#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 133l s VAL 2 N 0.00 4.42 0.51 0.58 1.01 -1.26 -2.02 120.40 123.64 133l s VAL 2 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 133l s VAL 2 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 133l s VAL 2 CO 0.00 0.03 1.06 -0.36 0.00 0.00 0.00 175.10 175.84 133l s PHE 3 N 1.57 2.92 0.48 5.22 0.40 -0.85 -5.03 117.98 122.70 133l s PHE 3 Ca 0.04 1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 57.86 133l s PHE 3 Cb -0.17 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 133l s PHE 3 CO 0.05 -1.04 0.82 -1.21 0.70 0.00 0.00 175.22 174.53 133l s GLU 4 N -3.36 3.61 0.10 0.44 2.02 -1.26 -4.89 118.70 115.34 133l s GLU 4 Ca 0.68 0.34 -0.34 0.00 0.02 0.00 0.00 54.97 55.67 133l s GLU 4 Cb -0.18 -2.34 -0.14 0.00 0.10 0.00 0.00 34.13 31.57 133l s GLU 4 CO 0.24 -0.21 1.58 -0.09 0.02 0.00 0.00 175.26 176.79 133l h ARG 5 N 0.40 -0.82 0.00 1.61 2.43 -1.97 -1.30 114.38 114.73 133l h ARG 5 Ca -0.47 0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.66 133l h ARG 5 Cb 1.20 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 133l h ARG 5 CO 0.62 -0.55 -0.46 0.00 -1.51 0.00 0.00 179.97 178.07 133l h GLU 7 N 0.00 0.34 -0.53 0.00 4.81 -1.89 -1.88 114.58 115.43 133l h GLU 7 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 133l h GLU 7 Cb 0.94 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 133l h GLU 7 CO 0.06 0.22 -0.03 1.25 -0.73 0.00 0.00 179.01 179.78 133l h LEU 8 N 0.35 0.95 -0.63 1.64 5.85 -0.81 -2.29 115.31 120.37 133l h LEU 8 Ca 0.10 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.52 133l h LEU 8 Cb -0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 133l h LEU 8 CO -0.03 1.04 0.40 0.00 -0.34 0.00 0.00 178.44 179.51 133l h ALA 9 N 0.94 0.81 -0.65 1.25 0.00 -0.91 -0.42 119.26 120.28 133l h ALA 9 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 133l h ALA 9 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 133l h ALA 9 CO 0.03 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.66 133l h ARG 10 N 0.79 0.99 -0.22 0.00 3.08 -1.31 -1.48 114.38 116.24 133l h ARG 10 Ca 0.25 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 133l h ARG 10 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 133l h ARG 10 CO -0.09 0.85 0.06 1.15 -1.07 0.00 0.00 179.97 180.87 133l h THR 11 N 0.96 1.20 -0.73 2.04 2.02 -0.89 -1.24 112.91 116.28 133l h THR 11 Ca 0.21 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 133l h THR 11 Cb 0.26 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 133l h THR 11 CO -0.01 0.21 0.26 -0.07 0.37 0.00 0.00 175.52 176.27 133l h LEU 12 N 0.18 1.03 -0.20 2.58 3.38 -0.90 -1.98 115.31 119.40 133l h LEU 12 Ca 0.07 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.88 133l h LEU 12 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 133l h LEU 12 CO -0.00 0.95 -0.01 0.50 0.09 0.00 0.00 178.44 179.97 133l h LYS 13 N 1.06 0.05 -0.95 1.13 3.64 -1.14 -1.80 116.57 118.56 133l h LYS 13 Ca 0.24 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 133l h LYS 13 Cb 0.26 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 133l h LYS 13 CO -0.01 0.04 0.60 -0.09 -2.27 0.00 0.00 179.45 177.71 133l h ARG 14 N 0.06 1.01 -0.09 1.90 2.43 -1.06 -2.19 114.38 116.43 133l h ARG 14 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 133l h ARG 14 Cb 0.12 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 133l h ARG 14 CO -0.17 0.67 0.00 1.28 -1.51 0.00 0.00 179.97 180.24 133l n LEU 15 N -4.59 0.61 0.00 3.80 4.77 -0.76 -4.90 117.00 115.92 133l n LEU 15 Ca 0.16 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 133l n LEU 15 Cb 0.24 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 133l n LEU 15 CO 0.30 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 133l n GLY 16 N 0.78 0.59 0.11 -0.72 0.00 -0.82 -4.97 105.19 100.15 133l n GLY 16 Ca 0.08 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.42 133l n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 133l h MET 17 N 0.00 0.00 -6.41 1.61 2.86 -1.52 -3.41 114.93 108.06 133l h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 133l h MET 17 Cb 0.26 