#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlc s VAL 2 N 0.00 3.95 0.74 3.15 1.01 -1.26 0.10 120.40 128.10 1mlc s VAL 2 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 1mlc s VAL 2 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1mlc s VAL 2 CO 0.00 -0.36 1.08 -0.36 0.00 0.00 0.00 175.10 175.46 1mlc s PHE 3 N 1.39 2.79 0.40 5.22 0.40 -0.13 -4.98 117.98 123.08 1mlc s PHE 3 Ca 0.01 1.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1mlc s PHE 3 Cb -0.21 -2.98 -0.02 0.00 0.51 0.00 0.00 43.02 40.31 1mlc s PHE 3 CO 0.02 -1.58 0.63 0.20 0.70 0.00 0.00 175.22 175.19 1mlc s GLY 4 N -3.56 1.44 0.07 4.36 0.00 -1.26 -4.74 107.32 103.63 1mlc s GLY 4 Ca 0.60 -0.89 -0.33 0.00 0.00 0.00 0.00 44.72 44.10 1mlc s GLY 4 CO 0.56 -0.78 1.62 -0.09 0.00 0.00 0.00 173.10 174.40 1mlc h ARG 5 N 0.55 -0.88 -0.00 2.90 2.43 -1.97 0.69 114.38 118.10 1mlc h ARG 5 Ca -0.48 0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 1mlc h ARG 5 Cb 1.23 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1mlc h ARG 5 CO 0.60 -0.58 -0.46 0.00 -1.51 0.00 0.00 179.97 178.01 1mlc h GLU 7 N 0.00 1.07 0.35 0.00 4.81 -1.88 -2.11 114.58 116.81 1mlc h GLU 7 Ca -0.00 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1mlc h GLU 7 Cb 0.82 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1mlc h GLU 7 CO 0.06 1.02 -0.17 1.25 -0.73 0.00 0.00 179.01 180.44 1mlc h LEU 8 N 0.97 -0.40 -0.28 1.64 5.85 -0.40 -2.72 115.31 119.97 1mlc h LEU 8 Ca 0.18 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1mlc h LEU 8 Cb 0.51 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1mlc h LEU 8 CO 0.02 0.02 -0.16 0.00 -0.34 0.00 0.00 178.44 177.98 1mlc n ALA 9 N -2.57 -0.18 -0.31 1.25 0.00 0.30 -1.42 120.51 117.57 1mlc n ALA 9 Ca -0.09 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1mlc n ALA 9 Cb 0.27 0.16 0.28 0.00 0.00 0.00 0.00 19.45 20.16 1mlc n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mlc h ALA 10 N -0.25 1.18 -0.32 0.00 0.00 -1.41 0.10 119.26 118.56 1mlc h ALA 10 Ca 0.04 0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1mlc h ALA 10 Cb 0.11 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1mlc h ALA 10 CO -0.26 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 178.39 1mlc h ALA 11 N 1.88 0.43 0.03 0.00 0.00 -0.91 -2.63 119.26 118.06 1mlc h ALA 11 Ca 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mlc h ALA 11 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1mlc h ALA 11 CO -0.79 0.26 -0.01 0.52 0.00 0.00 0.00 179.25 179.22 1mlc h MET 12 N 0.38 -0.04 -0.18 0.00 2.86 -0.34 -1.94 114.93 115.68 1mlc h MET 12 Ca 0.08 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1mlc h MET 12 Cb 0.56 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1mlc h MET 12 CO 0.03 0.02 -0.03 -0.22 1.06 0.00 0.00 176.91 177.77 1mlc h LYS 13 N -0.08 0.02 0.00 1.72 3.64 -0.79 0.13 116.57 121.20 1mlc h LYS 13 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mlc h LYS 13 Cb 0.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1mlc h LYS 13 CO 0.01 0.01 0.00 2.89 -2.27 0.00 0.00 179.45 180.09 1mlc n ARG 14 N -5.17 0.34 -0.01 1.90 1.85 -1.00 -1.73 116.66 112.84 1mlc n ARG 14 Ca -0.03 0.07 0.06 0.00 -1.00 0.00 0.00 57.85 56.95 1mlc n ARG 14 Cb 0.11 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.08 1mlc n ARG 14 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1mlc n HIS 15 N -1.14 0.04 -0.15 2.89 8.25 0.42 -5.00 115.22 120.52 1mlc n HIS 15 Ca 0.09 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1mlc n HIS 15 Cb 0.