#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i22 s VAL 2 N 0.00 2.11 0.41 3.15 1.01 -1.26 0.46 120.40 126.29 1i22 s VAL 2 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 61.98 60.41 1i22 s VAL 2 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1i22 s VAL 2 CO 0.00 0.21 1.01 -0.36 0.00 0.00 0.00 175.10 175.96 1i22 s PHE 3 N 1.18 3.29 0.41 5.22 0.08 -0.72 -5.00 117.98 122.44 1i22 s PHE 3 Ca -0.03 1.65 -0.22 0.00 0.12 0.00 0.00 56.93 58.44 1i22 s PHE 3 Cb -0.17 -3.03 -0.11 0.00 -0.57 0.00 0.00 43.02 39.14 1i22 s PHE 3 CO -0.08 -0.45 0.96 -1.21 -0.10 0.00 0.00 175.22 174.34 1i22 s GLU 4 N -2.69 4.28 0.17 0.44 0.41 -1.26 -4.86 118.70 115.19 1i22 s GLU 4 Ca 0.59 1.19 -0.24 0.00 -0.41 0.00 0.00 54.97 56.10 1i22 s GLU 4 Cb -0.18 -2.33 0.05 0.00 -1.78 0.00 0.00 34.13 29.89 1i22 s GLU 4 CO 0.23 0.01 1.58 -0.09 -0.49 0.00 0.00 175.26 176.50 1i22 h ARG 5 N 2.19 -0.23 -0.10 1.61 2.43 -1.97 0.51 114.38 118.82 1i22 h ARG 5 Ca -0.48 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 1i22 h ARG 5 Cb 1.19 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1i22 h ARG 5 CO 0.62 -0.15 -0.41 0.00 -1.51 0.00 0.00 179.97 178.52 1i22 h GLU 7 N 0.18 0.61 -0.46 0.00 4.81 -1.74 -0.83 114.58 117.15 1i22 h GLU 7 Ca 0.02 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1i22 h GLU 7 Cb 0.80 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1i22 h GLU 7 CO 0.06 0.42 -0.22 1.25 -0.73 0.00 0.00 179.01 179.79 1i22 h LEU 8 N 0.62 0.99 -0.83 1.64 5.85 -0.53 -2.09 115.31 120.96 1i22 h LEU 8 Ca 0.17 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1i22 h LEU 8 Cb -0.05 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 1i22 h LEU 8 CO -0.03 1.17 0.54 0.00 -0.34 0.00 0.00 178.44 179.77 1i22 h ALA 9 N 0.85 1.08 -0.38 1.25 0.00 -0.87 -1.11 119.26 120.07 1i22 h ALA 9 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1i22 h ALA 9 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i22 h ALA 9 CO 0.07 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 1i22 h ARG 10 N 1.06 0.77 -0.32 0.00 3.08 -1.10 -1.31 114.38 116.55 1i22 h ARG 10 Ca 0.32 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1i22 h ARG 10 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1i22 h ARG 10 CO -0.10 0.92 0.15 1.15 -1.07 0.00 0.00 179.97 181.02 1i22 h THR 11 N 0.67 1.16 -0.29 2.04 2.02 -0.66 -1.77 112.91 116.08 1i22 h THR 11 Ca 0.09 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1i22 h THR 11 Cb 0.74 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1i22 h THR 11 CO 0.06 0.17 0.01 -0.07 0.37 0.00 0.00 175.52 176.06 1i22 h LEU 12 N 0.37 0.40 -0.47 2.58 3.38 -1.02 -1.21 115.31 119.35 1i22 h LEU 12 Ca 0.11 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1i22 h LEU 12 Cb 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i22 h LEU 12 CO -0.01 0.46 -0.44 0.50 0.09 0.00 0.00 178.44 179.04 1i22 h LYS 13 N 0.42 0.78 -0.06 1.13 1.63 -0.99 -1.32 116.57 118.17 1i22 h LYS 13 Ca 0.09 -0.43 -0.06 0.00 -0.85 0.00 0.00 60.65 59.41 1i22 h LYS 13 Cb 0.26 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1i22 h LYS 13 CO 0.01 1.06 -0.23 -0.09 -3.45 0.00 0.00 179.45 176.75 1i22 h ARG 14 N 0.63 0.10 -0.59 1.90 2.43 -0.42 -2.20 114.38 116.23 1i22 h ARG 14 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1i22 h ARG 14 Cb 1.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1i22 h ARG 14 CO 0.10 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 180.17 1i22 n LEU 15 N -4.23 3.01 -0.44 3.80 4.77 -0.54 -4.92 117.00 118.45 1i22 n LEU 15 Ca -0.02 -1.52 -0.05 0.00 -0.03 0.00 0.00 56.01 54.40 1i22 n LEU 15 Cb 0.31 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1i22 n LEU 15 CO 0.38 0.53 -0.05 0.61 -1.33 0.00 0.00 177.39 177.52 1i22 n GLY 16 N 0.79 0.42 0.13 -0.72 0.00 -0.83 -4.92 105.19 100.07 1i22 n GLY 16 Ca 0.15 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.44 1i22 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1i22 h MET 17 N 0.00 0.00 -5.73 1.61 2.86 -1.46 -3.40 114.93 108.82 1i22 h MET 17 Ca -0.10 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.14 1i22 h MET 17 