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 133l h MET 17 CO 0.00 0.00 1.13 0.34 1.06 0.00 0.00 176.91 179.44 133l s ASP 18 N -4.95 6.24 0.00 1.22 2.15 -1.26 -2.07 116.67 118.00 133l s ASP 18 Ca 0.04 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.12 133l s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 133l s ASP 18 CO 0.73 -1.46 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 133l n GLY 19 N 5.07 0.63 3.70 2.66 0.00 0.56 -4.90 105.19 112.91 133l n GLY 19 Ca 0.19 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 133l n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 133l s TYR 20 N -2.00 3.02 -1.52 1.61 5.04 -0.88 -1.77 117.35 120.85 133l s TYR 20 Ca 0.00 0.82 -0.15 0.00 -2.44 0.00 0.00 57.07 55.30 133l s TYR 20 Cb 0.00 -3.73 0.11 0.00 0.35 0.00 0.00 41.96 38.70 133l s TYR 20 CO 0.00 -2.65 0.74 -2.13 -1.34 0.00 0.00 175.55 170.17 133l n ARG 21 N 4.57 -3.79 -0.99 4.97 3.00 -1.26 -0.88 116.66 122.28 133l n ARG 21 Ca 0.13 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.43 133l n ARG 21 Cb 0.42 -5.22 0.00 0.00 0.00 0.00 0.00 32.46 27.66 133l n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 133l n GLY 22 N -1.38 0.52 3.55 5.14 0.00 -0.73 -5.02 105.19 107.27 133l n GLY 22 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 133l n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 133l s ILE 23 N -2.22 5.05 0.72 -0.61 1.01 -0.06 -4.89 121.20 120.20 133l s ILE 23 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 133l s ILE 23 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 39.08 133l s ILE 23 CO 0.00 0.25 1.11 -0.94 0.00 0.00 0.00 174.94 175.36 133l s SER 24 N 1.72 4.73 0.23 3.58 1.04 -1.26 -0.32 113.70 123.41 133l s SER 24 Ca 0.07 1.98 -0.06 0.00 0.48 0.00 0.00 55.95 58.41 133l s SER 24 Cb -0.16 -2.54 0.37 0.00 0.10 0.00 0.00 66.02 63.79 133l s SER 24 CO 0.09 -1.89 1.76 0.25 0.98 0.00 0.00 173.24 174.43 133l h LEU 25 N -0.48 0.39 -1.51 2.42 6.46 -1.91 -2.16 115.31 118.52 133l h LEU 25 Ca -0.46 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.47 133l h LEU 25 Cb 1.25 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 133l h LEU 25 CO 0.52 0.20 0.44 0.00 -0.62 0.00 0.00 178.44 178.98 133l h ALA 26 N 1.47 1.86 -0.36 1.25 0.00 -1.92 0.57 119.26 122.13 133l h ALA 26 Ca 0.37 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 133l h ALA 26 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 133l h ALA 26 CO -0.31 0.01 -0.30 -0.91 0.00 0.00 0.00 179.25 177.74 133l h ASN 27 N 0.57 0.88 -0.43 0.00 2.35 -1.72 -0.64 115.58 116.60 133l h ASN 27 Ca 0.30 -0.45 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 133l h ASN 27 Cb 0.42 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 133l h ASN 27 CO -0.10 1.15 0.05 -0.50 -1.65 0.00 0.00 177.43 176.38 133l h TRP 28 N 0.63 0.84 -0.12 1.19 4.06 -1.16 -1.47 115.95 119.92 133l h TRP 28 Ca 0.06 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 133l h TRP 28 Cb 0.87 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.79 133l h TRP 28 CO 0.06 0.75 -0.06 0.52 -3.56 0.00 0.00 178.44 176.16 133l h MET 29 N 0.76 0.26 -0.83 0.49 2.86 -0.72 -1.41 114.93 116.33 133l h MET 29 Ca 0.16 -0.11 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 133l h MET 29 Cb 0.39 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.95 133l h MET 29 CO 0.01 0.60 0.43 0.00 1.06 0.00 0.00 176.91 179.01 133l h LEU 31 N 0.64 -0.11 -1.50 0.00 5.85 -1.01 -1.19 115.31 117.99 133l h LEU 31 Ca 0.44 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 133l h LEU 31 Cb 0.59 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 133l h LEU 31 CO -0.34 0.25 0.10 0.00 -0.34 0.00 0.00 178.44 178.11 133l h ALA 32 N 0.35 1.61 0.88 1.25 0.00 -1.03 0.47 119.26 122.79 133l h ALA 32 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 133l h ALA 32 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 133l h ALA 32 CO 0.02 0.30 -0.48 -0.22 0.00 0.00 0.00 179.25 178.88 133l h LYS 33 N 0.42 -1.21 0.00 0.00 1.63 -1.05 0.12 116.57 116.49 133l h LYS 33 Ca 0.10 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 133l h LYS 33 Cb 0.13 