#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2m s ASN 3 N 4.75 2.19 0.31 0.00 2.20 -1.26 -4.64 114.94 118.49 2d2m s ASN 3 Ca 0.53 1.50 0.06 0.00 -0.94 0.00 0.00 52.86 54.01 2d2m s ASN 3 Cb 0.02 -2.19 0.86 0.00 -2.00 0.00 0.00 41.25 37.94 2d2m s ASN 3 CO 0.03 -3.44 1.61 0.03 -2.94 0.00 0.00 177.10 172.38 2d2m h ARG 4 N -2.10 0.09 0.16 3.55 2.47 -1.96 -0.46 114.38 116.13 2d2m h ARG 4 Ca -0.55 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 57.94 2d2m h ARG 4 Cb 1.31 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 29.63 2d2m h ARG 4 CO 0.52 0.06 -1.02 -0.07 0.56 0.00 0.00 179.97 180.02 2d2m h LEU 5 N 0.10 0.52 -2.00 3.04 3.38 -2.01 -3.23 115.31 115.11 2d2m h LEU 5 Ca 0.63 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2d2m h LEU 5 Cb 1.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2d2m h LEU 5 CO -0.78 1.48 0.00 -0.33 0.09 0.00 0.00 178.44 178.90 2d2m h GLU 6 N -0.27 0.00 -0.00 1.13 5.08 -1.71 0.23 114.58 119.03 2d2m h GLU 6 Ca -0.19 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 2d2m h GLU 6 Cb 1.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2d2m h GLU 6 CO 0.16 0.00 -0.87 1.96 -1.00 0.00 0.00 179.01 179.27 2d2m h GLN 7 N 0.00 0.24 0.27 2.33 4.20 -1.14 -3.09 115.11 117.92 2d2m h GLN 7 Ca 0.00 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2d2m h GLN 7 Cb 0.14 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2d2m h GLN 7 CO 0.00 0.97 -0.13 0.82 -0.67 0.00 0.00 178.83 179.82 2d2m h ILE 8 N 0.14 0.00 -0.98 2.54 2.04 -0.97 -0.70 117.51 119.58 2d2m h ILE 8 Ca -0.05 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.88 2d2m h ILE 8 Cb 1.49 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.44 2d2m h ILE 8 CO 0.14 0.00 -0.55 0.18 0.00 0.00 0.00 178.15 177.92 2d2m n LEU 9 N -3.05 -0.98 0.05 1.44 4.77 -1.16 -1.38 117.00 116.70 2d2m n LEU 9 Ca -0.04 1.74 -0.11 0.00 -0.03 0.00 0.00 56.01 57.56 2d2m n LEU 9 Cb 0.14 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2d2m n LEU 9 CO 0.11 -1.44 0.67 0.58 -1.33 0.00 0.00 177.39 175.98 2d2m h VAL 10 N 0.00 0.36 -0.43 4.08 2.07 -1.55 0.55 116.25 121.34 2d2m h VAL 10 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 2d2m h VAL 10 Cb 0.43 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2d2m h VAL 10 CO -0.93 0.00 0.03 0.11 0.02 0.00 0.00 177.57 176.80 2d2m h LYS 11 N -0.42 0.14 -0.59 1.57 1.57 -0.00 0.19 116.57 119.04 2d2m h LYS 11 Ca 0.07 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2d2m h LYS 11 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2d2m h LYS 11 CO -0.26 0.10 0.10 1.79 -0.57 0.00 0.00 179.45 180.60 2d2m h THR 12 N 0.15 1.26 0.00 -0.16 1.35 -0.91 -1.95 112.91 112.65 2d2m h THR 12 Ca 0.21 -0.99 -0.08 0.00 -0.55 0.00 0.00 66.41 65.01 2d2m h THR 12 Cb 0.30 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2d2m h THR 12 CO -0.33 0.36 -0.37 1.56 -0.25 0.00 0.00 175.52 176.50 2d2m h GLN 13 N 0.88 0.00 -0.12 4.72 4.20 -0.23 0.95 115.11 125.51 2d2m h GLN 13 Ca 0.18 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.66 2d2m h GLN 13 Cb 0.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.21 2d2m h GLN 13 CO 0.01 0.37 -0.84 2.35 -0.67 0.00 0.00 178.83 180.05 2d2m h TRP 14 N 0.00 1.06 -0.31 2.96 2.91 -0.44 -1.76 115.95 120.37 2d2m h TRP 14 Ca -0.00 -0.49 -0.02 0.00 1.13 0.00 0.00 58.89 59.50 2d2m h TRP 14 Cb 0.83 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 2d2m h TRP 14 CO 0.00 1.33 0.11 0.00 -1.03 0.00 0.00 178.44 178.84 2d2m h ALA 15 N 0.53 0.41 -0.03 2.65 0.00 -1.01 0.34 119.26 122.15 2d2m h ALA 15 Ca -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2d2m h ALA 15 Cb 1.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2d2m h ALA 15 CO 0.17 0.04 0.03 1.96 0.00 0.00 0.00 179.25 181.45 2d2m h GLN 16 N 0.35 0.00 0.00 0.00 4.20 -0.69 0.45 115.11 119.43 2d2m h GLN 16 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2d2m h GLN 16 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2d2m h GLN 16 CO -0.00 0.00 -0.60 -1.13 -0.67 0.00 0.00 178.83 176.42 2d2m n SER 17 N -4.03 1.35 -0.23 1.46 3.41 -0.67 -4.03 113.62 110.87 2d2m n SER 17 Ca -0.02 0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 2d2m n SER 17 Cb 0.13 -0.59 0.03 0.00 -0.26 0.00 0.00 64.21 63.51 2d2m n SER 17 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2d2m h TYR 18 N -0.60 1.15 0.29 7.33 3.20 -0.44 -0.03 116.97 127.86 2d2m h TYR 18 Ca 0.00 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 2d2m h TYR 18 Cb 0.60 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2d2m h TYR 18 CO -0.26 0.98 -0.14 0.78 -1.64 0.00 0.00 178.16 177.88 2d2m h GLY 19 N 0.98 -0.40 1.02 1.82 0.00 0.17 -3.27 103.07 103.39 2d2m h GLY 19 Ca 0.19 