#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5y s VAL 2 N 0.00 4.42 0.52 3.15 1.01 -1.26 -0.80 120.40 127.43 1b5y s VAL 2 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1b5y s VAL 2 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1b5y s VAL 2 CO 0.00 -0.38 1.09 -0.36 0.00 0.00 0.00 175.10 175.45 1b5y s PHE 3 N 1.49 2.80 0.31 5.22 0.40 0.42 -4.99 117.98 123.63 1b5y s PHE 3 Ca 0.02 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.79 1b5y s PHE 3 Cb -0.21 -3.20 -0.08 0.00 0.51 0.00 0.00 43.02 40.04 1b5y s PHE 3 CO 0.04 -1.28 0.68 -1.21 0.70 0.00 0.00 175.22 174.16 1b5y s GLU 4 N -3.26 3.89 0.05 0.44 0.41 -1.26 -4.85 118.70 114.13 1b5y s GLU 4 Ca 0.71 0.50 -0.14 0.00 -0.41 0.00 0.00 54.97 55.62 1b5y s GLU 4 Cb -0.21 -2.50 -0.05 0.00 -1.78 0.00 0.00 34.13 29.60 1b5y s GLU 4 CO 0.24 0.18 1.23 -0.09 -0.49 0.00 0.00 175.26 176.33 1b5y h ARG 5 N 2.16 -0.16 0.00 1.61 2.43 -1.96 -1.86 114.38 116.60 1b5y h ARG 5 Ca -0.47 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1b5y h ARG 5 Cb 1.18 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1b5y h ARG 5 CO 0.66 -0.11 -0.12 0.00 -1.51 0.00 0.00 179.97 178.89 1b5y h GLU 7 N 0.00 0.55 -0.64 0.00 4.81 -1.83 -2.73 114.58 114.74 1b5y h GLU 7 Ca -0.00 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1b5y h GLU 7 Cb 0.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1b5y h GLU 7 CO 0.02 0.67 0.06 1.25 -0.73 0.00 0.00 179.01 180.28 1b5y h LEU 8 N 0.36 1.05 -0.37 1.64 5.85 -0.91 -2.53 115.31 120.40 1b5y h LEU 8 Ca 0.09 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1b5y h LEU 8 Cb 0.41 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1b5y h LEU 8 CO 0.01 1.06 0.18 0.00 -0.34 0.00 0.00 178.44 179.36 1b5y h ALA 9 N 1.02 0.45 -0.49 1.25 0.00 -1.35 0.11 119.26 120.26 1b5y h ALA 9 Ca 0.19 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1b5y h ALA 9 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1b5y h ALA 9 CO 0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.02 1b5y h ARG 10 N 0.37 0.87 -0.35 0.00 3.08 -1.45 -2.05 114.38 114.84 1b5y h ARG 10 Ca 0.16 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1b5y h ARG 10 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1b5y h ARG 10 CO -0.11 0.90 0.10 1.15 -1.07 0.00 0.00 179.97 180.94 1b5y h THR 11 N 0.79 1.21 -0.34 2.04 2.02 -0.95 -1.99 112.91 115.69 1b5y h THR 11 Ca 0.14 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 1b5y h THR 11 Cb 0.56 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1b5y h THR 11 CO 0.03 0.24 -0.12 -0.07 0.37 0.00 0.00 175.52 175.97 1b5y h LEU 12 N 0.42 0.58 -0.79 2.58 3.38 -0.67 -2.34 115.31 118.47 1b5y h LEU 12 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1b5y h LEU 12 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1b5y h LEU 12 CO -0.00 0.73 -0.03 0.50 0.09 0.00 0.00 178.44 179.73 1b5y h LYS 13 N 0.54 0.89 0.00 1.13 3.64 -1.10 -2.26 116.57 119.40 1b5y h LYS 13 Ca 0.10 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1b5y h LYS 13 Cb 0.54 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1b5y h LYS 13 CO 0.03 0.90 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.88 1b5y h ARG 14 N 0.82 0.00 -0.44 1.90 2.43 -0.88 -2.53 114.38 115.68 1b5y h ARG 14 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1b5y h ARG 14 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1b5y h ARG 14 CO 0.03 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 1b5y n LEU 15 N -3.29 2.27 -0.86 3.80 4.77 -0.90 -4.91 117.00 117.87 1b5y n LEU 15 Ca 0.00 -1.14 -0.08 0.00 -0.03 0.00 0.00 56.01 54.77 1b5y n LEU 15 Cb 0.40 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1b5y n LEU 15 CO 0.32 0.51 -0.10 0.61 -1.33 0.00 0.00 177.39 177.40 1b5y n GLY 16 N 1.01 0.12 0.14 -0.72 0.00 -0.95 -4.95 105.19 99.84 1b5y n GLY 16 Ca 0.13 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.67 1b5y n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b5y h MET 17 N 0.00 0.00 -6.26 1.61 2.86 -1.63 -3.41 114.93 108.10 1b5y h MET 17 Ca -0.18 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.88 1b5y h MET 17 Cb 1.