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 133l h LYS 33 CO -0.01 -0.80 0.00 -1.49 -3.45 0.00 0.00 179.45 173.70 133l h TRP 34 N -1.25 0.00 0.12 1.91 4.06 -0.90 0.21 115.95 120.10 133l h TRP 34 Ca -0.12 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.66 133l h TRP 34 Cb 0.98 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.16 133l h TRP 34 CO -0.05 0.00 -0.75 0.93 -3.56 0.00 0.00 178.44 175.01 133l h GLU 35 N 0.00 0.26 0.00 0.49 4.39 -0.75 -3.42 114.58 115.55 133l h GLU 35 Ca 0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 133l h GLU 35 Cb 0.76 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 133l h GLU 35 CO 0.00 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 133l n SER 36 N -4.17 0.13 -2.10 1.42 3.41 -0.02 -4.83 113.62 107.46 133l n SER 36 Ca -0.14 -0.65 -0.17 0.00 -0.26 0.00 0.00 58.87 57.65 133l n SER 36 Cb 0.79 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.83 133l n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 133l n GLY 37 N 0.08 -0.27 2.74 5.00 0.00 0.72 -2.86 105.19 110.61 133l n GLY 37 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 133l n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 133l n TYR 38 N -4.12 -1.53 -3.75 1.61 4.01 -1.12 -4.81 117.16 107.45 133l n TYR 38 Ca -0.14 0.35 -0.37 0.00 -0.16 0.00 0.00 57.90 57.57 133l n TYR 38 Cb 0.62 -4.02 -0.12 0.00 -0.31 0.00 0.00 39.34 35.50 133l n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 133l s ASN 39 N -2.59 5.17 0.45 7.72 2.47 -1.13 -2.00 114.94 125.03 133l s ASN 39 Ca 0.20 -0.64 0.31 0.00 0.42 0.00 0.00 52.86 53.16 133l s ASN 39 Cb -0.09 -1.90 1.49 0.00 -1.45 0.00 0.00 41.25 39.30 133l s ASN 39 CO 0.25 -0.18 1.94 0.71 -3.72 0.00 0.00 177.10 176.10 133l h THR 40 N 5.81 0.00 -0.01 -5.21 1.35 -1.73 -2.97 112.91 110.15 133l h THR 40 Ca -0.32 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 133l h THR 40 Cb 1.13 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 133l h THR 40 CO 0.60 0.00 -0.43 0.54 -0.25 0.00 0.00 175.52 175.99 133l n ARG 41 N -2.69 0.56 -1.68 4.72 1.74 -1.26 -4.18 116.66 113.88 133l n ARG 41 Ca -0.00 -0.37 -0.45 0.00 -0.77 0.00 0.00 57.85 56.26 133l n ARG 41 Cb 0.17 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 133l n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 133l n ALA 42 N -0.90 1.62 -2.80 7.54 0.00 -1.12 -4.81 120.51 120.04 133l n ALA 42 Ca 0.09 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 133l n ALA 42 Cb 0.36 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.25 133l n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 133l s THR 43 N 1.61 0.43 -0.11 0.00 -4.23 -1.26 -0.55 115.64 111.53 133l s THR 43 Ca 0.81 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 133l s THR 43 Cb -0.63 -0.42 0.03 0.00 1.34 0.00 0.00 72.50 72.83 133l s THR 43 CO 0.39 -0.06 -0.04 0.21 -0.54 0.00 0.00 174.62 174.59 133l s ASN 44 N -0.60 2.10 0.05 3.99 2.47 -0.10 -4.95 114.94 117.90 133l s ASN 44 Ca -0.02 -0.31 -0.17 0.00 0.42 0.00 0.00 52.86 52.78 133l s ASN 44 Cb -0.05 -0.68 -0.06 0.00 -1.45 0.00 0.00 41.25 39.01 133l s ASN 44 CO -0.00 -0.17 0.51 -0.47 -3.72 0.00 0.00 177.10 173.25 133l s TYR 45 N 1.81 3.76 -0.34 0.43 5.04 -1.26 -0.59 117.35 126.19 133l s TYR 45 Ca 0.04 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.84 133l s TYR 45 Cb -0.13 -2.41 0.09 0.00 0.35 0.00 0.00 41.96 39.87 133l s TYR 45 CO -0.07 0.60 0.06 -0.80 -1.34 0.00 0.00 175.55 174.00 133l s ASN 46 N -1.15 4.84 0.41 4.32 0.01 0.65 -4.97 114.94 119.05 133l s ASN 46 Ca 0.28 -1.99 0.16 0.00 -0.71 0.00 0.00 52.86 50.60 133l s ASN 46 Cb -0.18 -1.67 0.90 0.00 0.41 0.00 0.00 41.25 40.71 133l s ASN 46 CO 0.17 -0.38 1.89 0.00 -1.51 0.00 0.00 177.10 177.27 133l h ALA 47 N 7.75 1.38 -0.11 0.60 0.00 -1.96 -0.62 119.26 126.29 133l h ALA 47 Ca -0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 133l h ALA 47 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 133l h ALA 47 CO 0.55 0.37 -0.17 0.78 0.00 0.00 0.00 179.25 180.78 133l h GLY 48 N 1.06 0.19 0.00 0.00 0.00 -1.96 -3.33 103.07 99.04 133l h GLY 48 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 133l h GLY 48 CO 0.04 0.11 0.00 2.09 