0.36 0.15 1.25 -1.05 0.00 0.00 178.16 178.77 1ier h LEU 31 N 0.00 0.54 0.10 3.88 5.85 -0.85 0.36 115.31 125.20 1ier h LEU 31 Ca -0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ier h LEU 31 Cb 0.66 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ier h LEU 31 CO 0.05 0.57 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.39 1ier h SER 32 N 0.48 -0.11 -0.49 1.25 0.87 -0.92 -1.12 113.55 113.51 1ier h SER 32 Ca 0.13 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1ier h SER 32 Cb 0.20 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 1ier h SER 32 CO -0.01 -0.01 0.12 -0.07 -0.53 0.00 0.00 176.83 176.33 1ier h LEU 33 N -0.21 0.05 -0.26 2.23 -0.00 -0.81 -2.17 115.31 114.15 1ier h LEU 33 Ca -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1ier h LEU 33 Cb 0.17 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1ier h LEU 33 CO 0.02 0.06 0.15 1.23 -0.00 0.00 0.00 178.44 179.90 1ier h GLY 34 N 0.26 0.37 2.00 0.83 0.00 -0.65 -3.07 103.07 102.82 1ier h GLY 34 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1ier h GLY 34 CO -0.30 0.15 -0.29 0.74 0.00 0.00 0.00 176.54 176.84 1ier h PHE 35 N 0.32 0.00 -0.62 5.60 0.04 -1.09 -2.61 116.94 118.58 1ier h PHE 35 Ca 0.09 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1ier h PHE 35 Cb 0.02 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1ier h PHE 35 CO -0.05 0.29 0.22 -0.92 -0.60 0.00 0.00 178.31 177.25 1ier h TYR 36 N 0.00 0.93 -0.00 -0.55 3.20 -1.30 -2.64 116.97 116.61 1ier h TYR 36 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ier h TYR 36 Cb 0.87 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ier h TYR 36 CO 0.00 0.73 -0.02 1.19 -1.64 0.00 0.00 178.16 178.42 1ier n PHE 37 N -4.30 0.00 1.08 -3.82 3.72 -1.00 -2.18 117.46 110.96 1ier n PHE 37 Ca 0.05 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.57 1ier n PHE 37 Cb 0.19 -0.16 0.19 0.00 -0.94 0.00 0.00 39.48 38.76 1ier n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ier n ASP 38 N -1.06 0.96 -4.75 4.37 2.03 -1.00 -1.11 116.55 116.00 1ier n ASP 38 Ca 0.18 -0.75 -0.42 0.00 0.52 0.00 0.00 54.79 54.32 1ier n ASP 38 Cb 0.21 0.38 -0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1ier n ASP 38 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ier n ARG 39 N -1.04 2.48 0.26 -0.67 1.74 -0.93 -4.69 116.66 113.81 1ier n ARG 39 Ca 0.08 0.87 0.11 0.00 -0.77 0.00 0.00 57.85 58.14 1ier n ARG 39 Cb 0.36 -2.55 0.72 0.00 -1.02 0.00 0.00 32.46 29.97 1ier n ARG 39 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1ier h ASP 40 N 2.88 0.00 -0.17 0.55 2.03 -1.92 0.62 116.42 120.40 1ier h ASP 40 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1ier h ASP 40 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1ier h ASP 40 CO 0.64 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 178.05 1ier n ASP 41 N -3.89 1.68 0.02 4.15 5.75 -1.26 -4.30 116.55 118.70 1ier n ASP 41 Ca -0.02 -1.72 -0.02 0.00 -0.01 0.00 0.00 54.79 53.02 1ier n ASP 41 Cb 0.19 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1ier n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ier n VAL 42 N 0.34 0.90 -3.54 2.12 0.31 0.04 -5.07 118.33 113.43 1ier n VAL 42 Ca 0.16 0.24 -0.23 0.00 -0.01 0.00 0.00 64.34 64.49 1ier n VAL 42 Cb 0.33 -1.63 0.05 0.00 -0.91 0.00 0.00 33.84 31.68 1ier n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ier n ALA 43 N -3.46 -2.39 -3.69 3.52 0.00 0.19 -4.96 120.51 109.72 1ier n ALA 43 Ca -0.03 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1ier n ALA 43 Cb 0.22 -4.14 -0.12 0.00 0.00 0.00 0.00 19.45 15.42 1ier n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ier s LEU 44 N -6.16 3.07 0.22 0.00 1.43 -0.27 -4.95 118.68 112.02 1ier s LEU 44 Ca 0.35 -3.15 -0.09 0.00 -1.03 0.00 0.00 54.13 50.21 1ier s LEU 44 Cb -0.09 -1.08 0.34 0.00 0.03 0.00 0.00 46.19 45.38 1ier s LEU 44 CO 0.81 -0.18 1.69 -0.08 0.23 0.00 0.00 176.35 178.81 1ier h GLU 45 N 6.00 0.21 -0.54 1.70 4.81 -1.93 -1.03 114.58 123.80 1ier h GLU 45 Ca 0.11 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1ier h GLU 45 Cb 0.87 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1ier h GLU 45 CO 0.53 0.14 0.26 0.78 -0.73 0.00 0.00 179.01 179.99 1ier h GLY 46 N 0.22 0.80 1.26 1.92 0.00 -1.91 -0.86 103.07 104.50 1ier h GLY 46 Ca 0.34 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 1ier h GLY 46 CO -0.47 0.35 -0.76 -2.08 0.00 0.00 0.00 176.54 173.58 1ier h VAL 47 N 0.75 1.29 -0.51 4.60 2.07 -1.63 -0.95 116.25 121.88 1ier h VAL 47 Ca 0.19 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.72 1ier h VAL 47 Cb 0.07 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1ier h VAL 47 CO -0.03 0.63 0.33 0.00 0.02 0.00 0.00 177.57 178.53 1ier h HIS 49 N 0.68 0.82 -0.67 0.00 3.86 -1.04 -0.73 115.15 118.07 1ier h HIS 49 Ca 0.19 -0.13 0.08 0.00 -1.16 0.00 0.00 60.37 59.36 1ier h HIS 49 Cb -0.06 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.12 1ier h HIS 49 CO -0.04 0.79 0.32 0.35 0.86 0.00 