0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.80 2d2m h GLY 19 CO 0.02 -0.15 0.37 0.83 0.00 0.00 0.00 176.54 177.61 2d2m h GLU 20 N -0.52 0.12 -6.01 4.80 5.08 -1.17 -3.45 114.58 113.43 2d2m h GLU 20 Ca -0.04 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 2d2m h GLU 20 Cb 0.29 -0.03 0.22 0.00 0.50 0.00 0.00 28.75 29.74 2d2m h GLU 20 CO 0.06 0.08 -1.62 0.00 -1.00 0.00 0.00 179.01 176.54 2d2m n ALA 21 N -2.60 -4.67 -1.00 3.43 0.00 -0.03 -4.97 120.51 110.67 2d2m n ALA 21 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2d2m n ALA 21 Cb 0.51 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2d2m n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2d2m n GLU 22 N 2.12 0.00 -3.86 0.00 2.13 -1.26 -4.80 120.64 114.97 2d2m n GLU 22 Ca 0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.48 2d2m n GLU 22 Cb 0.53 -0.38 -0.13 0.00 0.27 0.00 0.00 31.44 31.73 2d2m n GLU 22 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2d2m s ASN 23 N -1.52 4.98 0.33 4.31 4.22 -1.26 -4.98 114.94 121.01 2d2m s ASN 23 Ca 0.00 -1.17 0.11 0.00 -2.14 0.00 0.00 52.86 49.66 2d2m s ASN 23 Cb 0.00 -1.76 0.97 0.00 1.28 0.00 0.00 41.25 41.74 2d2m s ASN 23 CO 0.00 -0.26 1.68 0.03 -2.04 0.00 0.00 177.10 176.50 2d2m h ARG 24 N 8.08 0.35 -1.08 3.55 3.08 -1.91 0.26 114.38 126.70 2d2m h ARG 24 Ca -0.23 -0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.09 2d2m h ARG 24 Cb 1.07 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.95 2d2m h ARG 24 CO 0.56 0.23 0.70 0.00 -1.07 0.00 0.00 179.97 180.39 2d2m h ALA 25 N 1.81 2.32 0.00 0.04 0.00 -1.95 2.41 119.26 123.89 2d2m h ALA 25 Ca 0.68 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.66 2d2m h ALA 25 Cb 1.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2d2m h ALA 25 CO -0.58 -0.76 -0.00 0.00 0.00 0.00 0.00 179.25 177.90 2d2m h ALA 26 N 1.62 -0.00 -0.68 0.00 0.00 -0.93 -1.48 119.26 117.79 2d2m h ALA 26 Ca 0.63 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2d2m h ALA 26 Cb 1.68 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 2d2m h ALA 26 CO -0.31 -0.02 0.31 0.35 0.00 0.00 0.00 179.25 179.57 2d2m h PHE 27 N -0.96 0.55 0.11 0.00 3.57 -0.53 0.70 116.94 120.37 2d2m h PHE 27 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2d2m h PHE 27 Cb 0.91 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2d2m h PHE 27 CO 0.25 0.18 -0.05 0.77 -2.23 0.00 0.00 178.31 177.23 2d2m h SER 28 N 0.53 -0.12 -0.74 0.41 0.02 0.39 -1.98 113.55 112.06 2d2m h SER 28 Ca 0.34 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2d2m h SER 28 Cb 0.38 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2d2m h SER 28 CO -0.28 0.12 0.49 -0.09 -1.14 0.00 0.00 176.83 175.93 2d2m h ARG 29 N -0.37 0.98 -0.93 3.45 2.43 -0.69 -2.08 114.38 117.17 2d2m h ARG 29 Ca -0.01 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2d2m h ARG 29 Cb 0.31 -0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 2d2m h ARG 29 CO 0.02 0.65 0.57 -0.44 -1.51 0.00 0.00 179.97 179.26 2d2m h ASP 30 N 1.01 0.84 0.60 -3.80 3.45 0.52 -0.94 116.42 118.10 2d2m h ASP 30 Ca 0.27 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.75 2d2m h ASP 30 Cb -0.11 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 2d2m h ASP 30 CO -0.06 0.47 -0.46 0.25 -1.57 0.00 0.00 179.24 177.87 2d2m h LEU 31 N 0.94 -1.22 -2.31 1.55 5.85 -0.63 -1.99 115.31 117.50 2d2m h LEU 31 Ca 0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.25 2d2m h LEU 31 Cb 0.40 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 2d2m h LEU 31 CO -0.25 -0.67 -0.03 -0.26 -0.34 0.00 0.00 178.44 176.90 2d2m h PHE 32 N -1.04 0.00 -0.05 1.25 0.04 -1.34 -1.13 116.94 114.68 2d2m h PHE 32 Ca -0.07 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.72 2d2m h PHE 32 Cb 0.87 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2d2m h PHE 32 CO -0.17 0.03 -0.08 1.03 -0.60 0.00 0.00 178.31 178.51 2d2m h SER 33 N 0.00 -0.24 0.75 2.17 0.87 -0.44 -2.16 113.55 114.50 2d2m h SER 33 Ca -0.00 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2d2m h SER 33 Cb 0.06 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2d2m h SER 33 CO 0.00 -0.11 -0.36 -0.08 -0.53 0.00 0.00 176.83 175.75 2d2m h GLU 34 N -0.11 -0.98 -1.05 2.24 4.57 -0.80 -1.56 114.58 116.89 2d2m h GLU 34 Ca 0.05 0.07 0.40 0.00 -1.18 0.00 0.00 59.36 58.70 2d2m h GLU 34 Cb 0.18 0.22 -0.15 0.00 -0.16 0.00 0.00 28.75 28.85 2d2m h GLU 34 CO -0.12 -0.64 0.62 -0.11 -1.18 0.00 0.00 179.01 177.58 2d2m n LEU 35 N -5.51 0.26 -0.01 1.64 7.94 -0.94 0.15 117.00 120.54 2d2m n LEU 35 Ca -0.14 1.39 -0.16 0.00 -1.11 0.00 0.00 56.01 55.99 2d2m n LEU 35 Cb 0.41 -0.68 -0.12 0.00 0.53 0.00 0.00 43.42 43.56 2d2m n LEU 35 CO 0.37 -1.54 0.31 -0.26 -1.11 0.00 0.00 177.39 175.16 2d2m h PHE 36 