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 1b5y h MET 17 CO 0.22 0.09 1.29 0.34 1.06 0.00 0.00 176.91 179.90 1b5y s ASP 18 N -5.73 5.88 0.00 1.22 2.15 -1.26 -2.21 116.67 116.71 1b5y s ASP 18 Ca 0.01 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.33 1b5y s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1b5y s ASP 18 CO 0.76 -1.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 1b5y n GLY 19 N 5.43 0.65 3.65 2.66 0.00 0.47 -4.89 105.19 113.17 1b5y n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1b5y n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b5y s TYR 20 N -2.25 1.42 -1.47 1.61 5.04 -0.94 -1.14 117.35 119.61 1b5y s TYR 20 Ca 0.00 -0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.28 1b5y s TYR 20 Cb 0.00 -4.16 0.06 0.00 0.35 0.00 0.00 41.96 38.21 1b5y s TYR 20 CO 0.00 -5.08 0.87 0.54 -1.34 0.00 0.00 175.55 170.54 1b5y n ARG 21 N 7.57 -5.43 -0.99 4.97 5.12 -1.26 -1.11 116.66 125.52 1b5y n ARG 21 Ca 0.20 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1b5y n ARG 21 Cb 0.42 -5.55 0.00 0.00 -1.16 0.00 0.00 32.46 26.17 1b5y n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b5y n GLY 22 N -1.63 0.47 3.59 -0.13 0.00 -0.30 -5.01 105.19 102.19 1b5y n GLY 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1b5y n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b5y s ILE 23 N -2.04 5.28 0.63 -0.61 1.01 -0.27 -4.91 121.20 120.29 1b5y s ILE 23 Ca 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1b5y s ILE 23 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1b5y s ILE 23 CO 0.00 0.23 1.11 -0.94 0.00 0.00 0.00 174.94 175.34 1b5y s SER 24 N 1.73 5.30 0.20 3.58 1.04 -1.26 -0.40 113.70 123.89 1b5y s SER 24 Ca 0.09 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.44 1b5y s SER 24 Cb -0.16 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.67 1b5y s SER 24 CO 0.11 -1.50 1.75 0.25 0.98 0.00 0.00 173.24 174.82 1b5y h LEU 25 N 0.31 0.24 -2.07 2.42 5.85 -1.90 -0.49 115.31 119.68 1b5y h LEU 25 Ca -0.47 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1b5y h LEU 25 Cb 1.25 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1b5y h LEU 25 CO 0.55 0.15 0.15 0.00 -0.34 0.00 0.00 178.44 178.95 1b5y h ALA 26 N 1.40 2.09 -0.12 1.25 0.00 -1.92 -0.13 119.26 121.84 1b5y h ALA 26 Ca 0.30 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1b5y h ALA 26 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b5y h ALA 26 CO -0.29 -0.25 -0.69 -0.91 0.00 0.00 0.00 179.25 177.11 1b5y h ASN 27 N 0.00 0.61 0.16 0.00 2.35 -1.41 -1.06 115.58 116.22 1b5y h ASN 27 Ca 0.09 -0.38 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 1b5y h ASN 27 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1b5y h ASN 27 CO -0.00 1.12 -0.45 -0.50 -1.65 0.00 0.00 177.43 175.95 1b5y h TRP 28 N 0.37 0.42 -0.33 1.19 4.06 -0.88 -0.87 115.95 119.90 1b5y h TRP 28 Ca -0.02 -0.13 -0.13 0.00 2.06 0.00 0.00 58.89 60.67 1b5y h TRP 28 Cb 1.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1b5y h TRP 28 CO 0.05 0.74 -0.31 0.52 -3.56 0.00 0.00 178.44 175.88 1b5y h MET 29 N 0.29 0.80 -0.76 0.49 2.86 -0.97 -1.49 114.93 116.15 1b5y h MET 29 Ca 0.02 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 1b5y h MET 29 Cb 0.90 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1b5y h MET 29 CO 0.07 1.04 0.41 0.00 1.06 0.00 0.00 176.91 179.50 1b5y h LEU 31 N 1.05 -0.66 -1.09 0.00 5.85 -0.95 -2.66 115.31 116.84 1b5y h LEU 31 Ca 0.27 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.10 1b5y h LEU 31 Cb 0.05 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1b5y h LEU 31 CO -0.04 -0.42 0.61 0.00 -0.34 0.00 0.00 178.44 178.25 1b5y h ALA 32 N -0.48 1.59 0.02 1.25 0.00 -1.20 0.22 119.26 120.66 1b5y h ALA 32 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b5y h ALA 32 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b5y h ALA 32 CO 0.13 0.18 -0.03 -0.22 0.00 0.00 0.00 179.25 179.32 1b5y h LYS 33 N 0.93 -0.06 0.00 0.00 1.63 -1.21 -2.22 116.57 115.65 1b5y h LYS 33 Ca 0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1b5y h LYS 33 Cb 0.49 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1b5y