0.00 177.93 180.21 1ier h PHE 50 N 0.61 0.58 0.00 2.45 3.57 -0.78 -1.25 116.94 122.12 1ier h PHE 50 Ca 0.13 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 1ier h PHE 50 Cb 0.43 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1ier h PHE 50 CO 0.03 0.21 -0.76 0.74 -2.23 0.00 0.00 178.31 176.30 1ier h PHE 51 N 0.56 0.00 -0.01 0.41 0.04 -1.08 -2.89 116.94 113.97 1ier h PHE 51 Ca 0.32 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.91 1ier h PHE 51 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1ier h PHE 51 CO -0.12 0.76 -0.82 0.00 -0.60 0.00 0.00 178.31 177.54 1ier h ARG 52 N 0.00 0.18 -0.65 1.51 3.08 -0.75 -1.02 114.38 116.72 1ier h ARG 52 Ca -0.01 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1ier h ARG 52 Cb 1.52 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 1ier h ARG 52 CO 0.10 0.90 0.34 1.49 -1.07 0.00 0.00 179.97 181.73 1ier h GLU 53 N 0.11 0.92 -0.35 0.04 4.81 -1.23 -2.76 114.58 116.12 1ier h GLU 53 Ca -0.03 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1ier h GLU 53 Cb 1.42 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1ier h GLU 53 CO 0.12 0.71 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.03 1ier h LEU 54 N 0.89 0.52 -0.77 1.64 3.38 -1.25 -1.17 115.31 118.55 1ier h LEU 54 Ca 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ier h LEU 54 Cb 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ier h LEU 54 CO -0.03 0.60 0.50 0.00 0.09 0.00 0.00 178.44 179.60 1ier h ALA 55 N 1.46 0.98 -0.09 1.53 0.00 -0.99 0.04 119.26 122.19 1ier h ALA 55 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ier h ALA 55 Cb 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ier h ALA 55 CO 0.01 0.41 0.00 1.49 0.00 0.00 0.00 179.25 181.17 1ier h GLU 56 N 1.05 0.16 -0.74 0.00 4.81 -1.13 -1.56 114.58 117.18 1ier h GLU 56 Ca 0.28 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1ier h GLU 56 Cb -0.10 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 1ier h GLU 56 CO -0.06 0.41 0.44 0.93 -0.73 0.00 0.00 179.01 180.00 1ier h GLU 57 N -0.10 0.79 -0.10 1.92 5.08 -0.94 0.14 114.58 121.37 1ier h GLU 57 Ca 0.03 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1ier h GLU 57 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ier h GLU 57 CO 0.00 0.52 -0.38 0.87 -1.00 0.00 0.00 179.01 179.03 1ier h LYS 58 N 0.81 0.21 -0.53 2.33 1.79 -0.80 0.38 116.57 120.77 1ier h LYS 58 Ca 0.32 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1ier h LYS 58 Cb 0.15 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1ier h LYS 58 CO -0.17 0.56 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.64 1ier h ARG 59 N 0.18 0.95 -0.32 3.15 2.43 -0.67 -2.05 114.38 118.06 1ier h ARG 59 Ca 0.02 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1ier h ARG 59 Cb 0.75 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1ier h ARG 59 CO 0.06 0.98 -0.11 0.93 -1.51 0.00 0.00 179.97 180.32 1ier h GLU 60 N 0.82 0.54 -0.99 0.20 5.08 -0.03 -2.23 114.58 117.97 1ier h GLU 60 Ca 0.14 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1ier h GLU 60 Cb 0.58 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ier h GLU 60 CO 0.03 0.65 0.66 0.78 -1.00 0.00 0.00 179.01 180.13 1ier h GLY 61 N 0.93 1.41 1.04 -3.84 0.00 -0.27 -2.21 103.07 100.13 1ier h GLY 61 Ca 0.09 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1ier h GLY 61 CO 0.03 0.49 -0.34 0.00 0.00 0.00 0.00 176.54 176.72 1ier h ALA 62 N 1.37 0.48 -0.62 3.60 0.00 -1.12 -2.42 119.26 120.56 1ier h ALA 62 Ca 0.37 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ier h ALA 62 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ier h ALA 62 CO -0.09 0.55 0.29 0.93 0.00 0.00 0.00 179.25 180.93 1ier h GLU 63 N 0.59 0.87 -0.59 0.00 5.08 -1.11 0.58 114.58 120.00 1ier h GLU 63 Ca 0.05 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1ier h GLU 63 Cb 0.92 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1ier h GLU 63 CO 0.08 0.68 0.10 0.00 -1.00 0.00 0.00 179.01 178.87 1ier h ARG 64 N 0.87 0.95 -0.20 2.33 3.08 -1.24 0.24 114.38 120.41 1ier h ARG 64 Ca 0.21 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1ier h ARG 64 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ier h ARG 64 CO -0.03 0.87 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.27 1ier h LEU 65 N 0.90 0.50 -0.56 3.04 3.38 -0.83 -1.71 115.31 120.02 1ier h LEU 65 Ca 0.19 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1ier h LEU 65 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ier h LEU 65 CO 0.01 0.85 -0.48 -0.07 0.09 0.00 0.00 178.44 178.85 1ier h LEU 66 N 0.39 0.65 -0.42 1.67 3.38 -0.09 -0.08 115.31 120.81 1ier h LEU 66 Ca 0.03 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1ier h LEU 66 Cb 0.89 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1ier h LEU 66 CO 0.07 1.02 0.09 0.50 0.09 0.00 0.00 178.44 180.22 1ier h LYS 67 N 0.48 0.67 -0.60 1.13 1.63 -0.79 -2.57 116.57 116.52 1ier h LYS 67 Ca 0.03 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 