N 0.00 0.38 0.00 1.96 0.05 -1.07 -2.33 116.94 115.93 2d2m h PHE 36 Ca 0.78 -0.21 0.00 0.00 3.82 0.00 0.00 57.97 62.35 2d2m h PHE 36 Cb 2.26 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 40.17 2d2m h PHE 36 CO -0.01 1.04 0.00 -0.91 -0.18 0.00 0.00 178.31 178.26 2d2m h ASN 37 N -0.40 0.00 -0.01 2.17 -0.26 0.24 0.84 115.58 118.16 2d2m h ASN 37 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2d2m h ASN 37 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 2d2m h ASN 37 CO 0.08 0.00 -0.37 2.30 -1.06 0.00 0.00 177.43 178.37 2d2m n ILE 38 N -2.70 0.00 -2.73 2.81 -5.35 0.82 -4.74 119.36 107.47 2d2m n ILE 38 Ca -0.00 -0.31 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 2d2m n ILE 38 Cb 0.18 1.15 0.03 0.00 -1.74 0.00 0.00 39.64 39.26 2d2m n ILE 38 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2d2m n GLN 39 N -0.34 0.49 0.07 6.28 7.27 -0.80 -5.02 117.38 125.32 2d2m n GLN 39 Ca 0.06 -1.64 0.15 0.00 0.07 0.00 0.00 57.00 55.64 2d2m n GLN 39 Cb 0.30 -1.10 0.65 0.00 2.41 0.00 0.00 30.24 32.50 2d2m n GLN 39 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2d2m h GLY 40 N 4.46 0.08 1.45 1.69 0.00 -1.08 -1.52 103.07 108.16 2d2m h GLY 40 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2d2m h GLY 40 CO 0.05 0.02 0.23 1.48 0.00 0.00 0.00 176.54 178.32 2d2m h SER 41 N 0.06 0.00 0.42 0.19 4.64 -1.93 -1.19 113.55 115.74 2d2m h SER 41 Ca 0.18 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.27 2d2m h SER 41 Cb 0.64 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 2d2m h SER 41 CO -0.01 0.00 -1.76 -1.54 -0.87 0.00 0.00 176.83 172.64 2d2m n SER 42 N -2.41 0.59 -0.34 4.97 3.41 -0.57 -4.34 113.62 114.93 2d2m n SER 42 Ca -0.01 0.27 0.22 0.00 -0.26 0.00 0.00 58.87 59.08 2d2m n SER 42 Cb 0.26 0.46 0.45 0.00 -0.26 0.00 0.00 64.21 65.12 2d2m n SER 42 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2d2m h ARG 43 N 0.00 0.40 0.00 4.33 2.43 -1.35 1.53 114.38 121.73 2d2m h ARG 43 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2d2m h ARG 43 Cb 1.79 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 2d2m h ARG 43 CO 0.05 0.27 0.00 0.00 -1.51 0.00 0.00 179.97 178.77 2d2m n ALA 44 N -2.31 2.30 0.61 2.80 0.00 -1.26 -3.14 120.51 119.50 2d2m n ALA 44 Ca 0.30 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.75 2d2m n ALA 44 Cb 0.91 -1.47 0.34 0.00 0.00 0.00 0.00 19.45 19.22 2d2m n ALA 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2d2m n LEU 45 N -1.92 0.00 -1.51 0.00 7.94 0.52 -1.75 117.00 120.29 2d2m n LEU 45 Ca 0.06 0.35 -0.13 0.00 -1.11 0.00 0.00 56.01 55.18 2d2m n LEU 45 Cb 0.39 -0.35 0.09 0.00 0.53 0.00 0.00 43.42 44.07 2d2m n LEU 45 CO 0.29 -0.19 0.25 0.49 -1.11 0.00 0.00 177.39 177.12 2d2m n PHE 46 N -1.35 1.75 0.26 1.96 3.72 -1.19 -4.77 117.46 117.85 2d2m n PHE 46 Ca 0.06 -1.96 0.18 0.00 -0.05 0.00 0.00 57.45 55.67 2d2m n PHE 46 Cb 0.13 -0.31 0.95 0.00 -0.94 0.00 0.00 39.48 39.31 2d2m n PHE 46 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2d2m h SER 47 N 1.75 0.00 0.17 4.37 4.64 -1.54 -3.04 113.55 119.90 2d2m h SER 47 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2d2m h SER 47 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2d2m h SER 47 CO 0.49 0.00 -0.08 1.23 -0.87 0.00 0.00 176.83 177.59 2d2m h GLY 48 N 0.01 -0.24 -1.93 -0.77 0.00 -1.86 -3.36 103.07 94.92 2d2m h GLY 48 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2d2m h GLY 48 CO 0.00 -0.09 0.00 3.33 0.00 0.00 0.00 176.54 179.78 2d2m n VAL 49 N -4.60 0.20 -3.65 4.60 0.24 -1.15 -4.72 118.33 109.25 2d2m n VAL 49 Ca -0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 2d2m n VAL 49 Cb 0.09 -0.57 0.05 0.00 -1.47 0.00 0.00 33.84 31.94 2d2m n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d2m n GLY 50 N 0.85 -0.35 0.28 7.63 0.00 -1.26 -2.89 105.19 109.46 2d2m n GLY 50 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.30 2d2m n GLY 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2d2m h VAL 51 N -1.96 0.43 -1.23 1.61 -1.51 -1.81 -2.84 116.25 108.95 2d2m h VAL 51 Ca -0.60 -0.42 0.38 0.00 -1.23 0.00 0.00 66.70 64.84 2d2m h VAL 51 Cb 1.36 1.29 -0.12 0.00 -2.13 0.00 0.00 31.29 31.69 2d2m h VAL 51 CO 0.56 0.08 0.79 0.44 -1.23 0.00 0.00 177.57 178.21 2d2m h ASP 52 N 0.00 0.30 -3.03 4.19 3.45 -1.89 -3.22 116.42 116.21 2d2m h ASP 52 Ca -0.00 0.12 -0.56 0.00 0.43 0.00 0.00 57.03 57.02 2d2m h ASP 52 Cb 0.28 0.09 -0.40 0.00 -0.56 0.00 0.00 39.33 38.74 2d2m h ASP 52 CO 0.01 -0.10 -0.76 -0.62 -1.57 0.00 0.00 179.24 176.19 2d2m s ASP 53 N -4.73 3.81 0.62 6.45 2.15 -1.07 -5.00 116.67 118.90 2d2m s ASP 53 Ca -0.08 -1.48 0.39 0.00 0.43 0.00 0.00 52.55 51.81 2d2m s ASP 53 Cb 0.28 -0.68 2.07 0.00 -0.30 0.00 0.00 42.92 44.29 2d2m s ASP 53 CO 0.81 -0.42 