h LYS 33 CO -0.23 -0.04 -0.48 -1.49 -3.45 0.00 0.00 179.45 173.76 1b5y h TRP 34 N -0.06 0.00 0.00 1.91 4.06 -1.26 -2.23 115.95 118.38 1b5y h TRP 34 Ca 0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1b5y h TRP 34 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1b5y h TRP 34 CO -0.09 0.00 -0.02 0.93 -3.56 0.00 0.00 178.44 175.69 1b5y h GLU 35 N 0.00 0.01 0.00 0.49 4.39 -0.95 -3.43 114.58 115.09 1b5y h GLU 35 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1b5y h GLU 35 Cb 0.99 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1b5y h GLU 35 CO 0.00 0.90 0.00 0.00 -1.16 0.00 0.00 179.01 178.75 1b5y n ALA 36 N -2.55 0.27 -2.50 3.43 0.00 -0.89 -4.89 120.51 113.38 1b5y n ALA 36 Ca -0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 1b5y n ALA 36 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1b5y n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b5y n GLY 37 N 0.00 0.28 2.40 0.00 0.00 -0.84 -3.21 105.19 103.83 1b5y n GLY 37 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1b5y n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b5y n TYR 38 N -3.66 -0.26 -3.70 1.61 4.01 -1.15 -4.79 117.16 109.23 1b5y n TYR 38 Ca -0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1b5y n TYR 38 Cb 0.54 -2.92 -0.12 0.00 -0.31 0.00 0.00 39.34 36.53 1b5y n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1b5y s ASN 39 N -2.64 5.37 0.47 7.72 2.47 -1.20 -0.44 114.94 126.69 1b5y s ASN 39 Ca 0.00 -0.38 0.27 0.00 0.42 0.00 0.00 52.86 53.16 1b5y s ASN 39 Cb 0.00 -1.97 0.91 0.00 -1.45 0.00 0.00 41.25 38.74 1b5y s ASN 39 CO 0.00 -0.12 1.81 0.71 -3.72 0.00 0.00 177.10 175.78 1b5y h THR 40 N 5.62 0.27 -0.31 -5.21 1.35 -1.30 -3.25 112.91 110.08 1b5y h THR 40 Ca -0.35 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1b5y h THR 40 Cb 1.16 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1b5y h THR 40 CO 0.59 0.12 0.00 -2.11 -0.25 0.00 0.00 175.52 173.87 1b5y n ARG 41 N -3.21 2.15 -2.12 4.72 1.85 -1.26 -4.04 116.66 114.74 1b5y n ARG 41 Ca 0.01 -1.73 -0.42 0.00 -1.00 0.00 0.00 57.85 54.71 1b5y n ARG 41 Cb 0.43 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 1b5y n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1b5y s ALA 42 N -1.60 3.60 0.07 2.89 0.00 -1.23 -4.80 121.76 120.69 1b5y s ALA 42 Ca 0.35 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.55 1b5y s ALA 42 Cb 0.20 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1b5y s ALA 42 CO 0.28 -0.64 -0.11 0.95 0.00 0.00 0.00 175.76 176.25 1b5y s THR 43 N 0.51 0.86 -0.17 0.00 -4.23 -1.26 -0.39 115.64 110.96 1b5y s THR 43 Ca 0.61 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.78 1b5y s THR 43 Cb -0.39 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 72.56 1b5y s THR 43 CO 0.36 -0.36 0.24 0.21 -0.54 0.00 0.00 174.62 174.53 1b5y s ASN 44 N -1.85 0.86 -0.00 3.99 2.47 -0.51 -4.97 114.94 114.93 1b5y s ASN 44 Ca -0.03 0.16 -0.26 0.00 0.42 0.00 0.00 52.86 53.16 1b5y s ASN 44 Cb -0.08 0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 1b5y s ASN 44 CO 0.01 -0.28 0.80 -0.47 -3.72 0.00 0.00 177.10 173.44 1b5y s TYR 45 N 2.37 3.67 -0.71 0.43 5.04 -1.26 -1.23 117.35 125.66 1b5y s TYR 45 Ca 0.05 1.46 -0.09 0.00 -2.44 0.00 0.00 57.07 56.05 1b5y s TYR 45 Cb -0.14 -2.89 0.19 0.00 0.35 0.00 0.00 41.96 39.46 1b5y s TYR 45 CO -0.10 0.14 0.59 -0.80 -1.34 0.00 0.00 175.55 174.04 1b5y s ASN 46 N 0.49 6.02 0.60 4.32 0.01 -0.08 -4.92 114.94 121.37 1b5y s ASN 46 Ca 0.42 -2.69 0.29 0.00 -0.71 0.00 0.00 52.86 50.16 1b5y s ASN 46 Cb -0.20 -2.04 1.58 0.00 0.41 0.00 0.00 41.25 41.00 1b5y s ASN 46 CO 0.23 -0.50 2.00 0.00 -1.51 0.00 0.00 177.10 177.32 1b5y h ALA 47 N 7.52 1.92 -0.55 0.60 0.00 -1.95 -1.07 119.26 125.73 1b5y h ALA 47 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1b5y h ALA 47 Cb 1.