1ier h LYS 67 Cb 1.01 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 1ier h LYS 67 CO 0.09 0.69 0.08 1.98 -3.45 0.00 0.00 179.45 178.84 1ier h MET 68 N 0.53 0.99 -0.29 1.90 4.05 -0.96 -1.39 114.93 119.77 1ier h MET 68 Ca 0.13 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1ier h MET 68 Cb 0.33 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 1ier h MET 68 CO 0.00 0.93 0.03 0.37 0.23 0.00 0.00 176.91 178.47 1ier h GLN 69 N 0.93 0.13 -0.49 0.39 5.75 -0.83 -1.53 115.11 119.46 1ier h GLN 69 Ca 0.18 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1ier h GLN 69 Cb 0.43 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1ier h GLN 69 CO 0.01 0.08 0.03 -0.91 -2.65 0.00 0.00 178.83 175.40 1ier h ASN 70 N 0.13 0.75 0.06 -0.69 2.35 -1.18 -0.13 115.58 116.87 1ier h ASN 70 Ca 0.14 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1ier h ASN 70 Cb 0.16 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1ier h ASN 70 CO -0.20 0.80 -0.12 1.56 -1.65 0.00 0.00 177.43 177.81 1ier h GLN 71 N 0.74 0.16 -0.01 0.81 4.20 -0.73 -2.66 115.11 117.63 1ier h GLN 71 Ca 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ier h GLN 71 Cb 0.41 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ier h GLN 71 CO 0.01 0.29 -0.33 0.54 -0.67 0.00 0.00 178.83 178.68 1ier n ARG 72 N -4.31 0.70 -0.59 1.46 5.12 -0.62 -4.92 116.66 113.50 1ier n ARG 72 Ca -0.01 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.47 1ier n ARG 72 Cb 0.24 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1ier n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ier n GLY 73 N 1.38 0.68 3.90 -0.13 0.00 -0.99 -3.97 105.19 106.06 1ier n GLY 73 Ca 0.11 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1ier n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ier s GLY 74 N -2.18 1.62 -0.11 -0.02 0.00 -0.10 -4.63 107.32 101.91 1ier s GLY 74 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1ier s GLY 74 CO 0.00 -0.16 -0.15 0.50 0.00 0.00 0.00 173.10 173.30 1ier s ARG 75 N -5.25 3.16 0.14 2.90 1.81 -1.26 -4.29 118.95 116.15 1ier s ARG 75 Ca 0.57 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 1ier s ARG 75 Cb -0.11 -2.54 -0.07 0.00 -0.45 0.00 0.00 34.95 31.79 1ier s ARG 75 CO 0.49 0.30 1.09 0.00 -0.68 0.00 0.00 175.30 176.50 1ier s ALA 76 N 0.12 3.34 -0.09 2.13 0.00 -1.26 -4.98 121.76 121.02 1ier s ALA 76 Ca -0.07 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1ier s ALA 76 Cb -0.15 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ier s ALA 76 CO 0.05 -0.22 -0.07 -0.51 0.00 0.00 0.00 175.76 175.01 1ier s LEU 77 N 0.02 1.18 0.09 0.00 1.43 -1.26 -5.14 118.68 114.99 1ier s LEU 77 Ca 0.51 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1ier s LEU 77 Cb -0.28 -0.71 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 1ier s LEU 77 CO 0.33 -0.10 0.39 -0.36 0.23 0.00 0.00 176.35 176.84 1ier s PHE 78 N 1.46 3.55 0.43 0.29 0.08 -1.26 -4.90 117.98 117.63 1ier s PHE 78 Ca -0.01 0.73 0.05 0.00 0.12 0.00 0.00 56.93 57.83 1ier s PHE 78 Cb -0.13 -2.12 -0.06 0.00 -0.57 0.00 0.00 43.02 40.14 1ier s PHE 78 CO -0.04 0.50 0.02 -0.65 -0.10 0.00 0.00 175.22 174.94 1ier s GLN 79 N -2.08 1.99 0.36 0.44 -1.52 -1.26 -5.10 119.66 112.49 1ier s GLN 79 Ca 0.35 -2.17 -0.28 0.00 -1.95 0.00 0.00 55.36 51.31 1ier s GLN 79 Cb -0.13 -1.49 -0.10 0.00 -0.22 0.00 0.00 33.01 31.07 1ier s GLN 79 CO 0.19 -0.16 1.38 -0.51 -0.25 0.00 0.00 175.29 175.93 1ier s ASP 80 N -3.73 6.51 -0.37 5.90 1.01 -1.26 -4.97 116.67 119.77 1ier s ASP 80 Ca 0.27 2.82 -0.18 0.00 0.71 0.00 0.00 52.55 56.17 1ier s ASP 80 Cb 0.07 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1ier s ASP 80 CO 0.14 -0.73 0.50 -0.76 0.21 0.00 0.00 175.17 174.52 1ier s LEU 81 N -2.04 4.45 0.29 1.23 1.02 -1.26 -5.05 118.68 117.32 1ier s LEU 81 Ca 0.52 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 54.19 1ier s LEU 81 Cb -0.42 -2.54 -0.11 0.00 0.02 0.00 0.00 46.19 43.14 1ier s LEU 81 CO 0.56 -0.51 1.52 -1.58 0.02 0.00 0.00 176.35 176.35 1ier s GLN 82 N 2.36 4.18 0.81 1.70 2.00 -1.26 -4.98 119.66 124.48 1ier s GLN 82 Ca 0.17 2.47 -0.12 0.00 -2.00 0.00 0.00 55.36 55.88 1ier s GLN 82 Cb -0.16 -3.05 0.09 0.00 0.80 0.00 0.00 33.01 30.69 1ier s GLN 82 CO 0.14 -0.53 1.15 -1.59 -0.50 0.00 0.00 175.29 173.96 1ier s LYS 83 N -0.71 1.74 0.63 1.67 -2.85 -1.26 -4.93 119.74 114.03 1ier s LYS 83 Ca 0.60 1.52 -0.18 0.00 -1.00 0.00 0.00 55.97 56.91 1ier s LYS 83 Cb -0.45 -1.81 -0.02 0.00 -2.06 0.00 0.00 37.83 33.48 1ier s LYS 83 CO 0.48 -2.09 1.20 -2.30 0.10 0.00 0.00 175.35 172.74 1ier n PRO 84 N -3.50 1.07 0.30 1.78 -0.02 -1.26 -4.87 135.00 128.50 1ier n PRO 84 Ca 0.12 0.42 0.20 0.00 -2.02 0.00 0.00 63.50 62.21 1ier n PRO 84 Cb 0.52 -2.43 0.97 0.00 -0.02 0.00 0.00 33.50 32.54 1ier n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ier h SER 85 N 0.55 0.00 -4.69 2.55 4.64 -1.98 -3.43 113.55 111.18 1ier h SER 85 Ca -0.50 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.56 