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1i22 h MET 17 CO 0.13 0.32 1.21 0.34 1.06 0.00 0.00 176.91 179.97 1i22 s ASP 18 N -6.07 4.75 0.00 1.22 2.15 -1.26 -2.42 116.67 115.04 1i22 s ASP 18 Ca 0.01 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1i22 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1i22 s ASP 18 CO 0.77 -2.82 0.00 0.61 -0.17 0.00 0.00 175.17 173.56 1i22 n GLY 19 N 6.11 0.33 3.65 2.66 0.00 0.16 -4.87 105.19 113.23 1i22 n GLY 19 Ca 0.33 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.85 1i22 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i22 n TYR 20 N -2.00 2.20 -2.19 1.61 9.36 -1.02 -0.66 117.16 124.47 1i22 n TYR 20 Ca 0.00 0.08 -0.16 0.00 3.32 0.00 0.00 57.90 61.14 1i22 n TYR 20 Cb 0.00 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 36.06 1i22 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1i22 n ARG 21 N 6.83 -1.84 -0.73 2.98 5.12 -1.26 -0.71 116.66 127.05 1i22 n ARG 21 Ca 0.26 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.99 1i22 n ARG 21 Cb 0.28 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1i22 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i22 n GLY 22 N -0.75 0.65 3.56 -0.13 0.00 0.17 -5.02 105.19 103.67 1i22 n GLY 22 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1i22 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i22 s ILE 23 N -2.10 5.25 0.73 -0.61 1.01 0.11 -4.91 121.20 120.66 1i22 s ILE 23 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1i22 s ILE 23 Cb 0.00 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1i22 s ILE 23 CO 0.00 0.06 1.07 -0.94 0.00 0.00 0.00 174.94 175.13 1i22 s SER 24 N 1.73 5.04 0.26 3.58 1.04 -1.26 0.39 113.70 124.47 1i22 s SER 24 Ca 0.09 1.65 -0.05 0.00 0.48 0.00 0.00 55.95 58.12 1i22 s SER 24 Cb -0.17 -2.47 0.31 0.00 0.10 0.00 0.00 66.02 63.80 1i22 s SER 24 CO 0.11 -1.67 1.93 0.25 0.98 0.00 0.00 173.24 174.84 1i22 h LEU 25 N -0.87 1.11 -1.81 2.42 5.85 -1.90 -0.95 115.31 119.16 1i22 h LEU 25 Ca -0.44 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1i22 h LEU 25 Cb 1.22 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1i22 h LEU 25 CO 0.55 0.79 -0.14 0.00 -0.34 0.00 0.00 178.44 179.31 1i22 h ALA 26 N 1.40 1.58 -0.10 1.25 0.00 -1.91 -0.72 119.26 120.75 1i22 h ALA 26 Ca 0.37 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1i22 h ALA 26 Cb -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1i22 h ALA 26 CO -0.09 0.17 -0.74 -0.91 0.00 0.00 0.00 179.25 177.68 1i22 h ASN 27 N 0.00 0.60 0.61 0.00 2.35 -1.52 -0.89 115.58 116.74 1i22 h ASN 27 Ca -0.00 -0.39 -0.15 0.00 -0.55 0.00 0.00 56.30 55.21 1i22 h ASN 27 Cb 0.28 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1i22 h ASN 27 CO 0.02 1.15 -0.68 -0.50 -1.65 0.00 0.00 177.43 175.76 1i22 h TRP 28 N 0.35 0.08 -0.49 1.19 4.06 -0.82 -1.83 115.95 118.50 1i22 h TRP 28 Ca -0.03 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 1i22 h TRP 28 Cb 1.32 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.45 1i22 h TRP 28 CO 0.05 0.72 0.03 0.52 -3.56 0.00 0.00 178.44 176.20 1i22 h MET 29 N 0.04 0.84 -0.42 0.49 2.86 -0.93 0.01 114.93 117.82 1i22 h MET 29 Ca -0.01 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1i22 h MET 29 Cb 1.21 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1i22 h MET 29 CO 0.09 0.87 0.23 0.00 1.06 0.00 0.00 176.91 179.16 1i22 h LEU 31 N 0.46 0.30 -0.62 0.00 5.85 -1.08 -2.16 115.31 118.06 1i22 h LEU 31 Ca 0.17 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1i22 h LEU 31 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1i22 h LEU 31 CO -0.10 0.29 0.30 0.00 -0.34 0.00 0.00 178.44 178.59 1i22 h ALA 32 N 1.02 0.81 -0.24 1.25 0.00 -0.51 -0.56 119.26 121.04 1i22 h ALA 32 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i22 h ALA 32 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1i22 h ALA 32 CO -0.01 0.37 0.08 -0.22 0.00 0.00 0.00 179.25 179.47 1i22 h LYS 33 N 0.86 0.19 0.00 0.00 1.63 -0.77 -0.82 116.57 117.67 1i22 h LYS 33 Ca 0.21 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1i22 h LYS 33 Cb 0.12 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1i22 h LYS 33 CO -0.03 