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1b5y h ALA 47 CO 0.75 -0.48 0.04 0.78 0.00 0.00 0.00 179.25 180.34 1b5y h GLY 48 N 0.00 0.99 0.00 0.00 0.00 -1.95 -3.33 103.07 98.77 1b5y h GLY 48 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1b5y h GLY 48 CO -0.00 0.61 0.00 2.09 0.00 0.00 0.00 176.54 179.24 1b5y n ASP 49 N -4.21 1.27 -1.46 0.19 5.75 -0.95 -5.03 116.55 112.10 1b5y n ASP 49 Ca 0.03 -1.54 -0.14 0.00 -0.01 0.00 0.00 54.79 53.13 1b5y n ASP 49 Cb 0.30 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1b5y n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b5y n ARG 50 N -0.27 -1.10 -4.05 0.11 1.74 -0.45 -4.82 116.66 107.81 1b5y n ARG 50 Ca 0.00 0.81 -0.23 0.00 -0.77 0.00 0.00 57.85 57.66 1b5y n ARG 50 Cb 0.25 -5.05 -0.06 0.00 -1.02 0.00 0.00 32.46 26.59 1b5y n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b5y s SER 51 N -2.52 4.70 -0.01 0.55 1.04 -1.23 -4.48 113.70 111.75 1b5y s SER 51 Ca 0.00 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1b5y s SER 51 Cb 0.00 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.42 1b5y s SER 51 CO 0.00 -0.36 -0.06 -0.89 0.98 0.00 0.00 173.24 172.91 1b5y s THR 52 N -2.45 0.51 -0.13 2.02 2.01 -1.26 -0.90 115.64 115.44 1b5y s THR 52 Ca 0.39 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1b5y s THR 52 Cb -0.02 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1b5y s THR 52 CO 0.23 0.15 0.35 -1.81 -0.69 0.00 0.00 174.62 172.85 1b5y s ASP 53 N -0.10 6.53 -0.07 3.53 1.01 -0.36 -1.68 116.67 125.52 1b5y s ASP 53 Ca 0.02 0.62 0.05 0.00 0.71 0.00 0.00 52.55 53.95 1b5y s ASP 53 Cb -0.03 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1b5y s ASP 53 CO -0.00 0.10 -0.24 -0.31 0.21 0.00 0.00 175.17 174.94 1b5y s TYR 54 N 0.32 2.39 0.00 4.23 1.51 0.78 -1.42 117.35 125.16 1b5y s TYR 54 Ca 0.19 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1b5y s TYR 54 Cb -0.14 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1b5y s TYR 54 CO 0.06 -0.29 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1b5y n GLY 55 N 3.21 -1.84 0.27 0.71 0.00 0.47 -2.05 105.19 105.95 1b5y n GLY 55 Ca -0.18 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1b5y n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5y h ILE 56 N 0.00 1.10 -0.37 -0.61 2.10 -1.70 -1.66 117.51 116.38 1b5y h ILE 56 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1b5y h ILE 56 Cb 0.00 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1b5y h ILE 56 CO 0.00 0.13 0.00 0.49 -1.08 0.00 0.00 178.15 177.69 1b5y n PHE 57 N -4.42 0.47 -3.89 2.19 3.72 -1.26 -4.11 117.46 110.16 1b5y n PHE 57 Ca 0.00 -0.28 -0.39 0.00 -0.05 0.00 0.00 57.45 56.73 1b5y n PHE 57 Cb 0.14 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1b5y n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b5y n GLN 58 N 1.26 -0.71 -2.73 -1.08 1.13 -0.62 -4.92 117.38 109.71 1b5y n GLN 58 Ca 0.17 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 55.11 1b5y n GLN 58 Cb 0.54 -3.21 -0.05 0.00 0.11 0.00 0.00 30.24 27.63 1b5y n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b5y s ILE 59 N -3.47 4.22 0.02 5.09 1.01 -0.87 -4.46 121.20 122.74 1b5y s ILE 59 Ca 0.46 2.07 -0.25 0.00 0.00 0.00 0.00 60.65 62.92 1b5y s ILE 59 Cb -0.22 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1b5y s ILE 59 CO 0.92 0.42 0.78 0.21 0.00 0.00 0.00 174.94 177.28 1b5y s ASN 60 N -0.70 7.19 0.11 3.58 3.84 -1.26 -0.16 114.94 127.55 1b5y s ASN 60 Ca 0.43 1.43 0.18 0.00 0.21 0.00 0.00 52.86 55.11 1b5y s ASN 60 Cb -0.25 -2.47 0.76 0.00 -0.55 0.00 0.00 41.25 38.74 1b5y s ASN 60 CO 0.31 -0.05 1.55 -1.54 -2.79 0.00 0.00 177.10 174.59 1b5y n SER 61 N 3.13 0.29 0.10 -4.21 3.41 -0.68 -2.07 113.62 113.60 1b5y n SER 61 Ca -0.01 0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 1b5y n SER 61 Cb 0.50 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1b5y n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b5y h ARG 62 N 0.00 0.13 0.00 4.33 2.43 -1.83 -3.39 114.38 116.04 1b5y h ARG 62 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1b5y h ARG 62 Cb 0.28 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1b5y h ARG 62 CO 0.00 0.81 -0.93 0.66 -1.51 0.00 0.00 179.97 178.99 1b5y n TYR 63 N -3.73 0.00 -0.12 2.20 4.01 -1.18 -0.48 117.16 117.85 1b5y n TYR 63 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1b5y n TYR 63 Cb 0.71 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.61 1b5y n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1b5y