1ier h SER 85 Cb 1.35 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.25 1ier h SER 85 CO 0.52 0.00 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.67 1ier s GLN 86 N -3.91 0.67 -0.19 4.77 -0.21 -1.26 -5.05 119.66 114.47 1ier s GLN 86 Ca -0.02 -1.02 0.15 0.00 0.02 0.00 0.00 55.36 54.49 1ier s GLN 86 Cb 0.11 -0.26 -0.24 0.00 1.00 0.00 0.00 33.01 33.62 1ier s GLN 86 CO 0.46 0.02 0.10 -0.25 -2.12 0.00 0.00 175.29 173.50 1ier n ASP 87 N 0.78 0.36 -4.37 5.90 8.00 -1.26 -4.92 116.55 121.04 1ier n ASP 87 Ca -0.18 0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.04 1ier n ASP 87 Cb 0.57 0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 42.23 1ier n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ier s GLU 88 N -2.51 1.93 -0.02 -1.24 2.02 -1.26 -4.97 118.70 112.65 1ier s GLU 88 Ca -0.13 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 53.85 1ier s GLU 88 Cb 0.07 -2.05 0.06 0.00 0.10 0.00 0.00 34.13 32.31 1ier s GLU 88 CO 0.80 0.53 1.04 0.91 0.02 0.00 0.00 175.26 178.56 1ier n TRP 89 N 1.81 0.05 -4.51 1.61 7.02 -1.26 -5.09 117.44 117.07 1ier n TRP 89 Ca -0.17 -0.57 0.00 0.00 -1.02 0.00 0.00 57.50 55.75 1ier n TRP 89 Cb 0.52 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 1ier n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ier n GLY 90 N -0.54 1.53 3.93 6.99 0.00 -1.26 -3.34 105.19 112.50 1ier n GLY 90 Ca 0.03 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 1ier n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ier s THR 91 N 0.00 2.72 0.37 2.61 2.01 -1.26 -4.89 115.64 117.20 1ier s THR 91 Ca 0.00 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.81 1ier s THR 91 Cb 0.00 -3.13 0.29 0.00 0.01 0.00 0.00 72.50 69.67 1ier s THR 91 CO 0.00 -0.13 1.97 0.74 -0.69 0.00 0.00 174.62 176.51 1ier h THR 92 N -0.38 1.02 -0.24 -0.82 2.02 -1.98 0.18 112.91 112.72 1ier h THR 92 Ca -0.44 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1ier h THR 92 Cb 1.30 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1ier h THR 92 CO 0.59 0.13 -0.03 0.25 0.37 0.00 0.00 175.52 176.84 1ier h LEU 93 N 0.73 0.43 -0.04 2.58 7.12 -1.94 0.14 115.31 124.34 1ier h LEU 93 Ca 0.30 -0.34 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1ier h LEU 93 Cb 0.24 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1ier h LEU 93 CO -0.10 0.67 0.02 0.44 -0.13 0.00 0.00 178.44 179.34 1ier h ASP 94 N 0.19 0.04 -0.56 1.25 3.32 -1.65 -0.82 116.42 118.19 1ier h ASP 94 Ca 0.06 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1ier h ASP 94 Cb 0.46 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1ier h ASP 94 CO 0.02 0.12 0.20 0.00 -1.72 0.00 0.00 179.24 177.86 1ier h ALA 95 N 0.92 1.22 -0.22 3.45 0.00 -0.50 -1.74 119.26 122.39 1ier h ALA 95 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1ier h ALA 95 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ier h ALA 95 CO -0.00 0.55 -0.36 1.98 0.00 0.00 0.00 179.25 181.42 1ier h MET 96 N 0.87 0.48 -0.14 0.00 1.85 -0.48 0.06 114.93 117.58 1ier h MET 96 Ca 0.20 -0.22 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 1ier h MET 96 Cb 0.24 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.26 1ier h MET 96 CO -0.01 0.77 -0.04 0.87 -0.40 0.00 0.00 176.91 178.10 1ier h LYS 97 N 0.41 0.27 -0.84 0.39 1.57 -1.02 -0.84 116.57 116.51 1ier h LYS 97 Ca 0.04 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ier h LYS 97 Cb 0.82 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1ier h LYS 97 CO 0.07 0.57 0.53 0.00 -0.57 0.00 0.00 179.45 180.05 1ier h ALA 98 N 0.69 1.12 -0.63 3.86 0.00 -1.15 -2.51 119.26 120.65 1ier h ALA 98 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ier h ALA 98 Cb 0.48 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ier h ALA 98 CO 0.02 0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.79 1ier h ALA 99 N 1.37 1.15 -0.02 0.00 0.00 -0.78 -2.05 119.26 118.92 1ier h ALA 99 Ca 0.35 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1ier h ALA 99 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ier h ALA 99 CO -0.14 0.59 -0.67 0.97 0.00 0.00 0.00 179.25 180.00 1ier h ILE 100 N 0.93 1.45 -0.14 0.00 2.10 -0.83 0.93 117.51 121.94 1ier h ILE 100 Ca 0.21 -2.22 -0.18 0.00 1.08 0.00 0.00 64.86 63.74 1ier h ILE 100 Cb 0.28 2.18 -0.00 0.00 -1.09 0.00 0.00 36.82 38.19 1ier h ILE 100 CO -0.01 0.64 -0.67 -0.37 -1.08 0.00 0.00 178.15 176.67 1ier h VAL 101 N 0.07 1.33 -0.35 2.19 -1.51 -1.31 -0.01 116.25 116.66 1ier h VAL 101 Ca -0.01 -1.96 0.04 0.00 -1.23 0.00 0.00 66.70 63.54 1ier h VAL 101 Cb 1.19 1.94 -0.04 0.00 -2.13 0.00 0.00 31.29 32.25 1ier h VAL 101 CO 0.09 0.61 0.13 0.25 -1.23 0.00 0.00 177.57 177.41 1ier h LEU 102 N 0.41 0.14 -0.86 4.19 5.85 -1.00 -0.98 115.31 123.05 1ier h LEU 102 Ca -0.02 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1ier h LEU 102 Cb 1.24 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1ier h LEU 102 CO 0.12 0.12 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.73 1ier h