0.13 -0.17 -1.49 -3.45 0.00 0.00 179.45 174.44 1i22 h TRP 34 N 0.20 0.00 0.09 1.91 4.06 -1.34 0.15 115.95 121.02 1i22 h TRP 34 Ca 0.10 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.71 1i22 h TRP 34 Cb 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 1i22 h TRP 34 CO -0.12 0.17 -1.93 0.39 -3.56 0.00 0.00 178.44 173.39 1i22 n GLU 35 N -3.20 0.72 0.00 0.49 -0.58 -0.22 -4.70 120.64 113.14 1i22 n GLU 35 Ca 0.02 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1i22 n GLU 35 Cb 0.50 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1i22 n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1i22 n SER 36 N -3.64 0.54 -1.00 1.62 3.41 -0.38 -4.90 113.62 109.27 1i22 n SER 36 Ca -0.34 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 1i22 n SER 36 Cb 0.98 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.88 1i22 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i22 n GLY 37 N 0.01 1.36 2.16 5.00 0.00 0.54 -2.19 105.19 112.07 1i22 n GLY 37 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1i22 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i22 n TYR 38 N -2.55 -0.03 -3.69 1.61 0.53 -1.19 -4.80 117.16 107.05 1i22 n TYR 38 Ca -0.13 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.38 1i22 n TYR 38 Cb 0.46 -1.39 -0.10 0.00 -1.03 0.00 0.00 39.34 37.29 1i22 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1i22 s ASN 39 N -2.92 5.91 0.57 7.72 2.47 -0.93 -1.76 114.94 126.00 1i22 s ASN 39 Ca 0.00 0.03 0.35 0.00 0.42 0.00 0.00 52.86 53.66 1i22 s ASN 39 Cb 0.00 -2.07 1.61 0.00 -1.45 0.00 0.00 41.25 39.34 1i22 s ASN 39 CO 0.00 0.03 2.08 0.71 -3.72 0.00 0.00 177.10 176.21 1i22 h THR 40 N 5.17 0.13 -0.44 -5.21 1.35 -0.32 -2.74 112.91 110.85 1i22 h THR 40 Ca -0.37 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1i22 h THR 40 Cb 1.18 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1i22 h THR 40 CO 0.62 0.03 0.00 0.54 -0.25 0.00 0.00 175.52 176.47 1i22 n ARG 41 N -3.19 2.34 -1.82 4.72 3.00 -1.26 -4.05 116.66 116.40 1i22 n ARG 41 Ca -0.01 -2.05 -0.41 0.00 -0.01 0.00 0.00 57.85 55.37 1i22 n ARG 41 Cb 0.25 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.22 1i22 n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1i22 s ALA 42 N -1.43 3.58 0.06 7.54 0.00 -1.04 -4.77 121.76 125.70 1i22 s ALA 42 Ca 0.39 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.92 1i22 s ALA 42 Cb 0.21 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1i22 s ALA 42 CO 0.29 -1.02 -0.09 0.95 0.00 0.00 0.00 175.76 175.89 1i22 s THR 43 N -1.04 0.67 -0.06 0.00 -4.23 -1.26 -0.92 115.64 108.81 1i22 s THR 43 Ca 0.53 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1i22 s THR 43 Cb -0.46 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.55 1i22 s THR 43 CO 0.61 -0.44 0.12 0.21 -0.54 0.00 0.00 174.62 174.59 1i22 s ASN 44 N -1.86 0.23 0.06 3.99 2.47 -0.51 -4.95 114.94 114.36 1i22 s ASN 44 Ca -0.05 0.25 -0.12 0.00 0.42 0.00 0.00 52.86 53.36 1i22 s ASN 44 Cb -0.07 0.14 -0.06 0.00 -1.45 0.00 0.00 41.25 39.81 1i22 s ASN 44 CO -0.00 -0.18 0.42 -0.47 -3.72 0.00 0.00 177.10 173.15 1i22 s TYR 45 N 1.52 3.64 -0.44 0.43 6.14 -1.26 -0.48 117.35 126.89 1i22 s TYR 45 Ca -0.05 0.88 0.03 0.00 0.64 0.00 0.00 57.07 58.57 1i22 s TYR 45 Cb -0.12 -2.22 0.12 0.00 0.42 0.00 0.00 41.96 40.16 1i22 s TYR 45 CO -0.05 0.56 0.18 -0.80 0.64 0.00 0.00 175.55 176.08 1i22 s ASN 46 N -1.51 4.64 0.55 4.32 0.01 0.93 -4.90 114.94 118.97 1i22 s ASN 46 Ca 0.30 -2.58 0.29 0.00 -0.71 0.00 0.00 52.86 50.16 1i22 s ASN 46 Cb -0.15 -1.67 1.46 0.00 0.41 0.00 0.00 41.25 41.30 1i22 s ASN 46 CO 0.16 -0.33 1.93 0.00 -1.51 0.00 0.00 177.10 177.35 1i22 h ALA 47 N 7.11 2.60 -3.00 0.60 0.00 -1.95 0.73 119.26 125.34 1i22 h ALA 47 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i22 h ALA 47 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1i22 h ALA 47 CO 0.62 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1i22 n GLY 48 N -1.65 -1.96 0.70 0.00 0.00 -1.26 -3.50 105.19 97.51 1i22 n GLY 48 Ca 0.14 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.39 1i22 n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i22 n ASP 