2.26 0.24 -0.17 0.00 0.00 175.17 177.89 2d2m h MET 54 N 8.21 0.00 -0.01 4.34 2.86 -1.76 -1.18 114.93 127.39 2d2m h MET 54 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2d2m h MET 54 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2d2m h MET 54 CO 0.45 0.01 -0.02 0.09 1.06 0.00 0.00 176.91 178.51 2d2m n ASN 55 N -3.21 0.81 -4.76 1.22 3.02 -1.26 -4.16 115.26 106.91 2d2m n ASN 55 Ca -0.02 -1.19 -0.33 0.00 -0.03 0.00 0.00 54.58 53.01 2d2m n ASN 55 Cb 0.14 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.36 2d2m n ASN 55 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2d2m s SER 56 N -2.07 4.94 0.25 6.41 1.04 -0.45 -4.87 113.70 118.95 2d2m s SER 56 Ca 0.40 2.09 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 2d2m s SER 56 Cb 0.21 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 64.07 2d2m s SER 56 CO 0.37 -1.75 1.72 0.00 0.98 0.00 0.00 173.24 174.56 2d2m h ALA 57 N 0.03 1.03 0.45 5.32 0.00 -1.90 -1.29 119.26 122.90 2d2m h ALA 57 Ca -0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2d2m h ALA 57 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2d2m h ALA 57 CO 0.53 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 180.01 2d2m h ALA 58 N 1.21 -0.84 -0.33 0.00 0.00 -1.91 -0.98 119.26 116.40 2d2m h ALA 58 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2d2m h ALA 58 Cb 0.55 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2d2m h ALA 58 CO 0.03 -1.00 0.07 0.35 0.00 0.00 0.00 179.25 178.70 2d2m h PHE 59 N -0.81 0.57 -0.73 0.00 3.57 -1.40 -2.75 116.94 115.38 2d2m h PHE 59 Ca -0.04 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.45 2d2m h PHE 59 Cb 0.70 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 2d2m h PHE 59 CO -0.16 0.60 0.48 1.15 -2.23 0.00 0.00 178.31 178.14 2d2m h THR 60 N 0.38 1.00 -0.76 4.41 2.02 -1.19 0.88 112.91 119.66 2d2m h THR 60 Ca 0.10 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 67.12 2d2m h THR 60 Cb 0.32 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 2d2m h THR 60 CO 0.00 0.14 0.40 0.00 0.37 0.00 0.00 175.52 176.43 2d2m h ALA 61 N 1.61 1.06 0.11 6.16 0.00 -0.87 -2.06 119.26 125.27 2d2m h ALA 61 Ca 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2d2m h ALA 61 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2d2m h ALA 61 CO -0.11 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.34 2d2m h HIS 62 N 0.67 -0.13 -0.96 0.00 6.17 -0.77 -2.85 115.15 117.28 2d2m h HIS 62 Ca 0.37 -0.00 0.16 0.00 0.71 0.00 0.00 60.37 61.61 2d2m h HIS 62 Cb 0.38 0.04 -0.08 0.00 2.52 0.00 0.00 27.41 30.27 2d2m h HIS 62 CO -0.09 0.11 0.60 0.00 0.71 0.00 0.00 177.93 179.27 2d2m h LEU 64 N 0.74 0.40 -1.79 0.00 3.38 -1.28 -0.38 115.31 116.39 2d2m h LEU 64 Ca 0.51 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.34 2d2m h LEU 64 Cb 0.80 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2d2m h LEU 64 CO -0.27 0.50 0.29 0.03 0.09 0.00 0.00 178.44 179.08 2d2m h ARG 65 N 0.28 0.25 0.03 1.13 3.08 -1.03 0.88 114.38 119.00 2d2m h ARG 65 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2d2m h ARG 65 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2d2m h ARG 65 CO -0.00 0.17 -0.01 0.28 -1.07 0.00 0.00 179.97 179.33 2d2m h VAL 66 N 0.26 1.20 0.00 2.04 2.07 -1.04 0.55 116.25 121.32 2d2m h VAL 66 Ca 0.19 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2d2m h VAL 66 Cb 0.43 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2d2m h VAL 66 CO -0.04 0.38 -0.02 0.71 0.02 0.00 0.00 177.57 178.62 2d2m h THR 67 N -0.94 0.11 0.05 2.57 1.35 -0.81 1.67 112.91 116.91 2d2m h THR 67 Ca -0.00 -0.28 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 2d2m h THR 67 Cb 0.66 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2d2m h THR 67 CO 0.01 0.02 -0.49 1.23 -0.25 0.00 0.00 175.52 176.04 2d2m h GLY 68 N 0.89 0.28 0.80 5.82 0.00 0.86 -2.22 103.07 109.49 2d2m h GLY 68 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 2d2m h GLY 68 CO 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 176.54 176.89 2d2m h ALA 69 N 0.18 -0.45 -1.38 3.60 0.00 0.14 0.18 119.26 121.53 2d2m h ALA 69 Ca -0.07 -0.16 0.40 0.00 0.00 0.00 0.00 54.91 55.08 2d2m h ALA 69 Cb 1.29 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2d2m h ALA 69 CO 0.09 -0.65 1.01 -0.07 0.00 0.00 0.00 179.25 179.64 2d2m h LEU 70 N -0.66 0.00 0.11 0.00 3.38 0.23 0.20 115.31 118.58 2d2m h LEU 70 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2d2m h LEU 70 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2d2m h LEU 70 CO 0.08 0.00 -1.07 -1.13 0.09 0.00 0.00 178.44 176.41 2d2m h ASN 71 N 0.00 0.35 0.15 -0.43 -0.73 -0.63 -3.11 115.58 111.18 2d2m h ASN 71 Ca 0.65 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2d2m h