GLU 103 N 0.28 0.51 -0.37 1.25 4.39 -0.46 -2.28 114.58 117.90 1ier h GLU 103 Ca 0.16 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1ier h GLU 103 Cb 0.13 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1ier h GLU 103 CO -0.16 0.75 -0.15 0.87 -1.16 0.00 0.00 179.01 179.16 1ier h LYS 104 N 0.44 0.66 -0.06 2.33 1.57 -0.55 -1.19 116.57 119.77 1ier h LYS 104 Ca 0.06 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1ier h LYS 104 Cb 0.73 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1ier h LYS 104 CO 0.06 0.78 -0.11 0.77 -0.57 0.00 0.00 179.45 180.37 1ier h SER 105 N 0.60 -0.34 -0.77 0.86 0.02 -0.84 0.33 113.55 113.41 1ier h SER 105 Ca 0.10 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1ier h SER 105 Cb 0.59 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1ier h SER 105 CO 0.04 -0.15 0.49 -0.07 -1.14 0.00 0.00 176.83 175.99 1ier h LEU 106 N -0.16 0.92 -0.66 5.07 3.38 -1.18 -1.94 115.31 120.73 1ier h LEU 106 Ca 0.06 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1ier h LEU 106 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ier h LEU 106 CO -0.16 0.69 -0.54 -1.13 0.09 0.00 0.00 178.44 177.39 1ier h ASN 107 N 1.06 0.40 -0.68 -0.43 -0.00 -0.99 -1.23 115.58 113.72 1ier h ASN 107 Ca 0.28 -0.21 -0.08 0.00 -0.00 0.00 0.00 56.30 56.29 1ier h ASN 107 Cb -0.07 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.11 1ier h ASN 107 CO -0.06 0.86 0.11 -0.61 -0.00 0.00 0.00 177.43 177.74 1ier h GLN 108 N 0.28 1.12 -0.36 6.67 5.75 -0.64 -1.67 115.11 126.26 1ier h GLN 108 Ca 0.00 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 1ier h GLN 108 Cb 1.04 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1ier h GLN 108 CO 0.09 1.02 0.04 0.00 -2.65 0.00 0.00 178.83 177.33 1ier h ALA 109 N 1.06 1.40 -0.40 3.38 0.00 -0.68 0.15 119.26 124.16 1ier h ALA 109 Ca 0.21 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ier h ALA 109 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ier h ALA 109 CO 0.01 0.43 -0.04 -0.07 0.00 0.00 0.00 179.25 179.58 1ier h LEU 110 N 0.53 0.73 -0.29 0.00 3.38 -0.75 0.20 115.31 119.10 1ier h LEU 110 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1ier h LEU 110 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ier h LEU 110 CO 0.00 0.88 0.13 -0.07 0.09 0.00 0.00 178.44 179.48 1ier h LEU 111 N 0.56 0.38 -0.19 1.67 3.38 -0.74 0.18 115.31 120.54 1ier h LEU 111 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ier h LEU 111 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ier h LEU 111 CO 0.03 0.40 0.12 0.44 0.09 0.00 0.00 178.44 179.52 1ier h ASP 112 N 0.33 0.22 -0.91 -0.43 3.32 -0.66 -1.09 116.42 117.19 1ier h ASP 112 Ca 0.10 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1ier h ASP 112 Cb 0.13 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 1ier h ASP 112 CO -0.01 0.17 0.59 0.25 -1.72 0.00 0.00 179.24 178.51 1ier h LEU 113 N 0.25 0.85 -0.20 1.55 5.85 -0.59 -2.08 115.31 120.94 1ier h LEU 113 Ca 0.07 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ier h LEU 113 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1ier h LEU 113 CO -0.01 0.51 0.05 -0.74 -0.34 0.00 0.00 178.44 177.90 1ier h HIS 114 N 0.95 0.34 -0.70 1.25 2.76 -0.81 0.47 115.15 119.41 1ier h HIS 114 Ca 0.42 -0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.68 1ier h HIS 114 Cb 0.35 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.12 1ier h HIS 114 CO -0.00 0.45 0.23 0.00 -1.30 0.00 0.00 177.93 177.31 1ier h ALA 115 N 0.86 0.93 -0.20 5.26 0.00 -0.90 0.49 119.26 125.69 1ier h ALA 115 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ier h ALA 115 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ier h ALA 115 CO 0.00 -0.25 0.12 1.25 0.00 0.00 0.00 179.25 180.37 1ier h LEU 116 N 0.37 0.25 -1.28 0.00 5.85 -1.00 0.24 115.31 119.74 1ier h LEU 116 Ca 0.38 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1ier h LEU 116 Cb 0.58 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1ier h LEU 116 CO -0.41 0.24 0.50 1.23 -0.34 0.00 0.00 178.44 179.66 1ier h GLY 117 N 0.23 1.05 0.72 3.75 0.00 -0.55 0.46 103.07 108.74 1ier h GLY 117 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1ier h GLY 117 CO -0.01 0.35 -0.04 1.76 0.00 0.00 0.00 176.54 178.59 1ier h SER 118 N 0.96 0.24 -0.46 0.19 0.02 -0.29 0.64 113.55 114.86 1ier h SER 118 Ca 0.29 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1ier h SER 118 Cb -0.02 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1ier h SER 118 CO -0.08 0.58 0.29 0.00 -1.14 0.00 0.00 176.83 176.48 1ier h ALA 119 N 0.67 1.65 -0.00 3.77 0.00 0.05 -2.17 119.26 123.23 1ier h ALA 119 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ier h ALA 119 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ier h ALA 119 CO 0.01 0.32 -0.12 1.04 0.00 0.00 0.00 179.25 180.51 1ier n GLN 120 N -4.45 0.75 -3.37 0.00 1.13 0.16 -4.96 117.38 106.63 1ier n GLN 120 Ca 0.04 -0.28 -0.17 0.00 -1.94 0.00 0.00 57.00 54.65 1ier n GLN 120 Cb 