0.00 0.00 0.00 176.54 178.78 133l n ASP 49 N -4.26 1.09 -1.86 0.19 5.75 -1.01 -5.03 116.55 111.42 133l n ASP 49 Ca -0.01 -1.52 -0.17 0.00 -0.01 0.00 0.00 54.79 53.08 133l n ASP 49 Cb 0.28 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 133l n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 133l n ARG 50 N -0.26 -1.32 -4.32 0.11 1.74 -0.27 -4.80 116.66 107.53 133l n ARG 50 Ca 0.00 0.83 -0.24 0.00 -0.77 0.00 0.00 57.85 57.67 133l n ARG 50 Cb 0.34 -5.24 -0.08 0.00 -1.02 0.00 0.00 32.46 26.45 133l n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 133l s SER 51 N -2.29 4.21 0.03 0.55 1.04 -1.17 -4.39 113.70 111.69 133l s SER 51 Ca 0.00 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.50 133l s SER 51 Cb 0.00 -0.55 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 133l s SER 51 CO 0.00 -0.23 -0.12 -0.89 0.98 0.00 0.00 173.24 172.98 133l s THR 52 N -2.50 0.92 -0.16 2.02 2.01 -1.26 -0.25 115.64 116.41 133l s THR 52 Ca 0.35 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 133l s THR 52 Cb -0.01 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 133l s THR 52 CO 0.19 -0.03 0.09 -1.81 -0.69 0.00 0.00 174.62 172.37 133l s ASP 53 N -1.05 5.94 -0.09 3.53 1.01 0.24 -1.20 116.67 125.04 133l s ASP 53 Ca -0.00 0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.52 133l s ASP 53 Cb -0.07 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 133l s ASP 53 CO 0.01 0.25 -0.22 -0.31 0.21 0.00 0.00 175.17 175.11 133l s TYR 54 N -0.09 2.57 0.00 4.23 2.02 -0.13 -0.92 117.35 125.02 133l s TYR 54 Ca 0.08 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 133l s TYR 54 Cb -0.12 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 133l s TYR 54 CO 0.01 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 133l n GLY 55 N 3.32 -1.85 0.26 0.71 0.00 0.28 -1.71 105.19 106.20 133l n GLY 55 Ca -0.18 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.38 133l n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 133l h ILE 56 N 0.00 1.09 -0.35 -0.61 2.10 -1.72 -1.87 117.51 116.15 133l h ILE 56 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 133l h ILE 56 Cb 0.00 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 133l h ILE 56 CO 0.00 0.12 0.00 0.49 -1.08 0.00 0.00 178.15 177.68 133l n PHE 57 N -4.42 0.45 -3.84 2.19 3.72 -1.26 -4.00 117.46 110.30 133l n PHE 57 Ca -0.01 -0.23 -0.36 0.00 -0.05 0.00 0.00 57.45 56.81 133l n PHE 57 Cb 0.16 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 133l n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 133l n GLN 58 N 1.49 -0.85 -3.15 -1.08 1.13 -0.70 -4.92 117.38 109.30 133l n GLN 58 Ca 0.19 0.39 -0.39 0.00 -1.94 0.00 0.00 57.00 55.25 133l n GLN 58 Cb 0.61 -3.21 -0.05 0.00 0.11 0.00 0.00 30.24 27.69 133l n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 133l s ILE 59 N -3.39 5.01 0.14 5.09 1.01 -0.70 -4.52 121.20 123.85 133l s ILE 59 Ca 0.39 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 133l s ILE 59 Cb -0.18 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 133l s ILE 59 CO 0.91 0.33 0.96 0.21 0.00 0.00 0.00 174.94 177.35 133l s ASN 60 N 0.37 7.53 0.00 3.58 3.84 -1.26 -0.95 114.94 128.04 133l s ASN 60 Ca 0.33 1.83 0.20 0.00 0.21 0.00 0.00 52.86 55.43 133l s ASN 60 Cb -0.18 -2.59 0.85 0.00 -0.55 0.00 0.00 41.25 38.78 133l s ASN 60 CO 0.17 -0.02 1.63 -1.54 -2.79 0.00 0.00 177.10 174.55 133l n SER 61 N 2.50 0.00 -0.04 -4.21 3.41 -0.35 -2.02 113.62 112.91 133l n SER 61 Ca 0.01 0.48 -0.14 0.00 -0.26 0.00 0.00 58.87 58.96 133l n SER 61 Cb 0.49 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 133l n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 133l h ARG 62 N 0.00 0.24 0.00 4.33 2.43 -1.86 -3.41 114.38 116.11 133l h ARG 62 Ca 0.00 -0.15 -0.38 0.00 -0.81 0.00 0.00 59.98 58.64 133l h ARG 62 Cb 0.33 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 133l h ARG 62 CO 0.00 0.73 -2.44 0.66 -1.51 0.00 0.00 179.97 177.42 133l n TYR 63 N -4.60 0.00 -0.08 2.20 4.01 -1.20 -0.10 117.16 117.39 133l n TYR 63 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.53 133l n TYR 63 Cb 0.38 -0.99 -0.06 0.00 -0.31 0.00 0.00 39.34 38.35 133l