ASN 71 Cb 2.67 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 41.15 2d2m h ASN 71 CO -0.01 1.48 0.00 -2.11 -0.37 0.00 0.00 177.43 176.42 2d2m n ARG 72 N -4.09 0.14 -0.14 6.67 1.85 0.63 -2.65 116.66 119.07 2d2m n ARG 72 Ca -0.20 0.18 -0.27 0.00 -1.00 0.00 0.00 57.85 56.56 2d2m n ARG 72 Cb 0.82 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.62 2d2m n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2d2m n LEU 73 N -1.26 2.21 -0.15 2.89 4.32 -0.67 -4.12 117.00 120.22 2d2m n LEU 73 Ca 0.04 0.22 0.09 0.00 -0.02 0.00 0.00 56.01 56.35 2d2m n LEU 73 Cb 0.07 -0.85 0.42 0.00 -1.62 0.00 0.00 43.42 41.43 2d2m n LEU 73 CO 0.07 0.66 1.20 0.40 -1.22 0.00 0.00 177.39 178.51 2d2m h ILE 74 N -0.74 0.95 0.00 -0.08 2.04 -1.43 0.25 117.51 118.49 2d2m h ILE 74 Ca -0.67 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2d2m h ILE 74 Cb 1.68 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2d2m h ILE 74 CO -0.34 0.11 0.00 0.77 0.00 0.00 0.00 178.15 178.70 2d2m h SER 75 N 0.61 0.00 -0.22 1.72 4.64 -1.74 -2.85 113.55 115.70 2d2m h SER 75 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2d2m h SER 75 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2d2m h SER 75 CO -0.11 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.52 2d2m n GLN 76 N -2.81 2.37 -0.05 4.77 -0.06 0.76 -4.53 117.38 117.83 2d2m n GLN 76 Ca 0.02 -2.10 0.21 0.00 -2.00 0.00 0.00 57.00 53.13 2d2m n GLN 76 Cb 0.37 -1.48 0.67 0.00 -4.06 0.00 0.00 30.24 25.73 2d2m n GLN 76 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2d2m h LEU 77 N 4.49 0.06 0.00 1.69 3.38 -1.02 0.27 115.31 124.18 2d2m h LEU 77 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2d2m h LEU 77 Cb 0.98 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2d2m h LEU 77 CO 0.00 0.03 -0.70 -2.24 0.09 0.00 0.00 178.44 175.62 2d2m h ASP 78 N 0.07 0.00 -2.04 -0.43 2.03 -1.83 -3.40 116.42 110.81 2d2m h ASP 78 Ca 0.30 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.91 2d2m h ASP 78 Cb 1.09 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.43 2d2m h ASP 78 CO -0.02 0.62 1.17 -1.10 -1.03 0.00 0.00 179.24 178.88 2d2m s GLN 79 N -2.90 3.76 0.07 4.15 -1.52 0.09 -4.91 119.66 118.39 2d2m s GLN 79 Ca 0.03 -1.90 -0.25 0.00 -1.95 0.00 0.00 55.36 51.28 2d2m s GLN 79 Cb 0.08 -5.06 -0.11 0.00 -0.22 0.00 0.00 33.01 27.70 2d2m s GLN 79 CO 0.77 -1.87 1.40 1.96 -0.25 0.00 0.00 175.29 177.30 2d2m h GLN 80 N 8.44 -0.54 -0.65 2.91 1.08 -1.79 0.03 115.11 124.59 2d2m h GLN 80 Ca 0.23 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.57 2d2m h GLN 80 Cb 0.97 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.45 2d2m h GLN 80 CO 1.21 -0.36 0.26 0.00 -0.95 0.00 0.00 178.83 179.00 2d2m h ALA 81 N -0.85 0.87 0.71 3.87 0.00 -1.94 -0.23 119.26 121.70 2d2m h ALA 81 Ca -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2d2m h ALA 81 Cb 0.56 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2d2m h ALA 81 CO -0.20 -0.17 -0.34 1.15 0.00 0.00 0.00 179.25 179.69 2d2m h THR 82 N 0.45 0.17 -0.13 0.00 2.02 -1.85 -2.56 112.91 111.02 2d2m h THR 82 Ca 0.33 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2d2m h THR 82 Cb 0.42 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2d2m h THR 82 CO -0.32 0.02 -0.03 -0.29 0.37 0.00 0.00 175.52 175.27 2d2m h ILE 83 N -1.14 1.11 -0.17 3.11 2.10 -0.88 -0.83 117.51 120.81 2d2m h ILE 83 Ca -0.10 -0.44 -0.00 0.00 1.08 0.00 0.00 64.86 65.40 2d2m h ILE 83 Cb 0.76 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 2d2m h ILE 83 CO 0.16 0.14 0.09 0.78 -1.08 0.00 0.00 178.15 178.24 2d2m h ASN 84 N 0.18 0.22 0.42 2.19 4.21 -1.02 0.31 115.58 122.08 2d2m h ASN 84 Ca 0.04 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 2d2m h ASN 84 Cb 0.18 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 2d2m h ASN 84 CO 0.01 0.25 -0.30 0.00 -1.29 0.00 0.00 177.43 176.10 2d2m h ALA 85 N 0.98 -0.70 -0.19 -0.83 0.00 -0.91 0.42 119.26 118.01 2d2m h ALA 85 Ca 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2d2m h ALA 85 Cb 0.08 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2d2m h ALA 85 CO -0.01 -0.92 -0.21 0.22 0.00 0.00 0.00 179.25 178.34 2d2m h ASP 86 N -0.70 -0.65 -0.93 0.00 -0.00 -1.03 -0.01 116.42 113.09 2d2m h ASP 86 Ca -0.04 0.12 0.16 0.00 -0.00 0.00 0.00 57.03 57.26 2d2m h ASP 86 Cb 0.59 0.31 -0.10 0.00 -0.00 0.00 0.00 39.33 40.14 2d2m h ASP 86 CO 0.02 -0.25 0.54 -0.07 -0.00 0.00 0.00 179.24 179.47 2d2m h LEU 87 N -0.23 0.70 -0.24 2.28 3.38 -0.10 0.17 115.31 121.27 2d2m h LEU 87 Ca 0.12 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2d2m h LEU 87 Cb 0.41 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2d2m h LEU 87 CO -0.33 0.30 0.12 0.00 0.09 0.00 0.00 178.44 178.62 2d2m h ALA 