0.06 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 28.96 1ier n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ier n ALA 121 N -0.88 -2.54 -3.89 -1.58 0.00 -0.40 -4.97 120.51 106.26 1ier n ALA 121 Ca 0.15 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1ier n ALA 121 Cb 0.28 -3.86 -0.13 0.00 0.00 0.00 0.00 19.45 15.74 1ier n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ier s ASP 122 N -3.28 4.49 0.38 0.00 -1.08 0.21 -4.95 116.67 112.45 1ier s ASP 122 Ca 0.32 -3.51 0.07 0.00 -0.52 0.00 0.00 52.55 48.91 1ier s ASP 122 Cb -0.07 -1.57 0.80 0.00 -1.46 0.00 0.00 42.92 40.61 1ier s ASP 122 CO 0.79 -0.14 2.01 1.55 0.52 0.00 0.00 175.17 179.90 1ier h PRO 123 N 5.82 0.65 -0.32 4.34 0.13 -1.93 -2.80 132.00 137.88 1ier h PRO 123 Ca 0.07 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1ier h PRO 123 Cb 0.81 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1ier h PRO 123 CO 0.69 0.43 0.08 1.25 -0.23 0.00 0.00 178.00 180.21 1ier h HIS 124 N 0.67 0.54 -0.85 1.56 -0.00 -1.96 0.52 115.15 115.62 1ier h HIS 124 Ca 0.24 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1ier h HIS 124 Cb 0.11 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.32 1ier h HIS 124 CO -0.00 0.56 0.55 1.25 -0.00 0.00 0.00 177.93 180.30 1ier h LEU 125 N 0.36 0.94 -0.10 0.26 5.85 -1.91 0.32 115.31 121.02 1ier h LEU 125 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ier h LEU 125 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1ier h LEU 125 CO 0.00 0.66 0.06 0.00 -0.34 0.00 0.00 178.44 178.82 1ier h ASP 127 N 0.11 -0.08 -0.55 0.00 3.58 -0.55 -1.91 116.42 117.02 1ier h ASP 127 Ca 0.04 0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1ier h ASP 127 Cb 0.03 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1ier h ASP 127 CO -0.01 -0.02 0.31 0.15 -2.88 0.00 0.00 179.24 176.80 1ier h PHE 128 N 0.20 0.58 -0.43 0.28 3.57 -0.58 -1.71 116.94 118.85 1ier h PHE 128 Ca 0.27 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.64 1ier h PHE 128 Cb 0.39 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ier h PHE 128 CO -0.27 0.31 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.74 1ier h LEU 129 N 0.61 1.01 0.13 0.59 3.38 -0.79 -2.57 115.31 117.67 1ier h LEU 129 Ca 0.23 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1ier h LEU 129 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ier h LEU 129 CO -0.13 1.23 -0.06 -0.33 0.09 0.00 0.00 178.44 179.24 1ier h GLU 130 N 0.81 -0.17 -0.31 1.13 5.08 -1.08 -1.00 114.58 119.04 1ier h GLU 130 Ca 0.08 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1ier h GLU 130 Cb 0.90 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1ier h GLU 130 CO 0.08 0.02 0.04 0.77 -1.00 0.00 0.00 179.01 178.93 1ier h SER 131 N -0.34 0.43 0.00 1.42 0.02 -1.35 -3.33 113.55 110.40 1ier h SER 131 Ca -0.02 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ier h SER 131 Cb 0.27 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ier h SER 131 CO 0.03 0.46 -0.47 1.41 -1.14 0.00 0.00 176.83 177.12 1ier n HIS 132 N -4.33 0.00 0.00 3.45 8.25 -0.97 -4.91 115.22 116.71 1ier n HIS 132 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ier n HIS 132 Cb 0.20 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ier n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ier n PHE 133 N -1.25 0.00 0.10 4.41 3.01 -0.65 -4.73 117.46 118.35 1ier n PHE 133 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1ier n PHE 133 Cb 0.06 0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.52 1ier n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ier h LEU 134 N 0.00 -0.16 -0.52 4.37 3.38 -1.33 -0.91 115.31 120.13 1ier h LEU 134 Ca 0.00 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1ier h LEU 134 Cb 0.62 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ier h LEU 134 CO 0.00 -0.00 -0.55 -0.78 0.09 0.00 0.00 178.44 177.19 1ier h ASP 135 N -0.32 0.60 -0.86 -0.43 1.82 -1.84 -2.60 116.42 112.79 1ier h ASP 135 Ca -0.02 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1ier h ASP 135 Cb 0.25 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.05 1ier h ASP 135 CO 0.03 1.03 0.48 -0.08 -1.61 0.00 0.00 179.24 179.10 1ier h GLU 136 N 0.41 1.20 -0.26 0.28 4.81 -1.83 0.81 114.58 120.00 1ier h GLU 136 Ca 0.01 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1ier h GLU 136 Cb 1.10 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1ier h GLU 136 CO 0.10 0.87 0.13 0.93 -0.73 0.00 0.00 179.01 180.32 1ier h GLU 137 N 1.20 0.37 -0.15 1.92 4.39 -1.05 -1.07 114.58 120.19 1ier h GLU 137 Ca 0.31 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ier h GLU 137 Cb 0.02 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1ier h GLU 137 CO -0.05 0.35 0.10 0.28 -1.16 0.00 0.00 179.01 178.53 1ier h VAL 138 N 0.29 1.04 -0.98 3.13 2.07 -0.99 -0.86 116.25 119.95 1ier h VAL 138 Ca 0.09 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ier h VAL 138 Cb 0.10 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1ier h VAL 138 CO -0.01 0.04 0.65 0.11 0.02 0.00 0.00 177.57 178.38 1ier h LYS 139 N 0.21 1.27 -0.44 1.57 1.57 -0.72 -1.71 116.57 118.32 1ier h LYS 139 Ca 0.06 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1ier h LYS 139 Cb -0.02 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1ier h LYS 139 CO -0.01 0.84 -0.21 1.25 -0.57 0.00 0.00 179.45 180.75 1ier h LEU 140 N 1.31 0.95 -0.80 2.94 5.85 -0.99 -1.18 115.31 123.39 1ier h LEU 140 Ca 0.37 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1ier h LEU 140 Cb -0.