n TRP 64 N -2.16 0.04 -4.23 -0.72 7.02 -0.88 -1.20 117.44 115.31 1b5y n TRP 64 Ca 0.00 0.01 -0.13 0.00 -1.02 0.00 0.00 57.50 56.36 1b5y n TRP 64 Cb 0.47 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.25 1b5y n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b5y s ASN 66 N -3.13 5.56 0.00 0.00 2.47 -0.39 -4.45 114.94 114.99 1b5y s ASN 66 Ca 0.17 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1b5y s ASN 66 Cb 0.04 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 1b5y s ASN 66 CO -0.00 0.04 0.85 -0.90 -3.72 0.00 0.00 177.10 173.36 1b5y n ASP 67 N 4.46 1.63 0.00 -4.21 5.68 -1.26 -1.59 116.55 121.25 1b5y n ASP 67 Ca -0.16 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1b5y n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1b5y n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b5y n GLY 68 N -0.36 1.07 0.26 6.12 0.00 -1.26 -4.73 105.19 106.29 1b5y n GLY 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1b5y n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b5y n LYS 69 N -1.96 1.65 -3.52 1.61 2.85 -1.26 -4.97 118.16 112.56 1b5y n LYS 69 Ca 0.00 -1.37 -0.38 0.00 -1.05 0.00 0.00 58.31 55.51 1b5y n LYS 69 Cb 0.00 -1.11 -0.10 0.00 -0.65 0.00 0.00 35.03 33.17 1b5y n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b5y s THR 70 N -0.77 5.26 0.27 0.58 2.01 -1.26 -4.97 115.64 116.76 1b5y s THR 70 Ca 0.09 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1b5y s THR 70 Cb 0.05 -3.60 -0.13 0.00 0.01 0.00 0.00 72.50 68.83 1b5y s THR 70 CO 0.07 0.24 1.42 -2.65 -0.69 0.00 0.00 174.62 173.01 1b5y n PRO 71 N 4.92 2.16 -4.09 4.92 -0.02 -1.26 -3.11 135.00 138.52 1b5y n PRO 71 Ca -0.12 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1b5y n PRO 71 Cb 0.51 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1b5y n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b5y n GLY 72 N 1.91 -0.44 3.89 -1.23 0.00 -1.26 -4.92 105.19 103.13 1b5y n GLY 72 Ca 0.10 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1b5y n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5y s ALA 73 N -3.14 3.43 0.41 4.61 0.00 -1.18 -5.00 121.76 120.90 1b5y s ALA 73 Ca 0.68 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1b5y s ALA 73 Cb -0.38 -2.56 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 1b5y s ALA 73 CO 0.84 -0.06 0.05 0.14 0.00 0.00 0.00 175.76 176.73 1b5y s VAL 74 N -2.42 2.06 -0.47 0.00 -7.23 0.36 -5.00 120.40 107.70 1b5y s VAL 74 Ca 0.48 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 1b5y s VAL 74 Cb -0.10 -2.98 0.26 0.00 0.56 0.00 0.00 36.38 34.12 1b5y s VAL 74 CO 0.35 0.00 0.62 -3.20 -0.31 0.00 0.00 175.10 172.56 1b5y n ASN 75 N -1.04 1.51 -0.02 4.85 5.15 -1.24 -3.83 115.26 120.65 1b5y n ASN 75 Ca -0.04 -2.99 0.04 0.00 -0.60 0.00 0.00 54.58 50.99 1b5y n ASN 75 Cb 0.66 -0.65 0.41 0.00 -0.53 0.00 0.00 39.78 39.68 1b5y n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b5y h ALA 76 N 3.96 1.70 0.00 5.20 0.00 -1.20 -0.53 119.26 128.39 1b5y h ALA 76 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b5y h ALA 76 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1b5y h ALA 76 CO 0.60 0.28 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1b5y n HIS 78 N -1.30 -1.94 -4.01 0.00 -0.00 -0.21 -4.98 115.22 102.78 1b5y n HIS 78 Ca 0.13 0.78 -0.08 0.00 -0.00 0.00 0.00 57.72 58.55 1b5y n HIS 78 Cb 0.24 -4.20 -0.09 0.00 -0.00 0.00 0.00 29.99 25.94 1b5y n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b5y s LEU 79 N -6.56 2.09 0.19 2.41 1.43 -1.26 -5.09 118.68 111.90 1b5y s LEU 79 Ca 0.11 -0.89 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 1b5y s LEU 79 Cb -0.03 0.49 -0.08 0.00 0.03 0.00 0.00 46.19 46.60 1b5y s LEU 79 CO 0.82 -0.65 0.73 -0.55 0.23 0.00 0.00 176.35 176.93 1b5y s SER 80 N -2.91 7.16 0.59 2.29 0.15 -1.26 -1.27 113.70 118.46 1b5y s SER 80 Ca 0.07 1.48 0.32 0.00 0.70 0.00 0.00 55.95 58.52 1b5y s SER 80 Cb 0.07 -2.44 1.85 0.00 -1.71 0.00 0.00 66.02 63.79 1b5y s SER 80 CO -0.10 0.10 2.23 0.00 1.20 0.00 0.00 173.24 176.68 1b5y h SER 82 N 0.00 0.40 0.19 0.00 0.87 -1.92 -1.17 113.55 111.92 1b5y h SER 82 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1b5y