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1mlc n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mlc n GLY 16 N 0.66 0.92 0.04 -1.41 0.00 -0.71 -4.97 105.19 99.71 1mlc n GLY 16 Ca 0.07 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1mlc n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mlc n LEU 17 N 0.00 0.48 -4.65 0.99 4.77 -1.17 -4.38 117.00 113.04 1mlc n LEU 17 Ca 0.00 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 1mlc n LEU 17 Cb 0.00 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1mlc n LEU 17 CO 0.00 -0.02 1.37 -0.62 -1.33 0.00 0.00 177.39 176.79 1mlc s ASP 18 N -3.63 6.56 -1.16 -1.43 2.15 -1.26 -2.37 116.67 115.52 1mlc s ASP 18 Ca 0.10 2.01 0.00 0.00 0.43 0.00 0.00 52.55 55.09 1mlc s ASP 18 Cb 0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1mlc s ASP 18 CO 0.64 -1.05 0.00 0.59 -0.17 0.00 0.00 175.17 175.18 1mlc n ASN 19 N 7.65 -4.61 -4.73 -0.34 3.02 0.39 -4.93 115.26 111.71 1mlc n ASN 19 Ca 0.18 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 1mlc n ASN 19 Cb 0.44 -3.07 -0.03 0.00 -0.61 0.00 0.00 39.78 36.51 1mlc n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1mlc s TYR 20 N -2.31 3.17 -0.53 3.10 5.04 -1.00 -1.63 117.35 123.19 1mlc s TYR 20 Ca 0.00 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1mlc s TYR 20 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1mlc s TYR 20 CO 0.00 -2.45 0.00 0.54 -1.34 0.00 0.00 175.55 172.30 1mlc n ARG 21 N 3.21 -1.53 -0.61 4.97 5.12 -1.26 0.15 116.66 126.71 1mlc n ARG 21 Ca 0.09 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 1mlc n ARG 21 Cb 0.41 -4.52 0.00 0.00 -1.16 0.00 0.00 32.46 27.20 1mlc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mlc n GLY 22 N -0.24 0.77 3.62 -0.13 0.00 -0.65 -5.01 105.19 103.55 1mlc n GLY 22 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1mlc n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mlc s TYR 23 N -2.80 3.28 1.14 1.61 1.51 0.40 -4.83 117.35 117.66 1mlc s TYR 23 Ca 0.00 0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 56.45 1mlc s TYR 23 Cb 0.00 -2.63 0.26 0.00 -0.11 0.00 0.00 41.96 39.48 1mlc s TYR 23 CO 0.00 -0.21 1.07 0.45 -1.11 0.00 0.00 175.55 175.75 1mlc s SER 24 N 1.49 1.35 -0.06 2.29 0.15 -1.26 0.15 113.70 117.80 1mlc s SER 24 Ca 0.18 1.04 -0.24 0.00 0.70 0.00 0.00 55.95 57.63 1mlc s SER 24 Cb -0.16 -1.58 -0.19 0.00 -1.71 0.00 0.00 66.02 62.38 1mlc s SER 24 CO 0.09 -3.91 0.98 0.25 1.20 0.00 0.00 173.24 171.86 1mlc h LEU 25 N -2.43 -0.07 -0.75 3.45 6.46 -1.92 -3.21 115.31 116.84 1mlc h LEU 25 Ca -0.53 -0.54 0.30 0.00 -0.12 0.00 0.00 57.88 56.99 1mlc h LEU 25 Cb 1.33 0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 41.14 1mlc h LEU 25 CO 0.47 0.56 0.35 0.61 -0.62 0.00 0.00 178.44 179.81 1mlc n GLY 26 N 0.71 -0.62 0.40 3.75 0.00 -1.26 -0.40 105.19 107.76 1mlc n GLY 26 Ca -0.08 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 1mlc n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1mlc h ASN 27 N 0.00 -0.85 -0.88 1.61 2.35 -1.78 0.30 115.58 116.33 1mlc h ASN 27 Ca 0.61 0.03 0.14 0.00 -0.55 0.00 0.00 56.30 56.53 1mlc h ASN 27 Cb 1.59 0.23 -0.09 0.00 0.05 0.00 0.00 38.32 40.09 1mlc h ASN 27 CO -0.59 -0.59 0.48 -0.50 -1.65 0.00 0.00 177.43 174.58 1mlc h TRP 28 N -0.96 0.86 0.40 1.19 4.06 -0.87 0.58 115.95 121.21 1mlc h TRP 28 Ca -0.09 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 1mlc h TRP 28 Cb 0.74 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1mlc h TRP 28 CO -0.04 0.25 -0.19 0.28 -3.56 0.00 0.00 178.44 175.18 1mlc h VAL 29 N 0.71 0.40 -0.95 1.49 2.07 -0.97 -2.71 116.25 116.29 1mlc h VAL 29 Ca 0.47 -0.63 0.23 0.00 0.82 0.00 0.00 66.70 67.59 1mlc h VAL 29 Cb 0.61 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1mlc h VAL 29 CO -0.33 0.08 0.63 0.00 0.02 0.00 0.00 177.57 177.97 1mlc h ALA 31 N 1.60 0.16 -0.24 0.00 0.00 -0.84 -2.90 119.26 117.04 1mlc h ALA 31 Ca 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1mlc h ALA 31 Cb 1.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1mlc h ALA 31 CO -0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 179.25 178.83 1mlc h ALA 32 N 0.81 1.48 -0.50 0.00 0.00 -0.71 0.37 119.26 120.71 1mlc h ALA 32 Ca 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1mlc h ALA 32 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mlc h ALA 32 CO 0.00 0.37 -0.02 -0.22 0.00 0.00 0.00 179.25 179.38 1mlc h LYS 33 N 0.36 0.90 0.00 0.00 1.63 -1.12 -2.00 116.57 116.34 1mlc h LYS 33 Ca 0.08 -0.30 -0.21 0.00 -0.85 0.00 0.00 60.65 59.36 1mlc h LYS 33 Cb 0.31 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 1mlc h LYS 33 CO 0.01 0.94 -1.51 0.74 -3.45 0.00 0.00 179.45 176.18 1mlc h PHE 34 N 0.76 0.00 0.00 1.91 0.04 -1.29 -1.78 116.94 116.58 1mlc h PHE 34 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1mlc h PHE 34 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1mlc h PHE 34 CO 0.04 0.74 0.00 0.39 -0.60 0.00 0.00 178.31 178.88 1mlc n GLU 35 N -2.95 0.00 -0.03 1.51 -0.58 0.09 -4.69 120.64 113.99 1mlc n GLU 35 Ca -0.12 0.43 0.04 0.00 -0.42 0.00 0.00 57.16 57.08 1mlc n GLU 35 Cb 0.92 -1.23 0.05 0.00 -0.57 0.00 0.00 31.44 30.61 1mlc n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1mlc n SER 36 N -1.79 2.11 -3.80 1.62 3.41 -0.80 -4.99 113.62 109.38 1mlc n SER 36 Ca 0.00 -2.38 -0.26 0.00 -0.26 0.00 0.00 58.87 55.97 1mlc n SER 36 Cb 0.00 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1mlc n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mlc n ASN 37 N -0.83 -3.08 -2.40 4.04 5.15 -0.67 -1.10 115.26 116.36 1mlc n ASN 37 Ca 0.06 -0.79 -0.08 0.00 -0.60 0.00 0.00 54.58 53.17 1mlc n ASN 37 Cb 0.39 -4.02 -0.01 0.00 -0.53 0.00 0.00 39.78 35.62 1mlc n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1mlc n PHE 38 N -4.50 -1.56 -3.32 1.20 3.72 -1.18 -4.81 117.46 107.01 1mlc n PHE 38 Ca -0.13 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.88 1mlc n PHE 38 Cb 0.60 -2.16 -0.08 0.00 -0.94 0.00 0.00 39.48 36.89 1mlc n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mlc s ASN 39 N -2.00 6.33 0.36 4.37 3.84 -0.26 -0.95 114.94 126.63 1mlc s ASN 39 Ca 0.00 0.36 0.18 0.00 0.21 0.00 0.00 52.86 53.61 1mlc s ASN 39 Cb 0.00 -2.24 0.62 0.00 -0.55 0.00 0.00 41.25 39.08 1mlc s ASN 39 CO 0.00 -0.25 1.71 0.71 -2.79 0.00 0.00 177.10 176.48 1mlc h THR 40 N 5.41 0.89 -0.53 -5.21 1.35 0.35 -3.23 112.91 111.94 1mlc h THR 40 Ca -0.30 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1mlc h THR 40 Cb 1.15 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1mlc h THR 40 CO 0.68 0.38 0.00 0.00 -0.25 0.00 0.00 175.52 176.33 1mlc n GLN 41 N -3.51 3.60 -2.65 4.72 1.13 -1.26 -3.82 117.38 115.59 1mlc n GLN 41 Ca -0.00 -2.47 -0.33 0.00 -1.94 0.00 0.00 57.00 52.26 1mlc n GLN 41 Cb 0.53 -1.90 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 1mlc n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mlc s ALA 42 N -2.01 2.99 -0.12 -1.58 0.00 -1.22 -4.89 121.76 114.93 1mlc s ALA 42 Ca 0.44 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1mlc s ALA 42 Cb 0.30 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 20.29 1mlc s ALA 42 CO 0.18 -0.08 0.45 0.95 0.00 0.00 0.00 175.76 177.26 1mlc s THR 43 N -2.22 0.01 0.01 0.00 -4.23 -1.26 -1.81 115.64 106.15 1mlc s THR 43 Ca 0.63 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1mlc s THR 43 Cb -0.11 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1mlc s THR 43 CO 0.19 -0.07 -0.18 0.21 -0.54 0.00 0.00 174.62 174.23 1mlc s ASN 44 N -0.32 2.09 -0.08 3.99 2.47 -0.90 -4.95 114.94 117.24 1mlc s ASN 44 Ca -0.05 -0.38 -0.05 0.00 0.42 0.00 0.00 52.86 52.80 1mlc s ASN 44 Cb -0.03 -0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.52 1mlc s ASN 44 CO 0.03 0.18 0.13 -0.13 -3.72 0.00 0.00 177.10 173.58 1mlc s ARG 45 N -0.68 3.35 0.00 0.43 3.00 -1.26 -1.03 118.95 122.76 1mlc s ARG 45 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 55.73 55.55 1mlc s ARG 45 Cb -0.07 -3.09 0.00 0.00 0.00 0.00 0.00 34.95 31.78 1mlc s ARG 45 CO 0.00 0.73 0.00 0.09 0.00 0.00 0.00 175.30 176.13 1mlc n ASN 46 N 1.68 0.32 -2.48 0.23 4.13 -0.07 -4.98 115.26 114.08 1mlc n ASN 46 Ca -0.17 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 55.96 1mlc n ASN 46 Cb 0.54 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.81 1mlc n ASN 46 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1mlc n THR 47 N 0.00 1.82 -1.27 3.41 -2.24 -1.26 -4.52 114.28 110.21 1mlc n THR 47 Ca 0.00 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.15 1mlc n THR 47 Cb 0.00 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1mlc n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1mlc n ASP 48 N -0.56 0.00 0.00 3.42 5.75 -1.26 -5.00 116.55 118.90 1mlc n ASP 48 Ca 0.24 