49 N -0.30 2.02 -1.90 1.61 5.68 -1.11 -4.91 116.55 117.64 1i22 n ASP 49 Ca 0.00 -1.99 -0.17 0.00 -0.50 0.00 0.00 54.79 52.13 1i22 n ASP 49 Cb 0.00 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 39.72 1i22 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i22 n ARG 50 N 0.60 -1.35 -4.18 0.11 1.74 0.25 -4.76 116.66 109.08 1i22 n ARG 50 Ca 0.13 0.84 -0.23 0.00 -0.77 0.00 0.00 57.85 57.82 1i22 n ARG 50 Cb 0.32 -5.28 -0.06 0.00 -1.02 0.00 0.00 32.46 26.42 1i22 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i22 s SER 51 N -2.27 4.85 0.05 0.55 1.04 -1.06 -4.66 113.70 112.21 1i22 s SER 51 Ca 0.00 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 55.94 1i22 s SER 51 Cb 0.00 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.13 1i22 s SER 51 CO 0.00 -0.10 -0.22 -0.89 0.98 0.00 0.00 173.24 173.02 1i22 s THR 52 N -2.30 1.75 -0.20 2.02 2.01 -1.26 -0.05 115.64 117.60 1i22 s THR 52 Ca 0.34 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 1i22 s THR 52 Cb -0.06 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1i22 s THR 52 CO 0.22 0.19 0.12 -1.81 -0.69 0.00 0.00 174.62 172.65 1i22 s ASP 53 N -1.30 6.04 -0.03 3.53 1.01 0.37 -0.53 116.67 125.76 1i22 s ASP 53 Ca 0.08 0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.56 1i22 s ASP 53 Cb -0.09 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1i22 s ASP 53 CO 0.02 0.16 -0.19 -0.31 0.21 0.00 0.00 175.17 175.06 1i22 s TYR 54 N 0.49 2.56 0.00 4.23 2.02 0.08 -1.43 117.35 125.31 1i22 s TYR 54 Ca 0.07 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1i22 s TYR 54 Cb -0.12 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1i22 s TYR 54 CO -0.00 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1i22 n GLY 55 N 2.29 -1.57 0.37 0.71 0.00 -0.10 -1.30 105.19 105.60 1i22 n GLY 55 Ca -0.17 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1i22 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i22 h ILE 56 N 0.00 0.83 -0.42 -0.61 2.10 -1.69 -1.69 117.51 116.03 1i22 h ILE 56 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1i22 h ILE 56 Cb 0.00 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 35.96 1i22 h ILE 56 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 1i22 n PHE 57 N -4.51 0.55 -3.75 2.19 0.99 -1.26 -4.17 117.46 107.50 1i22 n PHE 57 Ca 0.15 -0.43 -0.31 0.00 -0.00 0.00 0.00 57.45 56.86 1i22 n PHE 57 Cb 0.48 -0.02 0.03 0.00 -1.00 0.00 0.00 39.48 38.97 1i22 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1i22 n GLN 58 N 0.90 -1.68 -2.60 -1.08 1.13 -0.64 -4.90 117.38 108.51 1i22 n GLN 58 Ca 0.15 0.43 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1i22 n GLN 58 Cb 0.48 -4.16 -0.03 0.00 0.11 0.00 0.00 30.24 26.64 1i22 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1i22 s ILE 59 N -3.56 4.55 0.16 5.09 1.01 -0.42 -4.49 121.20 123.53 1i22 s ILE 59 Ca 0.38 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.55 1i22 s ILE 59 Cb -0.14 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 1i22 s ILE 59 CO 0.87 0.11 1.15 0.21 0.00 0.00 0.00 174.94 177.28 1i22 s ASN 60 N 1.08 7.17 0.30 3.58 3.84 -1.26 -0.74 114.94 128.91 1i22 s ASN 60 Ca 0.54 2.13 0.26 0.00 0.21 0.00 0.00 52.86 56.00 1i22 s ASN 60 Cb -0.24 -2.60 0.93 0.00 -0.55 0.00 0.00 41.25 38.80 1i22 s ASN 60 CO 0.27 -0.31 1.76 0.77 -2.79 0.00 0.00 177.10 176.80 1i22 h SER 61 N 5.39 0.00 0.50 -4.21 4.64 -1.03 -1.40 113.55 117.42 1i22 h SER 61 Ca -0.44 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.63 1i22 h SER 61 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1i22 h SER 61 CO 0.74 0.00 -1.12 -0.09 -0.87 0.00 0.00 176.83 175.50 1i22 h ARG 62 N 0.00 0.33 0.00 4.77 9.65 -1.84 -3.41 114.38 123.89 1i22 h ARG 62 Ca 0.00 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1i22 h ARG 62 Cb 0.55 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1i22 h ARG 62 CO 0.00 1.17 -0.98 0.66 2.80 0.00 0.00 179.97 183.62 1i22 n TYR 63 N -3.63 0.00 0.00 2.20 4.02 -1.21 -1.27 117.16 117.27 1i22 n TYR 63 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1i22 n TYR 63 Cb 0.94 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 1i22 