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1ier h LEU 140 CO -0.09 1.14 -0.16 0.40 -0.34 0.00 0.00 178.44 179.40 1ier h ILE 141 N 0.75 1.26 -0.44 4.05 2.04 -1.05 -0.41 117.51 123.72 1ier h ILE 141 Ca 0.10 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1ier h ILE 141 Cb 0.79 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1ier h ILE 141 CO 0.06 0.41 0.02 0.50 0.00 0.00 0.00 178.15 179.15 1ier h LYS 142 N 0.65 0.77 -0.46 2.37 1.63 -1.08 -0.18 116.57 120.26 1ier h LYS 142 Ca 0.10 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1ier h LYS 142 Cb 0.64 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.13 1ier h LYS 142 CO 0.04 0.82 0.12 -0.22 -3.45 0.00 0.00 179.45 176.76 1ier h LYS 143 N 0.61 0.26 -0.62 1.90 3.64 -0.82 -0.23 116.57 121.31 1ier h LYS 143 Ca 0.13 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1ier h LYS 143 Cb 0.46 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1ier h LYS 143 CO 0.02 0.17 0.25 0.52 -2.27 0.00 0.00 179.45 178.14 1ier h MET 144 N 0.26 0.91 -0.40 1.90 2.86 -0.91 -0.55 114.93 119.01 1ier h MET 144 Ca 0.23 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ier h MET 144 Cb 0.28 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1ier h MET 144 CO -0.28 0.75 0.23 0.78 1.06 0.00 0.00 176.91 179.46 1ier h GLY 145 N 1.00 0.59 0.99 8.32 0.00 -0.69 0.02 103.07 113.31 1ier h GLY 145 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ier h GLY 145 CO -0.02 0.25 0.06 -0.55 0.00 0.00 0.00 176.54 176.28 1ier h ASP 146 N 0.52 0.11 -0.75 0.19 3.32 -0.49 -1.07 116.42 118.25 1ier h ASP 146 Ca 0.14 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.27 1ier h ASP 146 Cb 0.02 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1ier h ASP 146 CO -0.03 0.09 0.41 0.45 -1.72 0.00 0.00 179.24 178.44 1ier h HIS 147 N 0.12 0.74 -0.89 4.55 3.86 -0.96 -2.13 115.15 120.43 1ier h HIS 147 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1ier h HIS 147 Cb -0.00 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1ier h HIS 147 CO -0.07 0.30 0.56 -0.07 0.86 0.00 0.00 177.93 179.52 1ier h LEU 148 N 0.70 1.05 -0.44 2.43 3.38 -0.29 -0.14 115.31 122.00 1ier h LEU 148 Ca 0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ier h LEU 148 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ier h LEU 148 CO -0.24 0.78 0.23 0.74 0.09 0.00 0.00 178.44 180.04 1ier h THR 149 N 1.22 1.17 -0.47 0.22 2.02 -1.00 -1.35 112.91 114.71 1ier h THR 149 Ca 0.32 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1ier h THR 149 Cb -0.09 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1ier h THR 149 CO -0.07 0.18 -0.03 0.78 0.37 0.00 0.00 175.52 176.76 1ier h ASN 150 N 0.58 0.84 -0.43 4.18 4.21 -0.83 -2.18 115.58 121.94 1ier h ASN 150 Ca 0.15 -0.32 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1ier h ASN 150 Cb 0.08 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 1ier h ASN 150 CO -0.02 0.96 0.26 0.40 -1.29 0.00 0.00 177.43 177.74 1ier h ILE 151 N 0.70 1.13 -0.94 2.81 2.04 -0.97 -2.31 117.51 119.98 1ier h ILE 151 Ca 0.13 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1ier h ILE 151 Cb 0.55 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1ier h ILE 151 CO 0.03 0.14 0.62 1.56 0.00 0.00 0.00 178.15 180.50 1ier h GLN 152 N 0.57 1.24 -0.84 2.37 4.20 -1.04 0.20 115.11 121.81 1ier h GLN 152 Ca 0.15 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.88 1ier h GLN 152 Cb -0.01 -0.28 -0.07 0.00 0.30 0.00 0.00 27.48 27.42 1ier h GLN 152 CO -0.03 0.83 0.49 -0.09 -0.67 0.00 0.00 178.83 179.36 1ier h ARG 153 N 1.28 0.82 0.13 1.46 2.43 -1.22 0.23 114.38 119.51 1ier h ARG 153 Ca 0.34 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.28 1ier h ARG 153 Cb -0.14 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.24 1ier h ARG 153 CO -0.07 0.54 -0.86 -0.07 -1.51 0.00 0.00 179.97 178.00 1ier h LEU 154 N 0.84 0.43 -0.27 3.80 3.38 -0.77 -3.21 115.31 119.51 1ier h LEU 154 Ca 0.40 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1ier h LEU 154 Cb 0.33 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ier h LEU 154 CO -0.23 1.40 0.00 0.58 0.09 0.00 0.00 178.44 180.28 1ier h VAL 155 N -0.40 0.00 -0.32 1.22 2.07 -0.66 -2.44 116.25 115.72 1ier h VAL 155 Ca -0.16 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 1ier h VAL 155 Cb 1.62 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1ier h VAL 155 CO 0.13 0.00 -0.33 1.23 0.02 