h SER 82 Cb 0.08 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1b5y h SER 82 CO 0.00 0.24 -0.04 0.00 -0.53 0.00 0.00 176.83 176.51 1b5y h ALA 83 N 1.69 1.30 -0.30 6.23 0.00 -1.77 -1.65 119.26 124.76 1b5y h ALA 83 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1b5y h ALA 83 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b5y h ALA 83 CO -0.08 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1b5y n LEU 84 N -3.57 2.13 -0.05 0.00 4.77 -0.44 -3.53 117.00 116.32 1b5y n LEU 84 Ca -0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1b5y n LEU 84 Cb 0.15 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1b5y n LEU 84 CO 0.27 0.43 0.46 0.18 -1.33 0.00 0.00 177.39 177.39 1b5y n LEU 85 N 0.40 1.85 -4.85 2.23 4.77 -0.62 -3.56 117.00 117.22 1b5y n LEU 85 Ca 0.11 -1.78 -0.30 0.00 -0.03 0.00 0.00 56.01 54.01 1b5y n LEU 85 Cb 0.39 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1b5y n LEU 85 CO 0.09 0.46 0.74 -1.10 -1.33 0.00 0.00 177.39 176.25 1b5y s GLN 86 N -0.80 2.32 0.17 3.23 -0.21 -1.23 -4.56 119.66 118.58 1b5y s GLN 86 Ca 0.02 0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.90 1b5y s GLN 86 Cb 0.01 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 32.07 1b5y s GLN 86 CO 0.01 -1.42 1.39 -0.44 -2.12 0.00 0.00 175.29 172.71 1b5y h ASP 87 N -0.94 0.17 -3.48 5.90 3.32 -1.93 -3.41 116.42 116.05 1b5y h ASP 87 Ca -0.46 -0.14 -0.57 0.00 0.02 0.00 0.00 57.03 55.87 1b5y h ASP 87 Cb 1.28 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1b5y h ASP 87 CO 0.62 0.95 0.80 0.21 -1.72 0.00 0.00 179.24 180.11 1b5y s ASN 88 N -6.88 6.77 0.00 6.45 3.84 -1.26 -4.92 114.94 118.95 1b5y s ASN 88 Ca -0.02 0.75 0.05 0.00 0.21 0.00 0.00 52.86 53.84 1b5y s ASN 88 Cb 0.10 -2.52 0.15 0.00 -0.55 0.00 0.00 41.25 38.43 1b5y s ASN 88 CO 0.82 -0.99 1.12 2.30 -2.79 0.00 0.00 177.10 177.56 1b5y n ILE 89 N 6.19 0.16 -0.16 -5.21 -5.35 -1.26 -4.45 119.36 109.28 1b5y n ILE 89 Ca 0.11 -0.16 -0.02 0.00 -0.27 0.00 0.00 62.75 62.40 1b5y n ILE 89 Cb 0.48 0.07 0.06 0.00 -1.74 0.00 0.00 39.64 38.51 1b5y n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b5y h ALA 90 N 3.25 0.49 -0.37 -1.28 0.00 -1.95 -0.79 119.26 118.60 1b5y h ALA 90 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1b5y h ALA 90 Cb 0.16 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1b5y h ALA 90 CO 0.00 -0.37 -0.40 -0.44 0.00 0.00 0.00 179.25 178.04 1b5y h ASP 91 N 0.14 1.00 -0.94 0.00 3.32 -1.88 -1.75 116.42 116.31 1b5y h ASP 91 Ca 0.25 -0.47 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1b5y h ASP 91 Cb 0.37 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1b5y h ASP 91 CO -0.39 1.27 0.62 0.00 -1.72 0.00 0.00 179.24 179.02 1b5y h ALA 92 N 0.76 1.35 -0.30 3.45 0.00 -1.70 0.83 119.26 123.66 1b5y h ALA 92 Ca 0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1b5y h ALA 92 Cb 1.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1b5y h ALA 92 CO 0.10 0.59 -0.26 0.28 0.00 0.00 0.00 179.25 179.96 1b5y h VAL 93 N 1.25 1.30 -0.87 0.00 2.07 -1.06 0.13 116.25 119.06 1b5y h VAL 93 Ca 0.35 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1b5y h VAL 93 Cb -0.10 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1b5y h VAL 93 CO -0.09 0.45 0.53 0.00 0.02 0.00 0.00 177.57 178.49 1b5y h ALA 94 N 0.72 1.29 -0.15 1.67 0.00 -0.79 -0.56 119.26 121.43 1b5y h ALA 94 Ca 0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1b5y h ALA 94 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1b5y h ALA 94 CO 0.07 0.61 -0.70 0.00 0.00 0.00 0.00 179.25 179.23 1b5y h ALA 96 N 0.76 1.15 -0.88 0.00 0.00 -0.27 -1.85 119.26 118.17 1b5y h ALA 96 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1b5y h ALA 96 Cb 1.30 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1b5y h ALA 96 CO 0.14 0.66 0.58 0.87 0.00 0.00 0.00 179.25 181.49 1b5y h LYS 97 N 1.21 1.06 0.05 0.00 1.57 -1.02 -2.66 116.57 116.77 1b5y h LYS 97 Ca 0.29 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1b5y h LYS 97 Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1b5y h LYS 97 CO -0.04 0.70 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.43 