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1i22 n TRP 64 N -1.53 0.00 -4.30 -0.72 7.02 -0.54 -2.20 117.44 115.17 1i22 n TRP 64 Ca -0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.31 1i22 n TRP 64 Cb 0.09 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.88 1i22 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1i22 s ASN 66 N -3.20 5.81 0.00 0.00 2.47 0.24 -4.48 114.94 115.78 1i22 s ASN 66 Ca 0.19 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.61 1i22 s ASN 66 Cb 0.00 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1i22 s ASN 66 CO 0.04 0.18 0.61 -0.90 -3.72 0.00 0.00 177.10 173.31 1i22 n ASP 67 N 3.48 1.17 0.00 -4.21 5.68 -1.26 -0.64 116.55 120.77 1i22 n ASP 67 Ca -0.16 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1i22 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1i22 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i22 n GLY 68 N -0.16 0.73 0.03 6.12 0.00 -1.26 -4.58 105.19 106.08 1i22 n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1i22 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i22 n LYS 69 N 0.00 0.15 -2.62 1.61 2.85 -1.26 -4.84 118.16 114.05 1i22 n LYS 69 Ca 0.00 0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.90 1i22 n LYS 69 Cb 0.00 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 32.74 1i22 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1i22 s THR 70 N -3.09 3.98 0.41 0.58 2.01 -1.26 -5.03 115.64 113.23 1i22 s THR 70 Ca 0.09 1.82 -0.14 0.00 0.31 0.00 0.00 61.69 63.77 1i22 s THR 70 Cb 0.15 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.42 1i22 s THR 70 CO 0.70 0.37 0.82 -2.16 -0.69 0.00 0.00 174.62 173.65 1i22 s PRO 71 N -0.75 3.92 -1.23 4.92 0.04 -1.26 -3.98 135.00 136.65 1i22 s PRO 71 Ca 0.45 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1i22 s PRO 71 Cb -0.28 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1i22 s PRO 71 CO 0.34 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1i22 n GLY 72 N -1.03 1.21 3.77 0.56 0.00 -1.26 -4.92 105.19 103.51 1i22 n GLY 72 Ca 0.04 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1i22 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i22 s ALA 73 N -2.23 3.36 -0.02 4.61 0.00 -1.26 -4.86 121.76 121.37 1i22 s ALA 73 Ca 0.00 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.15 1i22 s ALA 73 Cb 0.00 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 1i22 s ALA 73 CO 0.00 -0.49 0.22 1.33 0.00 0.00 0.00 175.76 176.82 1i22 n VAL 74 N 0.66 0.04 -3.96 0.00 0.24 -0.40 -5.02 118.33 109.87 1i22 n VAL 74 Ca 0.01 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1i22 n VAL 74 Cb 0.44 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1i22 n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1i22 n ASN 75 N -1.89 -1.65 0.25 -1.34 5.15 -1.25 -4.85 115.26 109.67 1i22 n ASN 75 Ca -0.03 -1.09 0.11 0.00 -0.60 0.00 0.00 54.58 52.98 1i22 n ASN 75 Cb 0.31 -2.74 0.71 0.00 -0.53 0.00 0.00 39.78 37.53 1i22 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i22 h ALA 76 N 0.93 1.93 -0.00 5.20 0.00 -1.47 0.21 119.26 126.05 1i22 h ALA 76 Ca -0.65 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1i22 h ALA 76 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1i22 h ALA 76 CO 0.59 -0.06 -0.15 0.00 0.00 0.00 0.00 179.25 179.63 1i22 n HIS 78 N -1.10 -2.25 -3.80 0.00 -0.00 0.06 -4.99 115.22 103.13 1i22 n HIS 78 Ca 0.12 0.92 -0.13 0.00 -0.00 0.00 0.00 57.72 58.63 1i22 n HIS 78 Cb 0.30 -4.71 -0.13 0.00 -0.00 0.00 0.00 29.99 25.45 1i22 n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1i22 s LEU 79 N -6.77 1.26 0.27 2.41 0.20 -1.26 -5.05 118.68 109.75 1i22 s LEU 79 Ca 0.20 0.34 -0.30 0.00 0.69 0.00 0.00 54.13 55.07 1i22 s LEU 79 Cb -0.09 0.55 -0.09 0.00 -0.43 0.00 0.00 46.19 46.13 1i22 s LEU 79 CO 0.77 -0.07 1.07 -0.44 -0.29 0.00 0.00 176.35 177.39 1i22 s SER 80 N 0.25 7.33 0.54 3.68 0.01 -1.26 0.80 113.70 125.04 1i22 s SER 80 Ca -0.01 2.21 0.24 0.00 1.31 0.00 0.00 55.95 59.70 1i22 s SER 80 Cb -0.03 -2.62 1.51 0.00 0.21 0.00 0.00 66.02 65.10 1i22 s SER 80 CO -0.01 -0.09 2.16 0.00 0.41 0.00 0.00 173.24 175.71 1i22 h SER 82 N 0.00 0.53 0.20 0.00 4.64 -1.90 0.30 113.55 117.32 1i22 h SER 82 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1i22 h SER 82 Cb 0.