88 N 1.58 0.29 -0.23 1.53 0.00 0.85 0.41 119.26 123.70 2d2m h ALA 88 Ca 0.51 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.48 2d2m h ALA 88 Cb 0.70 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2d2m h ALA 88 CO -0.35 -0.29 -0.14 1.25 0.00 0.00 0.00 179.25 179.72 2d2m h HIS 89 N 0.25 -0.35 0.66 0.00 -0.00 0.82 -1.98 115.15 114.54 2d2m h HIS 89 Ca 0.10 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 2d2m h HIS 89 Cb 0.03 0.19 0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2d2m h HIS 89 CO -0.10 -0.21 -0.32 -0.07 -0.00 0.00 0.00 177.93 177.24 2d2m h LEU 90 N -0.13 -0.75 -1.03 0.26 3.38 -0.40 -2.40 115.31 114.24 2d2m h LEU 90 Ca 0.13 -0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.45 2d2m h LEU 90 Cb 0.32 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.11 2d2m h LEU 90 CO -0.30 -0.46 0.58 0.00 0.09 0.00 0.00 178.44 178.35 2d2m h ALA 91 N -0.76 2.07 0.00 1.53 0.00 -0.06 1.53 119.26 123.58 2d2m h ALA 91 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2d2m h ALA 91 Cb 0.71 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2d2m h ALA 91 CO 0.15 -0.74 0.00 0.78 0.00 0.00 0.00 179.25 179.44 2d2m h GLY 92 N 0.21 0.00 1.90 0.00 0.00 -1.20 -2.69 103.07 101.30 2d2m h GLY 92 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 2d2m h GLY 92 CO -0.64 0.00 -0.05 -1.06 0.00 0.00 0.00 176.54 174.79 2d2m n GLN 93 N -2.53 0.01 -0.06 4.80 6.02 0.52 -2.80 117.38 123.35 2d2m n GLN 93 Ca 0.05 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.13 2d2m n GLN 93 Cb 0.44 -1.51 0.11 0.00 1.02 0.00 0.00 30.24 30.29 2d2m n GLN 93 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2d2m n HIS 94 N -1.54 0.16 0.20 1.08 8.25 -0.91 -4.65 115.22 117.81 2d2m n HIS 94 Ca 0.07 -0.12 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 2d2m n HIS 94 Cb 0.34 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 2d2m n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d2m h ALA 95 N 3.16 -0.68 -0.09 -1.41 0.00 -1.43 -3.20 119.26 115.61 2d2m h ALA 95 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2d2m h ALA 95 Cb 0.72 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2d2m h ALA 95 CO 0.00 -0.92 -0.54 0.66 0.00 0.00 0.00 179.25 178.45 2d2m h SER 96 N -0.66 -1.71 -2.59 0.00 4.64 -1.82 -3.41 113.55 107.99 2d2m h SER 96 Ca -0.01 0.20 -0.52 0.00 -0.47 0.00 0.00 61.79 60.99 2d2m h SER 96 Cb 0.61 0.66 0.05 0.00 -0.31 0.00 0.00 62.40 63.41 2d2m h SER 96 CO -0.08 -0.50 1.07 -0.13 -0.87 0.00 0.00 176.83 176.32 2d2m s ARG 97 N -5.72 4.13 -0.67 4.77 3.00 -1.21 -4.88 118.95 118.37 2d2m s ARG 97 Ca -0.16 2.61 -0.26 0.00 0.00 0.00 0.00 55.73 57.93 2d2m s ARG 97 Cb 0.07 -3.36 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 2d2m s ARG 97 CO 0.61 -0.81 1.83 -0.80 0.00 0.00 0.00 175.30 176.13 2d2m s ASN 98 N 2.03 5.32 -0.15 0.23 0.01 -1.26 -4.95 114.94 116.18 2d2m s ASN 98 Ca 0.78 0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.02 2d2m s ASN 98 Cb -0.48 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.63 2d2m s ASN 98 CO 0.35 -2.39 -0.11 -0.76 -1.51 0.00 0.00 177.10 172.67 2d2m s LEU 99 N 8.97 2.78 0.00 0.60 1.43 -1.26 -5.12 118.68 126.08 2d2m s LEU 99 Ca 0.65 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2d2m s LEU 99 Cb -0.11 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2d2m s LEU 99 CO 0.16 0.13 0.44 -0.90 0.23 0.00 0.00 176.35 176.42 2d2m n ASP 100 N 3.75 0.62 0.03 2.29 5.68 -1.26 -5.00 116.55 122.66 2d2m n ASP 100 Ca -0.18 -1.51 0.13 0.00 -0.50 0.00 0.00 54.79 52.72 2d2m n ASP 100 Cb 0.52 -0.28 0.38 0.00 -1.14 0.00 0.00 41.12 40.60 2d2m n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2d2m n ALA 101 N -2.95 2.77 0.09 2.12 0.00 -1.26 -3.42 120.51 117.86 2d2m n ALA 101 Ca -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 2d2m n ALA 101 Cb 0.26 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2d2m n ALA 101 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d2m h SER 102 N 0.00 0.00 0.47 0.00 4.64 -1.97 -2.48 113.55 114.20 2d2m h SER 102 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2d2m h SER 102 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2d2m h SER 102 CO 0.00 0.81 -0.22 0.78 -0.87 0.00 0.00 176.83 177.32 2d2m h ASN 103 N 0.00 -0.53 -0.49 4.97 2.35 -1.95 0.23 115.58 120.15 2d2m h ASN 103 Ca -0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2d2m h ASN 103 Cb 1.54 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 40.03 2d2m h ASN 103 CO 0.11 -0.26 0.32 -0.26 -1.65 0.00 0.00 177.43 175.69 2d2m h PHE 104 N -0.80 0.62 -0.06 1.19 -1.00 -1.69 0.46 116.94 115.66 2d2m h PHE 104 Ca -0.06 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.75 2d2m h PHE 104 Cb 0.56 