1b5y h ARG 98 N 1.09 -0.06 -0.69 3.15 9.65 -1.15 -2.96 114.38 123.41 1b5y h ARG 98 Ca 0.35 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.38 1b5y h ARG 98 Cb 0.04 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 28.54 1b5y h ARG 98 CO -0.11 0.13 0.17 0.28 2.80 0.00 0.00 179.97 183.24 1b5y h VAL 99 N -0.25 0.57 0.00 0.20 2.07 -1.03 -0.90 116.25 116.92 1b5y h VAL 99 Ca -0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1b5y h VAL 99 Cb 0.22 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1b5y h VAL 99 CO 0.01 0.05 0.00 1.33 0.02 0.00 0.00 177.57 178.98 1b5y n VAL 100 N -5.13 0.07 1.02 2.57 0.24 -1.07 -2.77 118.33 113.25 1b5y n VAL 100 Ca 0.12 0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.58 1b5y n VAL 100 Cb 0.40 -0.58 0.62 0.00 -1.47 0.00 0.00 33.84 32.81 1b5y n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1b5y n ARG 101 N -1.14 0.05 -2.21 7.34 1.74 -0.34 -4.30 116.66 117.80 1b5y n ARG 101 Ca 0.17 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 1b5y n ARG 101 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1b5y n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b5y s ASP 102 N -2.95 6.29 0.28 0.55 1.11 -1.12 -4.99 116.67 115.84 1b5y s ASP 102 Ca 0.15 1.26 0.01 0.00 0.18 0.00 0.00 52.55 54.15 1b5y s ASP 102 Cb 0.19 -2.40 0.66 0.00 1.07 0.00 0.00 42.92 42.44 1b5y s ASP 102 CO 0.51 -0.73 1.66 1.55 1.18 0.00 0.00 175.17 179.33 1b5y h PRO 103 N 0.04 0.22 0.00 8.23 0.13 -1.89 -1.64 132.00 137.09 1b5y h PRO 103 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1b5y h PRO 103 Cb 1.19 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1b5y h PRO 103 CO 0.62 0.15 -0.13 1.96 -0.23 0.00 0.00 178.00 180.37 1b5y h GLN 104 N 0.23 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.01 1b5y h GLN 104 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1b5y h GLN 104 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1b5y h GLN 104 CO -0.62 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.07 1b5y n GLY 105 N -1.08 2.49 0.27 3.46 0.00 -0.62 -2.16 105.19 107.55 1b5y n GLY 105 Ca -0.02 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1b5y n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5y h ILE 106 N 0.00 0.46 0.00 -0.61 6.09 -1.90 -2.80 117.51 118.75 1b5y h ILE 106 Ca 0.00 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1b5y h ILE 106 Cb 0.00 1.29 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1b5y h ILE 106 CO 0.00 0.09 0.00 0.54 -3.07 0.00 0.00 178.15 175.71 1b5y n ARG 107 N -3.56 0.08 0.30 2.19 1.74 -0.92 -2.92 116.66 113.56 1b5y n ARG 107 Ca -0.02 0.26 0.18 0.00 -0.77 0.00 0.00 57.85 57.50 1b5y n ARG 107 Cb 0.21 -1.50 0.99 0.00 -1.02 0.00 0.00 32.46 31.14 1b5y n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b5y h ALA 108 N 2.38 1.41 -2.86 7.54 0.00 -1.66 -3.38 119.26 122.69 1b5y h ALA 108 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1b5y h ALA 108 Cb 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.73 1b5y h ALA 108 CO 0.00 -0.06 -0.52 -1.58 0.00 0.00 0.00 179.25 177.09 1b5y s TRP 109 N -4.47 3.21 0.27 0.00 0.51 -1.15 -4.99 118.94 112.32 1b5y s TRP 109 Ca -0.05 -0.05 -0.02 0.00 -2.12 0.00 0.00 56.10 53.86 1b5y s TRP 109 Cb 0.14 -2.39 0.36 0.00 -0.81 0.00 0.00 33.47 30.77 1b5y s TRP 109 CO 0.50 -0.24 1.79 0.28 -0.51 0.00 0.00 176.95 178.77 1b5y h VAL 110 N 5.43 1.23 -0.12 4.03 2.07 -1.90 -2.52 116.25 124.48 1b5y h VAL 110 Ca -0.34 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1b5y h VAL 110 Cb 1.18 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1b5y h VAL 110 CO 0.58 0.33 0.09 0.00 0.02 0.00 0.00 177.57 178.58 1b5y h ALA 111 N 1.30 2.09 -0.50 1.67 0.00 -1.94 -0.80 119.26 121.08 1b5y h ALA 111 Ca 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1b5y h ALA 111 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1b5y h ALA 111 CO 0.01 -0.15 0.18 2.35 0.00 0.00 0.00 179.25 181.64 1b5y h TRP 112 N 0.00 0.77 -0.65 0.00 7.01 -1.79 -0.04 115.95 121.26 1b5y h TRP 112 Ca 0.06 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1b5y h TRP 112 Cb 0.24 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1b5y