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1mlc n ASP 48 Cb 0.85 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 1mlc n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mlc n GLY 49 N 0.00 0.21 3.90 6.12 0.00 -1.26 -4.76 105.19 109.39 1mlc n GLY 49 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1mlc n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mlc s SER 50 N -1.96 6.49 0.10 1.61 1.04 -1.26 -4.33 113.70 115.38 1mlc s SER 50 Ca 0.00 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.11 1mlc s SER 50 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1mlc s SER 50 CO 0.00 0.03 -0.13 -0.89 0.98 0.00 0.00 173.24 173.22 1mlc s THR 51 N -1.70 3.14 -0.09 2.02 2.01 -1.26 -0.89 115.64 118.87 1mlc s THR 51 Ca 0.41 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1mlc s THR 51 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1mlc s THR 51 CO 0.25 0.15 0.04 -1.81 -0.69 0.00 0.00 174.62 172.55 1mlc s ASP 52 N -2.06 5.52 0.01 3.53 1.01 -0.20 -2.50 116.67 121.98 1mlc s ASP 52 Ca 0.19 0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.74 1mlc s ASP 52 Cb -0.11 -1.61 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1mlc s ASP 52 CO 0.11 0.38 -0.24 -0.31 0.21 0.00 0.00 175.17 175.32 1mlc s TYR 53 N -0.94 2.40 0.00 4.23 2.02 -0.25 -2.11 117.35 122.70 1mlc s TYR 53 Ca 0.14 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1mlc s TYR 53 Cb -0.12 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1mlc s TYR 53 CO 0.04 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1mlc n GLY 54 N 2.05 -1.25 0.38 0.71 0.00 -0.75 -1.36 105.19 104.97 1mlc n GLY 54 Ca -0.16 -1.18 0.15 0.00 0.00 0.00 0.00 46.02 44.83 1mlc n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mlc h ILE 55 N 0.00 0.79 -0.18 -0.61 2.10 -1.66 -1.76 117.51 116.19 1mlc h ILE 55 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1mlc h ILE 55 Cb 0.00 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.03 1mlc h ILE 55 CO 0.00 0.08 0.00 0.18 -1.08 0.00 0.00 178.15 177.33 1mlc n LEU 56 N -4.49 2.53 -3.73 2.19 4.77 -1.26 -3.65 117.00 113.36 1mlc n LEU 56 Ca 0.15 -1.42 -0.27 0.00 -0.03 0.00 0.00 56.01 54.44 1mlc n LEU 56 Cb 0.53 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1mlc n LEU 56 CO 0.32 0.55 -0.11 0.00 -1.33 0.00 0.00 177.39 176.83 1mlc n GLN 57 N 0.73 -2.58 -2.69 3.23 1.13 -0.60 -4.92 117.38 111.68 1mlc n GLN 57 Ca 0.10 0.50 -0.40 0.00 -1.94 0.00 0.00 57.00 55.26 1mlc n GLN 57 Cb 0.39 -4.54 -0.05 0.00 0.11 0.00 0.00 30.24 26.14 1mlc n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mlc s ILE 58 N -3.63 3.99 0.16 5.09 1.01 -0.47 -4.42 121.20 122.95 1mlc s ILE 58 Ca 0.26 1.96 -0.03 0.00 0.00 0.00 0.00 60.65 62.83 1mlc s ILE 58 Cb -0.09 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 1mlc s ILE 58 CO 0.85 0.45 0.38 0.21 0.00 0.00 0.00 174.94 176.82 1mlc s ASN 59 N -0.97 6.44 0.00 3.58 3.84 -1.26 -1.09 114.94 125.47 1mlc s ASN 59 Ca 0.43 0.51 0.26 0.00 0.21 0.00 0.00 52.86 54.26 1mlc s ASN 59 Cb -0.27 -2.06 0.60 0.00 -0.55 0.00 0.00 41.25 38.97 1mlc s ASN 59 CO 0.34 0.02 1.47 -1.54 -2.79 0.00 0.00 177.10 174.59 1mlc n SER 60 N -0.19 1.04 0.11 -4.21 3.41 -1.04 -2.63 113.62 110.11 1mlc n SER 60 Ca -0.03 -0.85 -0.06 0.00 -0.26 0.00 0.00 58.87 57.67 1mlc n SER 60 Cb 0.52 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1mlc n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1mlc h ARG 61 N 1.08 -0.35 0.08 4.33 2.43 -1.87 -3.41 114.38 116.68 1mlc h ARG 61 Ca 0.00 0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.94 1mlc h ARG 61 Cb 0.53 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1mlc h ARG 61 CO 0.00 -0.23 -1.32 -1.49 -1.51 0.00 0.00 179.97 175.42 1mlc h TRP 62 N -1.09 0.29 0.02 2.20 -0.00 -1.85 0.72 115.95 116.23 1mlc h TRP 62 Ca -0.04 -0.21 -0.29 0.00 -0.00 0.00 0.00 58.89 58.35 1mlc h TRP 62 Cb 0.28 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.39 1mlc h TRP 62 CO 0.00 1.52 -1.59 0.91 -0.00 0.00 0.00 178.44 179.27 1mlc n TRP 63 N -4.07 0.86 -4.36 0.49 7.02 -1.08 0.23 117.44 116.54 1mlc n TRP 63 Ca -0.26 0.34 -0.17 