n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 133l n TRP 64 N -3.09 0.00 -4.46 -0.72 7.02 -0.86 -0.47 117.44 114.87 133l n TRP 64 Ca -0.41 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 55.84 133l n TRP 64 Cb 1.04 -0.58 -0.10 0.00 -2.42 0.00 0.00 31.31 29.25 133l n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 133l s ASN 66 N -3.49 4.42 0.00 0.00 2.47 -0.10 -4.44 114.94 113.81 133l s ASN 66 Ca 0.29 -0.30 0.08 0.00 0.42 0.00 0.00 52.86 53.36 133l s ASN 66 Cb -0.02 -1.73 0.18 0.00 -1.45 0.00 0.00 41.25 38.23 133l s ASN 66 CO 0.13 0.07 1.06 -0.90 -3.72 0.00 0.00 177.10 173.74 133l n ASP 67 N 4.20 2.38 0.00 -4.21 5.68 -1.26 -0.68 116.55 122.66 133l n ASP 67 Ca -0.18 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 133l n ASP 67 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 133l n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 133l n GLY 68 N 0.33 2.02 0.60 6.12 0.00 -1.26 -4.77 105.19 108.23 133l n GLY 68 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 133l n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 133l n LYS 69 N -1.69 2.82 -3.80 1.61 2.85 -1.26 -4.98 118.16 113.72 133l n LYS 69 Ca 0.00 -2.23 -0.36 0.00 -1.05 0.00 0.00 58.31 54.67 133l n LYS 69 Cb 0.00 -1.41 -0.13 0.00 -0.65 0.00 0.00 35.03 32.84 133l n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 133l s THR 70 N -1.60 3.99 0.35 0.58 2.01 -1.26 -4.92 115.64 114.79 133l s THR 70 Ca 0.26 -0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 133l s THR 70 Cb 0.17 -2.88 -0.11 0.00 0.01 0.00 0.00 72.50 69.70 133l s THR 70 CO 0.11 0.33 1.44 -2.16 -0.69 0.00 0.00 174.62 173.65 133l s PRO 71 N 1.56 4.19 -0.29 4.92 0.04 -1.26 -3.05 135.00 141.10 133l s PRO 71 Ca 0.06 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.55 133l s PRO 71 Cb -0.15 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.38 133l s PRO 71 CO 0.01 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.03 133l n GLY 72 N 0.71 0.54 3.71 0.56 0.00 -1.26 -4.92 105.19 104.52 133l n GLY 72 Ca 0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 133l n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 133l n ALA 73 N 1.05 2.47 -0.05 4.61 0.00 -1.17 -4.88 120.51 122.53 133l n ALA 73 Ca -0.03 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 133l n ALA 73 Cb 0.22 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.05 133l n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 133l n VAL 74 N 3.76 1.58 -3.58 0.00 0.31 0.85 -5.01 118.33 116.26 133l n VAL 74 Ca 0.16 -0.73 -0.23 0.00 -0.01 0.00 0.00 64.34 63.53 133l n VAL 74 Cb 0.33 -1.17 0.05 0.00 -0.91 0.00 0.00 33.84 32.14 133l n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 133l n ASN 75 N -3.14 -3.74 0.23 4.52 5.15 -1.07 -4.93 115.26 112.29 133l n ASN 75 Ca -0.30 -0.84 0.07 0.00 -0.60 0.00 0.00 54.58 52.90 133l n ASN 75 Cb 1.06 -4.18 0.56 0.00 -0.53 0.00 0.00 39.78 36.69 133l n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 133l h ALA 76 N 0.63 1.66 -0.00 5.20 0.00 -0.67 -0.99 119.26 125.09 133l h ALA 76 Ca -0.63 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.14 133l h ALA 76 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 133l h ALA 76 CO 0.51 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 133l n HIS 78 N -1.44 -1.96 -4.23 0.00 -0.00 -0.37 -4.98 115.22 102.23 133l n HIS 78 Ca 0.09 0.86 -0.17 0.00 -0.00 0.00 0.00 57.72 58.50 133l n HIS 78 Cb 0.32 -4.52 -0.14 0.00 -0.00 0.00 0.00 29.99 25.65 133l n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 133l s LEU 79 N -6.62 2.02 0.43 2.41 1.43 -1.26 -5.06 118.68 112.03 133l s LEU 79 Ca 0.00 -0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 133l s LEU 79 Cb -0.00 -0.34 -0.08 0.00 0.03 0.00 0.00 46.19 45.80 133l s LEU 79 CO 0.80 0.07 1.28 -0.55 0.23 0.00 0.00 176.35 178.18 133l s SER 80 N -0.21 6.19 0.57 2.29 0.15 -1.26 -0.92 113.70 120.50 133l s SER 80 Ca 0.02 2.60 0.34 0.00 0.70 0.00 0.00 55.95 59.61 133l s SER 80 Cb -0.03 -2.63 1.71 0.00 -1.71 0.00 0.00 66.02 63.36 133l s SER 80 CO -0.00 -0.93 2.13 0.00 1.20 0.00 0.00 173.24 175.64 133l h SER 82 N 0.00 0.00 -0.01 0.00 4.64 -1.91 -1.69 113.55 