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1i22 h SER 82 CO 0.01 0.31 0.00 0.29 -0.87 0.00 0.00 176.83 176.56 1i22 n LYS 83 N -4.49 0.08 -0.16 4.77 5.02 -0.89 -0.65 118.16 121.84 1i22 n LYS 83 Ca 0.12 0.50 0.11 0.00 -2.02 0.00 0.00 58.31 57.02 1i22 n LYS 83 Cb 0.37 -1.73 0.27 0.00 -0.02 0.00 0.00 35.03 33.92 1i22 n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1i22 n LEU 84 N -1.89 2.80 -0.75 -0.35 4.77 0.11 -3.88 117.00 117.80 1i22 n LEU 84 Ca 0.00 -1.22 0.07 0.00 -0.03 0.00 0.00 56.01 54.84 1i22 n LEU 84 Cb 0.08 -0.21 0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1i22 n LEU 84 CO 0.09 0.61 0.61 0.18 -1.33 0.00 0.00 177.39 177.55 1i22 n LEU 85 N 1.06 2.89 0.00 2.23 4.77 0.17 -3.83 117.00 124.30 1i22 n LEU 85 Ca 0.18 -1.69 -0.09 0.00 -0.03 0.00 0.00 56.01 54.38 1i22 n LEU 85 Cb 0.50 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1i22 n LEU 85 CO 0.14 0.68 0.23 -0.90 -1.33 0.00 0.00 177.39 176.21 1i22 n ASP 86 N 0.81 0.55 -0.21 -1.43 3.85 -1.25 -4.58 116.55 114.29 1i22 n ASP 86 Ca 0.13 -1.47 0.14 0.00 -0.71 0.00 0.00 54.79 52.88 1i22 n ASP 86 Cb 0.44 -0.27 0.55 0.00 -1.35 0.00 0.00 41.12 40.50 1i22 n ASP 86 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1i22 n ASP 87 N -2.96 0.78 -4.60 -1.12 8.00 -1.26 -4.74 116.55 110.64 1i22 n ASP 87 Ca 0.07 -0.86 -0.39 0.00 0.71 0.00 0.00 54.79 54.32 1i22 n ASP 87 Cb 0.24 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 1i22 n ASP 87 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1i22 s ASN 88 N -2.37 6.26 -0.00 -2.24 3.04 -1.26 -4.93 114.94 113.44 1i22 s ASN 88 Ca 0.30 0.27 0.13 0.00 0.04 0.00 0.00 52.86 53.61 1i22 s ASN 88 Cb 0.20 -2.21 0.38 0.00 -1.54 0.00 0.00 41.25 38.08 1i22 s ASN 88 CO 0.46 -0.20 1.32 2.30 -3.04 0.00 0.00 177.10 177.93 1i22 n ILE 89 N 5.13 0.58 -0.33 -5.21 -5.35 -1.26 -4.33 119.36 108.59 1i22 n ILE 89 Ca -0.08 -0.58 0.09 0.00 -0.27 0.00 0.00 62.75 61.91 1i22 n ILE 89 Cb 0.51 0.29 0.26 0.00 -1.74 0.00 0.00 39.64 38.95 1i22 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i22 h ALA 90 N 3.79 1.47 0.01 -1.28 0.00 -1.97 0.62 119.26 121.89 1i22 h ALA 90 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1i22 h ALA 90 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i22 h ALA 90 CO 0.00 -0.01 -0.90 0.38 0.00 0.00 0.00 179.25 178.71 1i22 h ASP 91 N 0.75 0.28 -0.45 0.00 2.03 -1.91 -1.84 116.42 115.28 1i22 h ASP 91 Ca 0.51 -0.23 -0.08 0.00 -0.73 0.00 0.00 57.03 56.50 1i22 h ASP 91 Cb 0.71 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 1i22 h ASP 91 CO -0.35 1.04 -0.02 0.44 -1.03 0.00 0.00 179.24 179.33 1i22 h ASP 92 N 0.11 0.85 -0.19 4.15 5.19 -1.57 -1.30 116.42 123.67 1i22 h ASP 92 Ca -0.05 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1i22 h ASP 92 Cb 1.54 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 1i22 h ASP 92 CO 0.14 0.92 0.06 0.58 -3.12 0.00 0.00 179.24 177.82 1i22 h VAL 93 N 0.81 1.18 -0.86 -1.35 2.07 -0.75 0.40 116.25 117.76 1i22 h VAL 93 Ca 0.15 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1i22 h VAL 93 Cb 0.51 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1i22 h VAL 93 CO 0.03 0.18 0.49 0.00 0.02 0.00 0.00 177.57 178.29 1i22 h ALA 94 N 0.88 1.25 -0.26 1.67 0.00 -1.17 0.08 119.26 121.71 1i22 h ALA 94 Ca 0.06 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1i22 h ALA 94 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i22 h ALA 94 CO -0.00 0.08 -0.49 0.00 0.00 0.00 0.00 179.25 178.84 1i22 h ALA 96 N 0.88 1.11 -0.07 0.00 0.00 0.53 -1.37 119.26 120.34 1i22 h ALA 96 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1i22 h ALA 96 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1i22 h ALA 96 CO 0.10 0.57 -0.16 0.87 0.00 0.00 0.00 179.25 180.63 1i22 h LYS 97 N 0.30 0.11 -0.25 0.00 1.57 -0.86 -2.55 116.57 114.89 1i22 h LYS 97 Ca 0.04 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1i22 h LYS 97 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1i22 h LYS 97 CO 0.06 0.28 -0.50 -0.09 -0.57 0.00 0.00 179.45 178.63 