0.00 -1.02 0.00 0.00 57.50 56.38 1mlc n TRP 63 Cb 0.82 -1.09 -0.05 0.00 -2.42 0.00 0.00 31.31 28.58 1mlc n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1mlc s ASN 65 N -2.66 2.69 0.00 0.00 2.47 -0.96 -4.25 114.94 112.23 1mlc s ASN 65 Ca 0.11 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 52.87 1mlc s ASN 65 Cb 0.01 -1.08 0.00 0.00 -1.45 0.00 0.00 41.25 38.72 1mlc s ASN 65 CO 0.08 -0.10 0.85 -0.90 -3.72 0.00 0.00 177.10 173.31 1mlc n ASP 66 N 4.81 1.63 -1.22 -4.21 5.68 -1.26 -1.25 116.55 120.73 1mlc n ASP 66 Ca -0.15 -1.72 -0.12 0.00 -0.50 0.00 0.00 54.79 52.30 1mlc n ASP 66 Cb 0.49 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1mlc n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mlc n GLY 67 N -0.36 0.51 0.04 6.12 0.00 -1.26 -4.79 105.19 105.45 1mlc n GLY 67 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1mlc n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mlc n ARG 68 N -2.39 0.00 -3.63 1.61 -4.01 -1.26 -5.05 116.66 101.92 1mlc n ARG 68 Ca -0.14 -0.14 -0.39 0.00 -1.04 0.00 0.00 57.85 56.14 1mlc n ARG 68 Cb 0.52 -0.13 -0.11 0.00 -3.04 0.00 0.00 32.46 29.70 1mlc n ARG 68 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1mlc s THR 69 N 0.00 4.63 0.56 8.89 2.01 -1.26 -4.90 115.64 125.57 1mlc s THR 69 Ca 0.00 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 1mlc s THR 69 Cb 0.00 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 1mlc s THR 69 CO 0.00 -0.01 0.75 -0.81 -0.69 0.00 0.00 174.62 173.87 1mlc n PRO 70 N 4.99 0.75 -1.05 4.92 -0.04 -1.26 -3.01 135.00 140.30 1mlc n PRO 70 Ca -0.13 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1mlc n PRO 70 Cb 0.48 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 1mlc n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mlc n GLY 71 N 1.52 0.35 3.61 0.55 0.00 -1.26 -4.79 105.19 105.16 1mlc n GLY 71 Ca 0.12 -0.05 -0.51 0.00 0.00 0.00 0.00 46.02 45.58 1mlc n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mlc n SER 72 N -0.56 2.77 -0.08 1.61 2.88 -1.16 -4.73 113.62 114.35 1mlc n SER 72 Ca -0.02 0.77 -0.05 0.00 -1.33 0.00 0.00 58.87 58.24 1mlc n SER 72 Cb 0.33 -1.29 -0.16 0.00 -0.75 0.00 0.00 64.21 62.34 1mlc n SER 72 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1mlc n ARG 73 N 6.99 0.73 -3.63 -1.46 3.00 0.25 -4.99 116.66 117.54 1mlc n ARG 73 Ca 0.30 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.85 57.81 1mlc n ARG 73 Cb 0.24 -1.51 0.04 0.00 0.00 0.00 0.00 32.46 31.23 1mlc n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1mlc n ASN 74 N -2.63 -5.52 0.25 6.15 4.05 -1.01 -4.89 115.26 111.66 1mlc n ASN 74 Ca -0.26 -0.95 0.11 0.00 0.45 0.00 0.00 54.58 53.93 1mlc n ASN 74 Cb 1.02 -3.48 0.68 0.00 1.23 0.00 0.00 39.78 39.24 1mlc n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1mlc h LEU 75 N -1.66 0.00 -0.53 1.20 3.38 0.30 -2.35 115.31 115.66 1mlc h LEU 75 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1mlc h LEU 75 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1mlc h LEU 75 CO 0.46 0.13 -0.37 0.00 0.09 0.00 0.00 178.44 178.76 1mlc n ASN 77 N -0.65 -5.57 -3.65 0.00 2.85 -0.88 -5.00 115.26 102.36 1mlc n ASN 77 Ca 0.10 0.13 0.01 0.00 -0.11 0.00 0.00 54.58 54.72 1mlc n ASN 77 Cb 0.37 -1.45 -0.06 0.00 1.24 0.00 0.00 39.78 39.88 1mlc n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1mlc s ILE 78 N -1.10 0.00 0.17 -1.44 1.10 -1.26 -5.12 121.20 113.55 1mlc s ILE 78 Ca 0.16 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.00 1mlc s ILE 78 Cb -0.02 -1.00 -0.08 0.00 0.15 0.00 0.00 42.46 41.52 1mlc s ILE 78 CO 0.36 0.00 1.17 -2.16 -2.11 0.00 0.00 174.94 172.20 1mlc s PRO 79 N 0.67 4.51 0.35 3.50 0.04 -1.26 -2.25 135.00 140.56 1mlc s PRO 79 Ca -0.03 1.83 0.09 0.00 0.04 0.00 0.00 61.00 62.93 1mlc s PRO 79 Cb -0.03 -3.26 0.83 0.00 0.04 0.00 0.00 34.50 32.08 1mlc s PRO 79 CO -0.12 -0.06 1.86 0.00 0.04 0.00 0.00 177.00 178.72 1mlc n SER 81 N -4.58 0.00 0.10 0.00 3.41 -1.26 -0.60 113.62 110.68 1mlc n SER 81 Ca 0.18 0.48 -0.01 0.00 -0.26 0.00 0.00 58.87 59.26 1mlc n SER 81 Cb 0.50 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1mlc