114.57 133l h SER 82 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 133l h SER 82 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 133l h SER 82 CO 0.01 0.11 0.02 0.00 -0.87 0.00 0.00 176.83 176.10 133l h ALA 83 N 1.89 1.38 -0.28 5.18 0.00 -1.75 -0.75 119.26 124.93 133l h ALA 83 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 133l h ALA 83 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 133l h ALA 83 CO 0.01 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.52 133l n LEU 84 N -3.59 2.23 -0.91 0.00 4.77 -0.64 -3.72 117.00 115.15 133l n LEU 84 Ca -0.03 -0.99 0.07 0.00 -0.03 0.00 0.00 56.01 55.04 133l n LEU 84 Cb 0.10 -0.18 0.22 0.00 -2.33 0.00 0.00 43.42 41.23 133l n LEU 84 CO 0.25 0.49 0.69 0.18 -1.33 0.00 0.00 177.39 177.67 133l n LEU 85 N 0.70 3.49 -4.84 2.23 4.77 -0.29 -3.72 117.00 119.34 133l n LEU 85 Ca 0.16 -2.24 -0.31 0.00 -0.03 0.00 0.00 56.01 53.59 133l n LEU 85 Cb 0.40 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 133l n LEU 85 CO 0.13 0.76 0.71 -1.10 -1.33 0.00 0.00 177.39 176.56 133l s GLN 86 N -1.45 3.34 0.18 3.23 -0.21 -1.24 -4.58 119.66 118.93 133l s GLN 86 Ca 0.34 0.91 0.05 0.00 0.02 0.00 0.00 55.36 56.68 133l s GLN 86 Cb 0.21 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 32.19 133l s GLN 86 CO 0.18 -0.77 1.40 -0.44 -2.12 0.00 0.00 175.29 173.54 133l h ASP 87 N -0.23 0.14 -3.39 5.90 3.32 -1.93 -3.41 116.42 116.81 133l h ASP 87 Ca -0.45 -0.11 -0.57 0.00 0.02 0.00 0.00 57.03 55.92 133l h ASP 87 Cb 1.20 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 133l h ASP 87 CO 0.59 0.92 0.92 0.21 -1.72 0.00 0.00 179.24 180.16 133l s ASN 88 N -6.86 6.74 -0.00 6.45 2.47 -1.26 -4.88 114.94 117.59 133l s ASN 88 Ca -0.02 0.89 0.06 0.00 0.42 0.00 0.00 52.86 54.22 133l s ASN 88 Cb 0.11 -2.54 0.17 0.00 -1.45 0.00 0.00 41.25 37.53 133l s ASN 88 CO 0.81 -1.08 1.13 2.30 -3.72 0.00 0.00 177.10 176.54 133l n ILE 89 N 6.34 0.28 -0.32 -5.21 -5.35 -1.26 -4.48 119.36 109.35 133l n ILE 89 Ca 0.13 -0.26 0.03 0.00 -0.27 0.00 0.00 62.75 62.38 133l n ILE 89 Cb 0.48 0.11 0.18 0.00 -1.74 0.00 0.00 39.64 38.66 133l n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 133l h ALA 90 N 3.32 1.28 -0.36 -1.28 0.00 -1.95 -0.88 119.26 119.39 133l h ALA 90 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 133l h ALA 90 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 133l h ALA 90 CO 0.00 0.21 -0.17 -0.44 0.00 0.00 0.00 179.25 178.85 133l h ASP 91 N 0.92 0.77 -0.74 0.00 3.32 -1.87 -1.52 116.42 117.31 133l h ASP 91 Ca 0.42 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 57.15 133l h ASP 91 Cb 0.33 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 133l h ASP 91 CO -0.23 1.01 0.40 0.00 -1.72 0.00 0.00 179.24 178.70 133l h ALA 92 N 0.79 1.02 -0.32 3.45 0.00 -1.68 -1.08 119.26 121.44 133l h ALA 92 Ca 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 133l h ALA 92 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 133l h ALA 92 CO 0.05 0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.65 133l h VAL 93 N 0.69 1.24 -0.68 0.00 2.07 -1.07 0.12 116.25 118.63 133l h VAL 93 Ca 0.35 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 133l h VAL 93 Cb 0.31 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 133l h VAL 93 CO -0.24 0.28 0.33 0.00 0.02 0.00 0.00 177.57 177.97 133l h ALA 94 N 0.87 1.32 -0.10 1.67 0.00 -0.91 -0.69 119.26 121.42 133l h ALA 94 Ca 0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 133l h ALA 94 Cb 0.38 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.91 133l h ALA 94 CO 0.01 0.54 -0.64 0.00 0.00 0.00 0.00 179.25 179.16 133l h ALA 96 N 0.48 1.60 -0.76 0.00 0.00 -0.23 -0.73 119.26 119.63 133l h ALA 96 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 133l h ALA 96 Cb 1.