1i22 h ARG 98 N 0.11 0.77 -0.81 3.15 9.65 -1.04 -3.20 114.38 123.02 1i22 h ARG 98 Ca 0.02 -0.50 0.10 0.00 -1.10 0.00 0.00 59.98 58.50 1i22 h ARG 98 Cb 0.36 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 28.92 1i22 h ARG 98 CO 0.02 1.13 0.45 0.28 2.80 0.00 0.00 179.97 184.65 1i22 h VAL 99 N 0.52 0.87 0.00 0.20 2.07 -0.93 -1.34 116.25 117.64 1i22 h VAL 99 Ca 0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1i22 h VAL 99 Cb 1.11 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1i22 h VAL 99 CO 0.11 0.13 0.00 1.33 0.02 0.00 0.00 177.57 179.17 1i22 n VAL 100 N -4.78 0.11 1.08 2.57 0.24 -1.09 -2.18 118.33 114.28 1i22 n VAL 100 Ca 0.14 0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.60 1i22 n VAL 100 Cb 0.30 -0.59 0.59 0.00 -1.47 0.00 0.00 33.84 32.67 1i22 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1i22 n ARG 101 N -1.21 0.10 -2.23 7.34 1.74 -0.51 -4.22 116.66 117.66 1i22 n ARG 101 Ca 0.15 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 1i22 n ARG 101 Cb 0.18 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1i22 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i22 s ASP 102 N -2.91 5.61 0.37 0.55 -0.00 -0.92 -4.94 116.67 114.42 1i22 s ASP 102 Ca 0.16 0.88 0.13 0.00 -0.00 0.00 0.00 52.55 53.73 1i22 s ASP 102 Cb 0.19 -1.83 0.96 0.00 -0.00 0.00 0.00 42.92 42.24 1i22 s ASP 102 CO 0.54 -1.11 1.79 -0.65 -0.00 0.00 0.00 175.17 175.74 1i22 h PRO 103 N -0.30 0.52 0.00 8.23 0.11 -1.87 -0.92 132.00 137.77 1i22 h PRO 103 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i22 h PRO 103 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1i22 h PRO 103 CO 0.62 0.34 -0.12 1.04 -0.21 0.00 0.00 178.00 179.67 1i22 n GLN 104 N -4.66 0.07 0.00 1.05 6.02 -1.26 -5.02 117.38 113.58 1i22 n GLN 104 Ca 0.23 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1i22 n GLN 104 Cb 0.72 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1i22 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i22 n GLY 105 N 1.45 2.83 0.26 1.08 0.00 -0.35 -1.87 105.19 108.59 1i22 n GLY 105 Ca 0.06 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.00 1i22 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i22 h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.90 -2.51 117.51 114.59 1i22 h ILE 106 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1i22 h ILE 106 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 1i22 h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1i22 n ARG 107 N -2.83 0.41 0.12 2.19 1.74 -0.78 -2.81 116.66 114.69 1i22 n ARG 107 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1i22 n ARG 107 Cb 0.15 -1.31 0.30 0.00 -1.02 0.00 0.00 32.46 30.58 1i22 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i22 h ALA 108 N 2.43 1.27 -2.12 7.54 0.00 -1.60 -3.40 119.26 123.38 1i22 h ALA 108 Ca 0.00 -0.34 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 1i22 h ALA 108 Cb 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.56 1i22 h ALA 108 CO 0.00 0.50 0.22 -1.58 0.00 0.00 0.00 179.25 178.40 1i22 s TRP 109 N -4.30 3.03 0.42 0.00 0.51 -1.12 -4.92 118.94 112.55 1i22 s TRP 109 Ca -0.04 0.01 0.10 0.00 -2.12 0.00 0.00 56.10 54.04 1i22 s TRP 109 Cb 0.14 -3.50 0.89 0.00 -0.81 0.00 0.00 33.47 30.20 1i22 s TRP 109 CO 0.75 -0.93 2.01 -0.24 -0.51 0.00 0.00 176.95 178.02 1i22 h VAL 110 N 5.92 1.12 0.00 4.03 3.04 -1.89 -1.80 116.25 126.68 1i22 h VAL 110 Ca -0.25 -0.42 -0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1i22 h VAL 110 Cb 1.09 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1i22 h VAL 110 CO 0.93 0.15 -0.00 0.00 -1.01 0.00 0.00 177.57 177.63 1i22 h ALA 111 N 1.74 1.00 0.09 3.17 0.00 -1.95 0.63 119.26 123.94 1i22 h ALA 111 Ca 0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1i22 h ALA 111 Cb 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i22 h ALA 111 CO -0.00 0.00 -0.57 2.35 0.00 0.00 0.00 179.25 181.03 1i22 h TRP 112 N 0.00 0.40 -0.15 0.00 7.01 -1.67 -2.30 115.95 119.24 1i22 h TRP 112 Ca -0.00 -0.28 -0.02 0.00 2.11 0.00 0.00 58.89 60.70 1i22 h TRP 112 Cb 0.25 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1i22 h TRP 112 CO 0.00 