n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mlc h ALA 82 N 2.11 0.56 0.00 7.33 0.00 -0.30 -3.18 119.26 125.78 1mlc h ALA 82 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1mlc h ALA 82 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mlc h ALA 82 CO 0.00 0.91 0.00 1.28 0.00 0.00 0.00 179.25 181.44 1mlc n LEU 83 N -3.23 0.00 -0.09 0.00 4.77 0.23 -3.40 117.00 115.27 1mlc n LEU 83 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1mlc n LEU 83 Cb 0.83 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1mlc n LEU 83 CO 0.43 0.00 0.52 -0.11 -1.33 0.00 0.00 177.39 176.90 1mlc n LEU 84 N -0.76 2.03 -4.93 2.23 7.94 -1.20 -3.63 117.00 118.69 1mlc n LEU 84 Ca 0.09 -2.65 -0.28 0.00 -1.11 0.00 0.00 56.01 52.06 1mlc n LEU 84 Cb 0.04 -0.31 0.13 0.00 0.53 0.00 0.00 43.42 43.82 1mlc n LEU 84 CO 0.07 0.62 0.77 -0.55 -1.11 0.00 0.00 177.39 177.19 1mlc s SER 85 N -2.32 3.89 0.00 1.96 0.15 -1.22 -4.38 113.70 111.78 1mlc s SER 85 Ca 0.23 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.48 1mlc s SER 85 Cb 0.20 -0.65 0.53 0.00 -1.71 0.00 0.00 66.02 64.39 1mlc s SER 85 CO 0.02 -2.24 1.42 -1.20 1.20 0.00 0.00 173.24 172.45 1mlc n SER 86 N -3.41 1.30 -4.57 5.45 7.64 -1.26 -4.59 113.62 114.19 1mlc n SER 86 Ca 0.12 -1.06 -0.38 0.00 1.01 0.00 0.00 58.87 58.56 1mlc n SER 86 Cb 0.60 0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.93 1mlc n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mlc s ASP 87 N -2.51 5.87 -0.00 6.43 2.15 -1.26 -4.97 116.67 122.38 1mlc s ASP 87 Ca 0.22 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.17 1mlc s ASP 87 Cb 0.19 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.73 1mlc s ASP 87 CO 0.54 -0.04 0.89 2.30 -0.17 0.00 0.00 175.17 178.69 1mlc n ILE 88 N 4.99 0.02 -0.05 4.11 -5.35 -1.26 -4.33 119.36 117.49 1mlc n ILE 88 Ca -0.14 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1mlc n ILE 88 Cb 0.52 -0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.26 1mlc n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1mlc h THR 89 N 0.06 1.15 -0.66 7.28 2.02 -1.96 -1.62 112.91 119.18 1mlc h THR 89 Ca 0.00 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1mlc h THR 89 Cb 0.14 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1mlc h THR 89 CO 0.00 0.14 0.43 0.00 0.37 0.00 0.00 175.52 176.46 1mlc h ALA 90 N 0.93 0.84 -0.13 6.16 0.00 -1.87 -0.90 119.26 124.29 1mlc h ALA 90 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1mlc h ALA 90 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mlc h ALA 90 CO -0.01 0.24 -0.44 0.77 0.00 0.00 0.00 179.25 179.82 1mlc h SER 91 N 0.87 0.32 0.02 0.00 0.02 -1.86 -2.87 113.55 110.05 1mlc h SER 91 Ca 0.25 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1mlc h SER 91 Cb -0.07 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1mlc h SER 91 CO -0.07 0.72 -0.01 0.58 -1.14 0.00 0.00 176.83 176.92 1mlc h VAL 92 N 0.25 1.48 -0.07 2.27 2.07 -1.05 0.62 116.25 121.83 1mlc h VAL 92 Ca 0.02 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.82 1mlc h VAL 92 Cb 0.88 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1mlc h VAL 92 CO 0.07 0.43 0.24 0.78 0.02 0.00 0.00 177.57 179.11 1mlc h ASN 93 N -0.81 0.00 0.00 0.57 -0.26 -1.19 0.11 115.58 114.00 1mlc h ASN 93 Ca -0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 1mlc h ASN 93 Cb 0.73 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 1mlc h ASN 93 CO 0.00 0.00 -1.18 0.00 -1.06 0.00 0.00 177.43 175.19 1mlc n ALA 95 N -3.52 -0.06 -0.33 0.00 0.00 0.21 0.29 120.51 117.10 1mlc n ALA 95 Ca -0.28 0.96 0.23 0.00 0.00 0.00 0.00 53.44 54.35 1mlc n ALA 95 Cb 0.61 -0.46 0.51 0.00 0.00 0.00 0.00 19.45 20.11 1mlc n ALA 95 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mlc h LYS 96 N 0.00 0.37 0.08 0.00 1.57 -0.92 0.64 116.57 118.31 1mlc h LYS 96 Ca 0.35 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.85 1mlc h LYS 96 Cb 0.59 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1mlc h LYS 96 CO -0.95 0.24 -1.12 0.87 -0.57 0.00 0.00 179.45 177.93 1mlc h LYS 97 N 0.38 0.38 0.46 3.15 1.57 0.43 -2.79 