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 133l h ALA 96 CO 0.13 0.24 0.41 0.87 0.00 0.00 0.00 179.25 180.89 133l h LYS 97 N 0.92 1.05 -0.32 0.00 1.57 -1.07 -2.63 116.57 116.10 133l h LYS 97 Ca 0.40 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 133l h LYS 97 Cb 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 133l h LYS 97 CO -0.16 0.78 0.12 -0.09 -0.57 0.00 0.00 179.45 179.53 133l h ARG 98 N 1.06 0.48 -0.42 3.15 9.65 -0.89 -2.75 114.38 124.66 133l h ARG 98 Ca 0.27 -0.09 0.08 0.00 -1.10 0.00 0.00 59.98 59.14 133l h ARG 98 Cb 0.04 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.47 133l h ARG 98 CO -0.04 0.49 -0.04 0.28 2.80 0.00 0.00 179.97 183.46 133l h VAL 99 N 0.37 0.64 -0.00 0.20 2.07 -0.99 -2.37 116.25 116.18 133l h VAL 99 Ca 0.11 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.60 133l h VAL 99 Cb 0.20 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 133l h VAL 99 CO -0.01 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.92 133l n VAL 100 N -5.24 0.00 0.68 2.57 0.24 -1.02 -2.78 118.33 112.78 133l n VAL 100 Ca 0.03 -0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 133l n VAL 100 Cb 0.22 -0.40 0.47 0.00 -1.47 0.00 0.00 33.84 32.67 133l n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 133l n ARG 101 N -0.88 0.15 -2.51 7.34 1.74 -0.89 -4.32 116.66 117.29 133l n ARG 101 Ca 0.23 0.19 -0.33 0.00 -0.77 0.00 0.00 57.85 57.17 133l n ARG 101 Cb 0.13 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 133l n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 133l s ASP 102 N -3.91 6.47 0.58 0.55 1.11 -1.12 -4.96 116.67 115.39 133l s ASP 102 Ca 0.10 1.78 0.28 0.00 0.18 0.00 0.00 52.55 54.89 133l s ASP 102 Cb 0.13 -2.54 1.69 0.00 1.07 0.00 0.00 42.92 43.27 133l s ASP 102 CO 0.51 -0.69 2.16 1.55 1.18 0.00 0.00 175.17 179.89 133l h PRO 103 N 1.36 0.00 0.00 8.23 0.13 -1.89 0.18 132.00 140.01 133l h PRO 103 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 133l h PRO 103 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 133l h PRO 103 CO 0.60 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 180.01 133l h GLN 104 N 0.00 0.00 0.00 0.86 7.50 -1.91 -3.48 115.11 118.09 133l h GLN 104 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 133l h GLN 104 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.81 133l h GLN 104 CO -0.00 0.32 0.00 0.41 -1.50 0.00 0.00 178.83 178.05 133l n GLY 105 N -0.51 2.85 0.08 3.46 0.00 0.05 -2.16 105.19 108.95 133l n GLY 105 Ca -0.02 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.80 133l n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 133l n ILE 106 N 0.00 0.54 0.23 -0.61 3.06 -1.26 -2.41 119.36 118.91 133l n ILE 106 Ca 0.00 -0.07 0.10 0.00 -2.50 0.00 0.00 62.75 60.27 133l n ILE 106 Cb 0.00 -0.72 0.47 0.00 0.54 0.00 0.00 39.64 39.93 133l n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 133l n ARG 107 N -2.02 0.13 0.23 9.51 1.74 -0.92 -2.12 116.66 123.20 133l n ARG 107 Ca 0.05 0.53 0.18 0.00 -0.77 0.00 0.00 57.85 57.84 133l n ARG 107 Cb 0.35 -1.84 0.86 0.00 -1.02 0.00 0.00 32.46 30.81 133l n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 133l h ALA 108 N 2.11 1.67 -2.82 7.54 0.00 -1.62 -3.37 119.26 122.78 133l h ALA 108 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 133l h ALA 108 Cb 0.12 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.68 133l h ALA 108 CO 0.00 -0.30 -0.52 -1.58 0.00 0.00 0.00 179.25 176.84 133l s TRP 109 N -4.50 3.23 0.43 0.00 0.51 -0.90 -4.96 118.94 112.75 133l s TRP 109 Ca -0.04 -0.91 0.13 0.00 -2.12 0.00 0.00 56.10 53.16 133l s TRP 109 Cb 0.14 -2.42 0.94 0.00 -0.81 0.00 0.00 33.47 31.32 133l s TRP 109 CO 0.49 -0.62 1.97 -0.24 -0.51 0.00 0.00 176.95 178.04 133l h VAL 110 N 5.85 1.15 -0.38 4.03 3.04 -1.87 -1.42 116.25 126.64 133l h VAL 110 Ca -0.26 -0.69 0.06 0.00 -1.01 0.00 0.00 66.70 64.80 133l h VAL 110 Cb 1.11 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 133l h VAL 110 CO 0.66 0.20 0.26 0.00 -1.01 0.00 0.00 177.57 177.68 133l h ALA 111 N 1.77 2.03 -0.36 3.17 0.00 -1.94 -0.56 119.26 123.38 133l h ALA 111 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 133l h ALA 111 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 133l h ALA 111 CO 0.02 -0.11 0.00 2.35 0.00 0.00 0.00 179.25 181.52 133l h TRP 112 N 0.26 0.69 -0.40 0.00 7.01 -1.57 -1.18 115.95 120.75 133l h TRP 112 Ca 0.17 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 133l h TRP 112 Cb 0.35 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 133l