h TRP 112 CO 0.00 0.66 0.27 0.00 -2.79 0.00 0.00 178.44 176.58 1b5y h ARG 113 N 0.67 0.97 -0.20 2.65 3.08 -1.22 0.84 114.38 121.17 1b5y h ARG 113 Ca 0.16 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1b5y h ARG 113 Cb 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1b5y h ARG 113 CO -0.01 0.80 -0.41 -0.91 -1.07 0.00 0.00 179.97 178.38 1b5y h ASN 114 N 0.91 0.70 -0.00 7.04 2.35 -1.02 -3.35 115.58 122.20 1b5y h ASN 114 Ca 0.22 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1b5y h ASN 114 Cb 0.19 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1b5y h ASN 114 CO -0.02 1.12 -0.26 -2.11 -1.65 0.00 0.00 177.43 174.51 1b5y n ARG 115 N -4.24 3.08 0.00 0.81 0.00 -0.06 -4.86 116.66 111.40 1b5y n ARG 115 Ca -0.06 -0.32 0.00 0.00 -0.00 0.00 0.00 57.85 57.47 1b5y n ARG 115 Cb 0.54 -0.97 0.00 0.00 -0.00 0.00 0.00 32.46 32.03 1b5y n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b5y n GLN 117 N -2.43 2.23 -1.44 0.00 7.27 -0.20 -1.87 117.38 120.93 1b5y n GLN 117 Ca 0.00 0.80 -0.15 0.00 0.07 0.00 0.00 57.00 57.72 1b5y n GLN 117 Cb 0.44 -2.56 -0.07 0.00 2.41 0.00 0.00 30.24 30.47 1b5y n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1b5y n ASN 118 N 3.12 -5.20 -4.76 1.69 5.03 -1.26 -4.98 115.26 108.90 1b5y n ASN 118 Ca 0.15 0.38 -0.23 0.00 0.87 0.00 0.00 54.58 55.74 1b5y n ASN 118 Cb 0.31 -4.03 -0.06 0.00 -1.02 0.00 0.00 39.78 34.97 1b5y n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b5y s ARG 119 N -3.24 2.34 -0.81 3.52 0.52 -0.78 -5.04 118.95 115.45 1b5y s ARG 119 Ca 0.00 -1.67 -0.24 0.00 -0.52 0.00 0.00 55.73 53.30 1b5y s ARG 119 Cb 0.00 -2.13 0.06 0.00 0.52 0.00 0.00 34.95 33.39 1b5y s ARG 119 CO 0.00 -0.05 1.22 0.34 0.02 0.00 0.00 175.30 176.83 1b5y s ASP 120 N -3.93 6.31 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.10 1b5y s ASP 120 Ca 0.41 -1.04 0.17 0.00 -0.52 0.00 0.00 52.55 51.57 1b5y s ASP 120 Cb 0.00 -2.50 0.48 0.00 -1.46 0.00 0.00 42.92 39.44 1b5y s ASP 120 CO 0.24 -1.56 1.39 1.33 0.52 0.00 0.00 175.17 177.09 1b5y n VAL 121 N 6.27 0.55 -0.11 1.11 0.24 -1.26 -4.34 118.33 120.79 1b5y n VAL 121 Ca 0.11 -0.60 0.05 0.00 -2.04 0.00 0.00 64.34 61.86 1b5y n VAL 121 Cb 0.49 0.40 0.38 0.00 -1.47 0.00 0.00 33.84 33.64 1b5y n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b5y h ARG 122 N 2.88 0.65 -0.12 7.34 3.08 -1.93 -2.64 114.38 123.66 1b5y h ARG 122 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1b5y h ARG 122 Cb 0.65 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1b5y h ARG 122 CO 0.00 0.43 0.22 -0.56 -1.07 0.00 0.00 179.97 178.99 1b5y h GLN 123 N 0.67 0.00 0.00 0.04 3.07 -1.98 -2.20 115.11 114.71 1b5y h GLN 123 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.88 1b5y h GLN 123 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 1b5y h GLN 123 CO -0.07 0.00 -0.47 1.88 0.09 0.00 0.00 178.83 180.26 1b5y h TYR 124 N 0.00 0.00 -0.12 0.06 0.05 -1.81 -3.27 116.97 111.87 1b5y h TYR 124 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1b5y h TYR 124 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1b5y h TYR 124 CO 0.00 0.47 0.00 1.33 -1.05 0.00 0.00 178.16 178.91 1b5y n VAL 125 N -3.68 1.06 -2.22 -2.88 0.24 -0.85 -4.85 118.33 105.17 1b5y n VAL 125 Ca -0.01 -1.07 -0.42 0.00 -2.04 0.00 0.00 64.34 60.80 1b5y n VAL 125 Cb 0.55 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1b5y n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b5y s GLN 126 N -1.11 4.35 0.00 7.34 -1.52 -1.09 -2.94 119.66 124.69 1b5y s GLN 126 Ca 0.10 2.02 0.00 0.00 -1.95 0.00 0.00 55.36 55.53 1b5y s GLN 126 Cb 0.06 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 1b5y s GLN 126 CO 0.06 -0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.12 1b5y n GLY 127 N 3.30 1.59 0.02 3.09 0.00 -1.26 -4.88 105.19 107.05 1b5y n GLY 127 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1b5y n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5y n GLY 129 N 1.39 -0.03 0.32 0.00 0.00 -1.26 -4.85 105.19 100.77 1b5y n GLY 129 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1b5y n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65