116.57 120.15 1mlc h LYS 97 Ca 0.61 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1mlc h LYS 97 Cb 1.56 0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1mlc h LYS 97 CO -0.31 1.19 -0.22 0.82 -0.57 0.00 0.00 179.45 180.36 1mlc h ILE 98 N 0.17 0.46 -0.87 1.86 2.04 0.72 -3.29 117.51 118.60 1mlc h ILE 98 Ca -0.12 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.40 1mlc h ILE 98 Cb 1.80 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 1mlc h ILE 98 CO 0.19 0.06 0.56 -0.37 0.00 0.00 0.00 178.15 178.60 1mlc h VAL 99 N -0.89 1.02 0.00 1.67 -1.51 -1.17 -2.61 116.25 112.76 1mlc h VAL 99 Ca -0.06 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1mlc h VAL 99 Cb 0.58 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1mlc h VAL 99 CO 0.10 0.17 0.00 -1.20 -1.23 0.00 0.00 177.57 175.41 1mlc n SER 100 N -4.50 0.00 -0.25 4.19 7.64 -1.05 -3.63 113.62 116.01 1mlc n SER 100 Ca 0.14 -0.51 0.13 0.00 1.01 0.00 0.00 58.87 59.64 1mlc n SER 100 Cb 0.25 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 63.92 1mlc n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mlc n ASP 101 N -0.91 0.95 0.00 6.43 2.03 -0.98 -4.87 116.55 119.20 1mlc n ASP 101 Ca 0.08 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1mlc n ASP 101 Cb 0.04 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1mlc n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mlc n GLY 102 N 1.29 1.50 0.16 0.27 0.00 -1.25 -4.97 105.19 102.19 1mlc n GLY 102 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1mlc n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mlc n ASN 103 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.12 115.26 115.64 1mlc n ASN 103 Ca 0.00 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.82 1mlc n ASN 103 Cb 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 1mlc n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mlc n GLY 104 N 0.00 0.90 0.00 8.20 0.00 -1.24 -0.58 105.19 112.46 1mlc n GLY 104 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1mlc n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mlc n MET 105 N 0.00 0.76 0.00 1.61 2.81 -1.26 -3.30 117.12 117.75 1mlc n MET 105 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1mlc n MET 105 Cb 0.00 -1.05 0.30 0.00 -0.71 0.00 0.00 33.22 31.76 1mlc n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mlc n ASN 106 N -0.55 0.00 0.08 7.83 3.02 0.25 -2.62 115.26 123.27 1mlc n ASN 106 Ca 0.02 -0.01 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1mlc n ASN 106 Cb 0.01 -0.21 0.23 0.00 -0.61 0.00 0.00 39.78 39.20 1mlc n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mlc h ALA 107 N 2.59 1.12 -2.22 5.41 0.00 -1.70 -3.41 119.26 121.06 1mlc h ALA 107 Ca 0.00 -0.39 -0.72 0.00 0.00 0.00 0.00 54.91 53.80 1mlc h ALA 107 Cb 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 17.56 1mlc h ALA 107 CO 0.00 0.57 -0.20 -1.58 0.00 0.00 0.00 179.25 178.04 1mlc s TRP 108 N -4.23 3.18 0.56 0.00 0.51 -1.08 -4.98 118.94 112.91 1mlc s TRP 108 Ca -0.05 -0.84 0.24 0.00 -2.12 0.00 0.00 56.10 53.33 1mlc s TRP 108 Cb 0.13 -3.34 1.59 0.00 -0.81 0.00 0.00 33.47 31.05 1mlc s TRP 108 CO 0.77 -0.89 2.21 0.28 -0.51 0.00 0.00 176.95 178.81 1mlc h VAL 109 N 5.80 0.72 0.03 4.03 2.07 -1.86 -0.83 116.25 126.21 1mlc h VAL 109 Ca -0.28 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 66.90 1mlc h VAL 109 Cb 1.10 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1mlc h VAL 109 CO 0.92 0.00 -2.03 0.00 0.02 0.00 0.00 177.57 176.48 1mlc n ALA 110 N -2.42 1.33 0.10 1.67 0.00 -1.26 -2.43 120.51 117.51 1mlc n ALA 110 Ca -0.03 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.38 1mlc n ALA 110 Cb 0.10 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 1mlc n ALA 110 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1mlc h TRP 111 N 0.02 -1.37 -0.97 0.00 7.01 -1.69 0.96 115.95 119.91 1mlc h TRP 111 Ca -0.41 0.04 0.26 0.00 2.11 0.00 0.00 58.89 60.89 1mlc h TRP 111 Cb 2.06 0.58 -0.13 0.00 -2.10 0.00 0.00 29.16 29.56 1mlc h TRP 111 CO 0.02 -0.54 0.50 -0.09 -2.79 0.00 0.00 178.44 175.55 1mlc h ARG 112 N -0.68 0.40 0.00 2.65 2.43 -1.28 1.91 114.38 119.81 1mlc h ARG 112 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1mlc h ARG 112 Cb 0.68 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1mlc h ARG 112 CO -0.25 0.27 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.06 1mlc h ASN 113 N 0.41 0.00 0.00 -3.80 2.35 -1.20 -3.35 115.58 109.99 1mlc h ASN 113 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.40 1mlc h ASN 113 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1mlc h ASN 113 CO -0.55 0.04 -0.06 0.54 -1.65 0.00 0.00 177.43 175.75 1mlc n ARG 114 N -2.91 3.46 0.00 0.81 5.12 0.31 -4.94 116.66 118.51 1mlc n ARG 114 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1mlc n ARG 114 Cb 0.56 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.55 1mlc n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mlc n LYS 116 N -1.90 2.66 0.00 0.00 4.81 -0.45 -2.84 118.16 120.44 1mlc n LYS 116 Ca 0.00 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1mlc n LYS 116 Cb 0.35 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1mlc n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mlc n GLY 117 N 3.90 2.36 2.32 3.14 0.00 -1.26 -4.87 105.19 110.77 1mlc n GLY 117 Ca 0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1mlc n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mlc n THR 118 N 0.00 0.00 -2.12 2.61 -1.04 -1.13 -4.89 114.28 107.72 1mlc n THR 118 Ca 0.00 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1mlc n THR 118 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mlc n THR 118 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1mlc n ASP 119 N 2.70 5.92 -0.08 8.00 2.03 -1.26 -4.87 116.55 128.98 1mlc n ASP 119 Ca -0.02 -3.06 0.26 0.00 0.52 0.00 0.00 54.79 52.50 1mlc n ASP 119 Cb 0.50 -1.47 0.71 0.00 -0.72 0.00 0.00 41.12 40.13 1mlc n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1mlc h VAL 120 N 3.44 0.38 -0.31 5.18 -1.51 -1.90 0.38 116.25 121.91 1mlc h VAL 120 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.99 1mlc h VAL 120 Cb 0.53 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1mlc h VAL 120 CO 1.63 0.00 0.20 0.06 -1.23 0.00 0.00 177.57 178.23 1mlc h GLN 121 N 0.00 0.41 -1.34 5.19 3.07 -1.89 0.34 115.11 120.89 1mlc h GLN 121 Ca 0.35 -0.03 0.39 0.00 0.09 0.00 0.00 58.65 59.45 1mlc h GLN 121 Cb 1.66 -0.09 -0.05 0.00 0.08 0.00 0.00 27.48 29.07 1mlc h GLN 121 CO -0.00 0.28 1.07 0.00 0.09 0.00 0.00 178.83 180.27 1mlc h ALA 122 N 1.80 3.24 0.00 0.06 0.00 -0.63 0.25 119.26 123.97 1mlc h ALA 122 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mlc h ALA 122 Cb -0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1mlc h ALA 122 CO -0.02 -1.76 -0.10 -1.49 0.00 0.00 0.00 179.25 175.88 1mlc h TRP 123 N 0.00 0.00 0.00 0.00 4.06 -0.51 -3.23 115.95 116.27 1mlc h TRP 123 Ca 0.64 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.59 1mlc h TRP 123 Cb 2.78 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.94 1mlc h TRP 123 CO 0.00 0.00 -1.21 0.44 -3.56 0.00 0.00 178.44 174.11 1mlc n ILE 124 N -2.85 0.00 -1.69 1.49 -5.35 0.63 -4.74 119.36 106.85 1mlc n ILE 124 Ca 0.04 -0.26 -0.45 0.00 -0.27 0.00 0.00 62.75 61.82 1mlc n ILE 124 Cb 0.51 0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 38.92 1mlc n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1mlc n ARG 125 N -1.70 2.38 0.00 6.28 1.74 0.15 -1.94 116.66 123.57 1mlc n ARG 125 Ca -0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1mlc n ARG 125 Cb 0.31 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1mlc n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mlc n GLY 126 N 3.56 2.28 3.85 -0.13 0.00 -1.26 -5.01 105.19 108.48 1mlc n GLY 126 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1mlc n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mlc s ARG 128 N -5.24 1.65 0.00 0.00 1.81 -1.26 -5.12 118.95 110.80 1mlc s ARG 128 Ca 0.59 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1mlc s ARG 128 Cb -0.12 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 1mlc s ARG 128 CO 0.53 -0.73 0.04 1.47 -0.68 0.00 0.00 175.30 175.93