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 2d2m h PHE 104 CO -0.01 0.40 0.04 0.00 -1.61 0.00 0.00 178.31 177.13 2d2m h ALA 105 N 1.18 1.99 0.13 2.45 0.00 -1.36 0.01 119.26 123.66 2d2m h ALA 105 Ca 0.18 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 2d2m h ALA 105 Cb -0.07 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.75 2d2m h ALA 105 CO -0.04 -0.07 -1.27 0.00 0.00 0.00 0.00 179.25 177.87 2d2m h ALA 106 N 1.97 -0.01 -0.26 0.00 0.00 0.13 -3.05 119.26 118.04 2d2m h ALA 106 Ca 0.03 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.20 2d2m h ALA 106 Cb 0.11 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2d2m h ALA 106 CO -0.00 0.70 -0.03 1.98 0.00 0.00 0.00 179.25 181.90 2d2m h MET 107 N 0.26 0.04 -1.00 0.00 -1.53 0.16 0.11 114.93 112.97 2d2m h MET 107 Ca -0.19 -0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.14 2d2m h MET 107 Cb 1.94 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 32.91 2d2m h MET 107 CO 0.24 0.03 0.64 0.78 0.14 0.00 0.00 176.91 178.74 2d2m h GLY 108 N 0.04 1.53 1.53 1.39 0.00 -1.21 0.26 103.07 106.62 2d2m h GLY 108 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 2d2m h GLY 108 CO -0.24 0.31 -0.08 1.46 0.00 0.00 0.00 176.54 177.98 2d2m h GLN 109 N 1.13 0.57 0.15 4.80 4.20 -1.08 0.87 115.11 125.75 2d2m h GLN 109 Ca 0.44 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2d2m h GLN 109 Cb 0.22 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2d2m h GLN 109 CO -0.18 0.65 -0.07 0.00 -0.67 0.00 0.00 178.83 178.55 2d2m h ALA 110 N 1.39 -0.20 -1.01 3.87 0.00 0.15 -2.39 119.26 121.06 2d2m h ALA 110 Ca 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2d2m h ALA 110 Cb 0.46 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2d2m h ALA 110 CO 0.02 -0.43 0.67 0.28 0.00 0.00 0.00 179.25 179.79 2d2m h VAL 111 N -0.57 1.25 -0.12 0.00 2.07 -0.38 -2.47 116.25 116.04 2d2m h VAL 111 Ca -0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2d2m h VAL 111 Cb 0.43 -0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2d2m h VAL 111 CO 0.03 0.25 0.00 0.23 0.02 0.00 0.00 177.57 178.10 2d2m n MET 112 N -4.39 1.46 -0.01 1.57 2.00 0.28 -2.34 117.12 115.70 2d2m n MET 112 Ca 0.12 -0.69 0.07 0.00 0.00 0.00 0.00 57.70 57.20 2d2m n MET 112 Cb 0.02 -1.33 -0.11 0.00 0.00 0.00 0.00 33.22 31.80 2d2m n MET 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2d2m n SER 113 N -0.07 1.72 -0.07 7.83 3.41 -0.90 -4.47 113.62 121.07 2d2m n SER 113 Ca 0.14 -0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.67 2d2m n SER 113 Cb 0.22 1.62 -0.02 0.00 -0.26 0.00 0.00 64.21 65.77 2d2m n SER 113 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d2m h VAL 114 N 0.00 0.05 -0.41 -3.33 2.07 -1.44 -3.41 116.25 109.78 2d2m h VAL 114 Ca 0.00 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2d2m h VAL 114 Cb 0.63 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2d2m h VAL 114 CO 0.00 0.02 -0.53 0.58 0.02 0.00 0.00 177.57 177.66 2d2m h VAL 115 N -1.00 0.02 -1.01 2.57 2.07 -1.73 -2.75 116.25 114.43 2d2m h VAL 115 Ca -0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.73 2d2m h VAL 115 Cb 0.47 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 2d2m h VAL 115 CO -0.01 0.00 0.61 1.55 0.02 0.00 0.00 177.57 179.74 2d2m h PRO 116 N -0.38 0.62 -0.20 1.57 0.13 -1.82 -0.89 132.00 131.02 2d2m h PRO 116 Ca 0.09 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2d2m h PRO 116 Cb 0.60 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2d2m h PRO 116 CO -0.60 0.41 0.15 1.79 -0.23 0.00 0.00 178.00 179.52 2d2m h THR 117 N 0.64 0.90 -0.01 1.56 1.35 -1.72 -1.17 112.91 114.46 2d2m h THR 117 Ca 0.61 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.47 2d2m h THR 117 Cb 1.11 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2d2m h THR 117 CO -0.41 0.00 -0.01 1.41 -0.25 0.00 0.00 175.52 176.26 2d2m n HIS 118 N -4.48 0.00 -4.41 4.73 8.25 -0.34 -4.93 115.22 114.04 2d2m n HIS 118 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.20 2d2m n HIS 118 Cb 0.29 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 2d2m n HIS 118 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2d2m s LEU 119 N -2.04 2.82 -0.16 2.41 1.43 -0.44 -4.69 118.68 118.02 2d2m s LEU 119 Ca 0.42 -1.32 0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2d2m s LEU 119 Cb 0.21 -1.08 -0.27 0.00 0.03 0.00 0.00 46.19 45.09 2d2m s LEU 119 CO 0.36 -0.63 0.17 0.47 0.23 0.00 0.00 176.35 176.95 2d2m n ASP 120 N -1.20 0.07 -3.90 2.29 8.00 -1.26 -4.94 116.55 115.60 2d2m n ASP 120 Ca -0.06 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.31 2d2m n ASP 120 Cb 0.66 1.24 -0.14 0.00 -0.02 0.00 0.00 41.12 42.86 2d2m n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d2m s