h TRP 112 CO -0.00 0.73 0.20 0.00 -2.79 0.00 0.00 178.44 176.58 133l h ARG 113 N 0.45 0.57 -0.45 2.65 3.08 -1.25 0.15 114.38 119.58 133l h ARG 113 Ca 0.10 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 133l h ARG 113 Cb 0.46 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 133l h ARG 113 CO 0.02 0.49 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.31 133l h ASN 114 N 0.51 0.89 -0.00 7.04 2.35 -1.10 -3.34 115.58 121.93 133l h ASN 114 Ca 0.14 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 133l h ASN 114 Cb 0.10 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.23 133l h ASN 114 CO -0.02 1.05 -0.19 1.41 -1.65 0.00 0.00 177.43 178.03 133l n HIS 115 N -4.12 0.00 0.00 1.19 8.25 -0.45 -4.88 115.22 115.20 133l n HIS 115 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 133l n HIS 115 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 133l n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 133l s GLN 117 N -1.09 4.48 -1.09 0.00 -2.07 -0.13 -2.55 119.66 117.22 133l s GLN 117 Ca 0.00 1.93 0.00 0.00 -1.82 0.00 0.00 55.36 55.47 133l s GLN 117 Cb 0.00 -3.21 0.00 0.00 -1.09 0.00 0.00 33.01 28.71 133l s GLN 117 CO 0.00 -0.08 0.00 0.09 -1.32 0.00 0.00 175.29 173.98 133l n ASN 118 N 2.14 -4.00 -4.49 12.60 3.02 -1.26 -4.94 115.26 118.33 133l n ASN 118 Ca 0.03 0.11 -0.24 0.00 -0.03 0.00 0.00 54.58 54.45 133l n ASN 118 Cb 0.44 -2.95 -0.10 0.00 -0.61 0.00 0.00 39.78 36.56 133l n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 133l s ARG 119 N -3.95 1.73 -0.52 3.52 0.52 -1.06 -5.07 118.95 114.12 133l s ARG 119 Ca 0.00 -1.73 -0.28 0.00 -0.52 0.00 0.00 55.73 53.19 133l s ARG 119 Cb 0.00 -1.81 0.02 0.00 0.52 0.00 0.00 34.95 33.68 133l s ARG 119 CO 0.00 0.33 1.34 0.34 0.02 0.00 0.00 175.30 177.33 133l s ASP 120 N -3.51 6.30 -0.17 0.23 2.15 -1.26 -4.85 116.67 115.56 133l s ASP 120 Ca 0.30 0.42 0.16 0.00 0.43 0.00 0.00 52.55 53.85 133l s ASP 120 Cb -0.05 -2.55 0.65 0.00 -0.30 0.00 0.00 42.92 40.67 133l s ASP 120 CO 0.15 -1.54 1.56 1.33 -0.17 0.00 0.00 175.17 176.51 133l n VAL 121 N 6.89 2.27 0.23 1.11 0.24 -1.26 -4.63 118.33 123.17 133l n VAL 121 Ca 0.13 -1.52 0.11 0.00 -2.04 0.00 0.00 64.34 61.02 133l n VAL 121 Cb 0.49 -0.13 0.48 0.00 -1.47 0.00 0.00 33.84 33.21 133l n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 133l h ARG 122 N 3.02 0.00 -0.88 7.34 -0.00 -1.93 -2.49 114.38 119.44 133l h ARG 122 Ca 0.00 0.00 0.25 0.00 -0.50 0.00 0.00 59.98 59.73 133l h ARG 122 Cb 1.58 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.51 133l h ARG 122 CO 0.30 0.18 0.63 -0.56 0.00 0.00 0.00 179.97 180.52 133l h GLN 123 N 0.00 0.05 0.00 0.04 3.07 -1.98 -2.36 115.11 113.93 133l h GLN 123 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 133l h GLN 123 Cb 0.73 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.27 133l h GLN 123 CO 0.02 0.03 -0.10 1.88 0.09 0.00 0.00 178.83 180.76 133l h TYR 124 N 0.05 0.00 -0.02 0.06 0.05 -1.78 -3.05 116.97 112.27 133l h TYR 124 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.21 133l h TYR 124 Cb 1.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.36 133l h TYR 124 CO -0.00 0.10 0.00 1.33 -1.05 0.00 0.00 178.16 178.54 133l n VAL 125 N -3.23 0.06 -2.16 -2.88 0.24 -0.91 -4.86 118.33 104.59 133l n VAL 125 Ca 0.01 -0.53 -0.41 0.00 -2.04 0.00 0.00 64.34 61.36 133l n VAL 125 Cb 0.37 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 133l n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 133l s GLN 126 N -0.63 4.36 0.00 7.34 -2.07 -1.11 -2.53 119.66 125.01 133l s GLN 126 Ca 0.09 2.13 0.00 0.00 -1.82 0.00 0.00 55.36 55.76 133l s GLN 126 Cb 0.06 -3.16 0.00 0.00 -1.09 0.00 0.00 33.01 28.82 133l s GLN 126 CO 0.09 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 133l n GLY 127 N 2.16 1.73 0.03 2.60 0.00 -1.26 -4.93 105.19 105.52 133l n GLY 127 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 133l n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 133l n GLY 129 N 1.45 0.01 0.00 0.00 0.00 -1.26 -4.85 105.19 100.55 133l n GLY 129 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 133l n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87