0.00 0.00 177.57 178.62 1ier h GLY 156 N 3.76 0.78 0.00 2.17 0.00 -0.54 -3.35 103.07 105.88 1ier h GLY 156 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1ier h GLY 156 CO 0.00 0.67 0.00 1.44 0.00 0.00 0.00 176.54 178.65 1ier n SER 157 N -4.07 0.00 -3.50 0.19 7.64 -1.07 -4.91 113.62 107.89 1ier n SER 157 Ca -0.01 0.58 -0.23 0.00 1.01 0.00 0.00 58.87 60.21 1ier n SER 157 Cb 0.49 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1ier n SER 157 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ier s GLN 158 N -1.34 0.21 0.10 1.43 -1.52 -0.94 -5.09 119.66 112.51 1ier s GLN 158 Ca 0.00 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 1ier s GLN 158 Cb 0.00 -1.12 -0.12 0.00 -0.22 0.00 0.00 33.01 31.54 1ier s GLN 158 CO 0.00 -0.91 1.49 0.00 -0.25 0.00 0.00 175.29 175.62 1ier h ALA 159 N 8.35 -0.91 -0.35 6.09 0.00 -1.76 0.42 119.26 131.11 1ier h ALA 159 Ca -0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ier h ALA 159 Cb 1.07 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1ier h ALA 159 CO 0.36 -1.05 0.19 0.78 0.00 0.00 0.00 179.25 179.53 1ier h GLY 160 N -0.61 0.52 1.02 0.00 0.00 -1.94 -1.65 103.07 100.40 1ier h GLY 160 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1ier h GLY 160 CO -0.30 0.23 0.39 -2.00 0.00 0.00 0.00 176.54 174.85 1ier h LEU 161 N 0.44 0.97 -0.44 3.11 5.85 -1.90 -2.85 115.31 120.49 1ier h LEU 161 Ca 0.12 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ier h LEU 161 Cb 0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1ier h LEU 161 CO -0.02 0.81 0.27 1.23 -0.34 0.00 0.00 178.44 180.39 1ier h GLY 162 N 1.06 0.64 1.00 3.75 0.00 0.37 -0.79 103.07 109.09 1ier h GLY 162 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ier h GLY 162 CO -0.04 0.26 0.30 -2.09 0.00 0.00 0.00 176.54 174.97 1ier h GLU 163 N 0.59 0.89 0.01 4.80 4.81 -1.28 -1.58 114.58 122.81 1ier h GLU 163 Ca 0.16 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ier h GLU 163 Cb -0.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1ier h GLU 163 CO -0.03 0.71 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.04 1ier h TYR 164 N 0.85 -0.01 -0.86 0.92 3.20 -1.18 -2.34 116.97 117.55 1ier h TYR 164 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ier h TYR 164 Cb 0.11 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1ier h TYR 164 CO 0.00 0.18 0.55 -0.07 -1.64 0.00 0.00 178.16 177.18 1ier h LEU 165 N -0.20 1.00 -0.15 2.82 4.07 -1.01 0.17 115.31 122.01 1ier h LEU 165 Ca -0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1ier h LEU 165 Cb 0.20 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1ier h LEU 165 CO 0.00 0.74 0.04 0.15 -1.08 0.00 0.00 178.44 178.29 1ier h PHE 166 N 1.17 0.24 -0.78 1.13 3.57 -1.26 1.10 116.94 122.10 1ier h PHE 166 Ca 0.31 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1ier h PHE 166 Cb -0.11 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1ier h PHE 166 CO 0.00 0.35 0.29 1.49 -2.23 0.00 0.00 178.31 178.21 1ier h GLU 167 N 0.05 1.17 0.03 1.11 4.22 -0.88 0.53 114.58 120.81 1ier h GLU 167 Ca 0.05 -0.23 -0.00 0.00 0.08 0.00 0.00 59.36 59.26 1ier h GLU 167 Cb 0.23 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ier h GLU 167 CO -0.00 0.97 -0.01 0.00 -2.18 0.00 0.00 179.01 177.78 1ier h ARG 168 N 1.14 -0.03 0.00 1.92 -0.00 -0.22 0.96 114.38 118.14 1ier h ARG 168 Ca 0.26 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.74 1ier h ARG 168 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 1ier h ARG 168 CO -0.02 0.43 -1.93 1.28 0.00 0.00 0.00 179.97 179.73 1ier n LEU 169 N -4.88 0.00 -0.12 3.04 4.77 0.37 -2.66 117.00 117.52 1ier n LEU 169 Ca -0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1ier n LEU 169 Cb 0.25 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1ier n LEU 169 CO 0.33 0.00 -1.29 0.41 -1.33 0.00 0.00 177.39 175.51 1ier n THR 170 N -2.21 1.27 0.04 -5.08 -1.04 0.12 -4.14 114.28 103.24 1ier n THR 170 Ca -0.04 -0.34 -0.18 0.00 -2.04 0.00 0.00 64.05 61.45 1ier n THR 170 Cb 0.54 -1.78 -0.14 0.00 -1.82 0.00 0.00 70.33 67.13 1ier n THR 170 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ier h LEU 171 N -0.77 0.40 -0.29 -4.42 3.38 -1.33 -2.48 115.31 109.80 1ier h LEU 171 Ca -0.58 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1ier h LEU 171 Cb 1.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1ier h LEU 171 CO -0.34 1.59 -0.23 1.17 0.09 0.00 0.00 178.44 180.73 1ier n LYS 172 N -3.44 0.60 -1.58 1.13 4.81 0.33 -4.35 118.16 115.66 1ier n LYS 172 Ca -0.23 -0.29 0.04 0.00 -0.87 0.00 0.00 58.31 56.95 1ier n LYS 172 Cb 1.05 -1.49 0.04 0.00 0.02 0.00 0.00 35.03 34.64 1ier n LYS 172 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ier n HIS 173 N -0.94 0.15 -1.24 5.64 8.25 -1.09 -4.94 115.22 121.04 1ier n HIS 173 Ca 0.12 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1ier n HIS 173 Cb 0.32 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1ier n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51