1.21 0.01 0.00 -2.79 0.00 0.00 178.44 176.87 1i22 h ARG 113 N -0.53 0.21 0.00 2.65 3.08 -1.24 1.01 114.38 119.56 1i22 h ARG 113 Ca -0.10 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.71 1i22 h ARG 113 Cb 1.44 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 1i22 h ARG 113 CO 0.11 0.22 -1.63 0.09 -1.07 0.00 0.00 179.97 177.69 1i22 n ASN 114 N -4.42 0.72 -0.07 7.04 3.02 0.19 -4.18 115.26 117.57 1i22 n ASN 114 Ca -0.01 0.33 0.03 0.00 -0.03 0.00 0.00 54.58 54.90 1i22 n ASN 114 Cb 0.15 0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1i22 n ASN 114 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1i22 n ARG 115 N -2.88 3.78 0.00 3.52 5.12 -0.87 -4.84 116.66 120.49 1i22 n ARG 115 Ca -0.14 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 1i22 n ARG 115 Cb 0.92 -0.86 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1i22 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i22 n GLN 117 N -2.68 1.08 -1.16 0.00 7.27 0.12 -2.14 117.38 119.87 1i22 n GLN 117 Ca 0.00 0.39 -0.05 0.00 0.07 0.00 0.00 57.00 57.41 1i22 n GLN 117 Cb 0.43 -2.04 -0.02 0.00 2.41 0.00 0.00 30.24 31.03 1i22 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1i22 n ASN 118 N 3.14 -4.81 -4.79 1.69 5.03 -1.26 -4.95 115.26 109.31 1i22 n ASN 118 Ca 0.20 0.13 -0.28 0.00 0.87 0.00 0.00 54.58 55.50 1i22 n ASN 118 Cb 0.17 -2.78 -0.06 0.00 -1.02 0.00 0.00 39.78 36.09 1i22 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i22 s ARG 119 N -2.03 2.21 -0.21 3.52 0.52 -0.91 -5.08 118.95 116.97 1i22 s ARG 119 Ca 0.00 -2.12 -0.29 0.00 -0.52 0.00 0.00 55.73 52.80 1i22 s ARG 119 Cb 0.00 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 1i22 s ARG 119 CO 0.00 -0.36 1.29 0.34 0.02 0.00 0.00 175.30 176.59 1i22 s ASP 120 N -4.00 6.83 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.54 1i22 s ASP 120 Ca 0.25 1.52 0.06 0.00 -0.52 0.00 0.00 52.55 53.87 1i22 s ASP 120 Cb 0.02 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 39.10 1i22 s ASP 120 CO 0.15 -0.89 1.08 1.33 0.52 0.00 0.00 175.17 177.35 1i22 n VAL 121 N 5.71 0.84 0.24 1.11 0.24 -1.26 -4.66 118.33 120.55 1i22 n VAL 121 Ca 0.14 -0.92 0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1i22 n VAL 121 Cb 0.45 0.60 0.79 0.00 -1.47 0.00 0.00 33.84 34.21 1i22 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1i22 h ARG 122 N 1.23 0.00 -0.31 7.34 3.08 -1.93 -1.43 114.38 122.35 1i22 h ARG 122 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i22 h ARG 122 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1i22 h ARG 122 CO 0.00 0.00 0.19 -0.56 -1.07 0.00 0.00 179.97 178.53 1i22 h GLN 123 N 0.00 0.42 0.00 0.04 3.07 -1.98 -2.04 115.11 114.61 1i22 h GLN 123 Ca 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.75 1i22 h GLN 123 Cb 0.18 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 27.65 1i22 h GLN 123 CO -0.00 0.29 -0.00 1.88 0.09 0.00 0.00 178.83 181.09 1i22 h TYR 124 N 0.43 0.00 -0.08 0.06 0.05 -1.59 -2.55 116.97 113.29 1i22 h TYR 124 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1i22 h TYR 124 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1i22 h TYR 124 CO 0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1i22 n VAL 125 N -3.99 0.20 -1.66 -2.88 0.24 -0.79 -4.90 118.33 104.54 1i22 n VAL 125 Ca -0.03 -0.60 -0.50 0.00 -2.04 0.00 0.00 64.34 61.17 1i22 n VAL 125 Cb 0.09 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 1i22 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i22 n GLN 126 N 0.59 1.78 -2.20 7.34 3.00 -0.96 -2.01 117.38 124.92 1i22 n GLN 126 Ca 0.07 0.65 -0.14 0.00 -0.01 0.00 0.00 57.00 57.57 1i22 n GLN 126 Cb 0.30 -2.40 -0.01 0.00 0.00 0.00 0.00 30.24 28.13 1i22 n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i22 n GLY 127 N 3.67 -0.09 0.07 1.08 0.00 -1.26 -4.88 105.19 103.78 1i22 n GLY 127 Ca 0.21 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1i22 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i22 n GLY 129 N 1.49 -0.15 0.48 0.00 0.00 -1.26 -4.94 105.19 100.81 1i22 n GLY 129 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1i22 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65