PHE 122 N -0.08 -1.10 -0.56 0.00 5.36 -1.26 -4.99 117.98 115.34 2d2m s PHE 122 Ca 0.00 1.91 -0.24 0.00 -0.96 0.00 0.00 56.93 57.64 2d2m s PHE 122 Cb -0.01 0.55 0.04 0.00 -0.34 0.00 0.00 43.02 43.27 2d2m s PHE 122 CO -0.00 -0.60 0.97 -0.80 -1.46 0.00 0.00 175.22 173.33 2d2m s ASN 123 N 2.76 6.34 0.00 6.13 -0.87 -1.26 -4.96 114.94 123.08 2d2m s ASN 123 Ca -0.02 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 2d2m s ASN 123 Cb -0.12 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 2d2m s ASN 123 CO -0.16 -1.27 0.74 1.67 -2.57 0.00 0.00 177.10 175.51 2d2m n GLN 124 N 7.58 0.00 0.00 -0.60 -0.06 -1.26 -2.50 117.38 120.54 2d2m n GLN 124 Ca 0.02 0.59 0.00 0.00 -2.00 0.00 0.00 57.00 55.61 2d2m n GLN 124 Cb 0.48 -1.24 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 2d2m n GLN 124 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 2d2m n HIS 125 N -1.74 0.00 -0.16 3.69 -0.00 -1.26 -1.81 115.22 113.94 2d2m n HIS 125 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2d2m n HIS 125 Cb 0.00 -0.24 0.15 0.00 -0.12 0.00 0.00 29.99 29.78 2d2m n HIS 125 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2d2m n ALA 126 N -1.86 0.26 0.31 1.57 0.00 -1.24 0.11 120.51 119.66 2d2m n ALA 126 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 2d2m n ALA 126 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 2d2m n ALA 126 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2d2m h TRP 127 N 0.00 -0.73 -0.80 0.00 4.06 -1.05 -2.53 115.95 114.90 2d2m h TRP 127 Ca 0.29 -0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.38 2d2m h TRP 127 Cb 0.62 0.24 -0.10 0.00 -1.00 0.00 0.00 29.16 28.93 2d2m h TRP 127 CO -0.22 -0.40 0.36 0.78 -3.56 0.00 0.00 178.44 175.40 2d2m h GLY 128 N -1.00 1.27 0.33 1.49 0.00 0.12 0.38 103.07 105.66 2d2m h GLY 128 Ca -0.08 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.14 2d2m h GLY 128 CO 0.13 -0.09 0.01 -2.09 0.00 0.00 0.00 176.54 174.50 2d2m h GLU 129 N 0.51 0.12 -0.02 4.80 4.57 -1.02 0.00 114.58 123.53 2d2m h GLU 129 Ca 0.45 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.39 2d2m h GLU 129 Cb 0.68 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2d2m h GLU 129 CO -0.40 0.08 -0.93 0.00 -1.18 0.00 0.00 179.01 176.57 2d2m h TYR 131 N 0.31 0.98 0.78 0.00 3.20 0.01 0.15 116.97 122.39 2d2m h TYR 131 Ca -0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2d2m h TYR 131 Cb 1.57 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2d2m h TYR 131 CO 0.07 0.59 -0.50 1.49 -1.64 0.00 0.00 178.16 178.17 2d2m h GLU 132 N 1.03 -1.16 -0.99 1.82 4.57 -0.84 1.21 114.58 120.22 2d2m h GLU 132 Ca 0.31 0.08 0.35 0.00 -1.18 0.00 0.00 59.36 58.92 2d2m h GLU 132 Cb -0.04 0.26 -0.17 0.00 -0.16 0.00 0.00 28.75 28.65 2d2m h GLU 132 CO -0.08 -0.77 0.47 -0.09 -1.18 0.00 0.00 179.01 177.36 2d2m h ARG 133 N -1.20 0.13 0.00 1.92 1.12 -0.42 0.29 114.38 116.22 2d2m h ARG 133 Ca -0.10 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2d2m h ARG 133 Cb 0.97 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2d2m h ARG 133 CO 0.09 0.09 -0.00 0.82 -3.11 0.00 0.00 179.97 177.86 2d2m h ILE 134 N 0.14 1.63 -0.42 1.20 2.04 -0.20 -3.06 117.51 118.84 2d2m h ILE 134 Ca 0.76 -2.16 0.09 0.00 1.00 0.00 0.00 64.86 64.54 2d2m h ILE 134 Cb 1.83 3.05 -0.09 0.00 -0.74 0.00 0.00 36.82 40.87 2d2m h ILE 134 CO -0.72 0.54 -0.27 0.00 0.00 0.00 0.00 178.15 177.71 2d2m h ALA 135 N -0.04 -0.03 0.24 1.87 0.00 0.35 -1.06 119.26 120.59 2d2m h ALA 135 Ca -0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2d2m h ALA 135 Cb 0.89 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2d2m h ALA 135 CO 0.00 -0.64 -0.48 0.77 0.00 0.00 0.00 179.25 178.90 2d2m h SER 136 N -0.19 -1.39 -1.20 0.00 0.02 -0.66 -1.20 113.55 108.93 2d2m h SER 136 Ca 0.19 0.14 0.36 0.00 -0.84 0.00 0.00 61.79 61.64 2d2m h SER 136 Cb 0.50 0.50 -0.11 0.00 0.14 0.00 0.00 62.40 63.43 2d2m h SER 136 CO -0.53 -0.57 0.78 1.23 -1.14 0.00 0.00 176.83 176.60 2d2m h GLY 137 N -0.80 1.20 -2.72 -3.77 0.00 -1.21 0.23 103.07 96.00 2d2m h GLY 137 Ca -0.01 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 2d2m h GLY 137 CO -0.20 -0.27 0.18 1.39 0.00 0.00 0.00 176.54 177.64 2d2m n ILE 138 N -4.64 1.83 0.16 2.60 5.41 -0.46 -4.33 119.36 119.93 2d2m n ILE 138 Ca 0.32 -0.89 0.00 0.00 1.00 0.00 0.00 62.75 63.18 2d2m n ILE 138 Cb 1.19 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 2d2m n ILE 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2d2m n SER 139 N -0.02 -2.82 0.00 4.38 3.41 0.54 -4.34 113.62 114.76 2d2m n SER 139 Ca 0.23 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2d2m n SER 139 Cb 0.94 2.77 0.00 0.00 -0.26 0.00 0.00 64.21 67.66 2d2m n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49