#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jit s VAL 2 N 0.00 5.21 0.57 3.15 1.01 -1.26 -1.59 120.40 127.49 1jit s VAL 2 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1jit s VAL 2 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1jit s VAL 2 CO 0.00 -0.12 1.01 -0.36 0.00 0.00 0.00 175.10 175.63 1jit s PHE 3 N 1.89 3.45 0.42 5.22 0.40 -0.14 -5.01 117.98 124.21 1jit s PHE 3 Ca 0.09 1.41 -0.02 0.00 -0.60 0.00 0.00 56.93 57.81 1jit s PHE 3 Cb -0.17 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1jit s PHE 3 CO 0.11 -0.59 0.67 0.20 0.70 0.00 0.00 175.22 176.31 1jit s GLY 4 N -3.45 1.44 0.09 4.36 0.00 -1.26 -4.87 107.32 103.63 1jit s GLY 4 Ca 0.58 -0.77 -0.35 0.00 0.00 0.00 0.00 44.72 44.18 1jit s GLY 4 CO 0.41 -0.64 1.57 -0.09 0.00 0.00 0.00 173.10 174.34 1jit h ARG 5 N 0.47 -0.93 -0.19 2.90 2.43 -1.97 -1.30 114.38 115.78 1jit h ARG 5 Ca -0.48 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.66 1jit h ARG 5 Cb 1.22 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1jit h ARG 5 CO 0.61 -0.62 -0.27 0.00 -1.51 0.00 0.00 179.97 178.18 1jit h GLU 7 N 0.32 1.22 -0.21 0.00 4.81 -1.91 -1.56 114.58 117.25 1jit h GLU 7 Ca 0.05 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.95 1jit h GLU 7 Cb 0.65 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jit h GLU 7 CO 0.05 0.91 -0.53 1.25 -0.73 0.00 0.00 179.01 179.95 1jit h LEU 8 N 1.21 0.83 -0.73 1.64 5.85 -1.00 -2.20 115.31 120.92 1jit h LEU 8 Ca 0.30 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1jit h LEU 8 Cb 0.06 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1jit h LEU 8 CO -0.04 1.25 0.42 0.00 -0.34 0.00 0.00 178.44 179.73 1jit h ALA 9 N 0.60 0.98 -0.45 1.25 0.00 -1.12 0.12 119.26 120.64 1jit h ALA 9 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jit h ALA 9 Cb 1.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jit h ALA 9 CO 0.12 0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.51 1jit h ALA 10 N 1.36 0.61 -0.58 0.00 0.00 -1.25 -0.59 119.26 118.82 1jit h ALA 10 Ca 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jit h ALA 10 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jit h ALA 10 CO -0.17 0.39 0.27 0.00 0.00 0.00 0.00 179.25 179.73 1jit h ALA 11 N 0.92 0.75 -0.50 0.00 0.00 -0.72 -1.21 119.26 118.50 1jit h ALA 11 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jit h ALA 11 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jit h ALA 11 CO 0.02 0.33 0.02 0.52 0.00 0.00 0.00 179.25 180.13 1jit h MET 12 N 0.79 0.86 -0.47 0.00 2.86 -0.61 -2.42 114.93 115.94 1jit h MET 12 Ca 0.20 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1jit h MET 12 Cb 0.14 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1jit h MET 12 CO -0.02 0.89 0.29 -0.22 1.06 0.00 0.00 176.91 178.91 1jit h LYS 13 N 0.73 0.56 -0.03 1.72 3.64 -0.90 -1.52 116.57 120.78 1jit h LYS 13 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1jit h LYS 13 Cb 0.49 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1jit h LYS 13 CO 0.02 0.37 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.44 1jit h ARG 14 N 0.58 0.04 -0.40 1.90 2.43 -1.07 -1.61 114.38 116.25 1jit h ARG 14 Ca 0.19 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1jit h ARG 14 Cb -0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1jit h ARG 14 CO -0.08 0.08 0.00 0.72 -1.51 0.00 0.00 179.97 179.19 1jit n HIS 15 N -4.47 0.53 -0.97 2.20 8.25 -0.63 -4.94 115.22 115.20 1jit n HIS 15 Ca -0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1jit n HIS 15 Cb 0.14 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1jit n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jit n GLY 16 N 1.08 0.42 0.18 -1.41 0.00 -0.60 -4.97 105.19 99.89 1jit n GLY 16 Ca 0.13 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.35 1jit n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jit h LEU 17 N 0.00 0.00 -9.21 0.99 3.38 -1.59 -3.40 115.31 105.48 1jit h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1jit h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jit h LEU 17 CO 0.00 0.15 1.24 -0.62 0.09 0.00 0.00 178.44 179.30 1jit s ASP 18 N -6.17 6.28 -0.18 -0.43 2.15 -1.26 -1.43 116.67 115.63 1jit s ASP 18 Ca 0.05 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1jit s ASP 18 Cb 0.06 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jit s ASP 18 CO 0.71 -1.25 0.00 0.59 -0.17 0.00 0.00 175.17 175.05 1jit n ASN 19 N 8.46 -4.15 -4.65 -0.34 3.02 -0.06 -4.88 115.26 112.67 1jit n ASN 19 Ca 0.21 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1jit n ASN 19 Cb 0.43 -1.80 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 1jit n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jit s TYR 20 N -1.75 1.68 -1.59 3.10 5.04 -0.51 -1.41 117.35 121.90 1jit s TYR 20 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1jit s TYR 20 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1jit s TYR 20 CO 0.00 -4.28 0.00 0.54 -1.34 0.00 0.00 175.55 170.47 1jit n ARG 21 N 7.55 -1.40 -0.78 4.97 5.12 -1.26 -2.31 116.66 128.55 1jit n ARG 21 Ca 0.20 0.91 0.00 0.00 -1.93 0.00 0.00 57.85 57.03 1jit n ARG 21 Cb 0.43 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 1jit n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jit n GLY 22 N -0.98 0.76 3.49 -0.13 0.00 -0.50 -5.02 105.19 102.81 1jit n GLY 22 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1jit n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jit s TYR 23 N -2.84 3.23 0.75 1.61 2.02 -0.98 -4.91 117.35 116.23 1jit s TYR 23 Ca 0.00 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 1jit s TYR 23 Cb 0.00 -2.54 0.05 0.00 -0.40 0.00 0.00 41.96 39.07 1jit s TYR 23 CO 0.00 -0.48 1.18 -1.54 -1.57 0.00 0.00 175.55 173.14 1jit s SER 24 N 1.70 4.14 0.29 2.29 1.04 -1.26 -0.88 113.70 121.02 1jit s SER 24 Ca 0.06 2.26 0.04 0.00 0.48 0.00 0.00 55.95 58.79 1jit s SER 24 Cb -0.18 -2.58 0.73 0.00 0.10 0.00 0.00 66.02 64.09 1jit s SER 24 CO 0.10 -2.29 1.70 0.25 0.98 0.00 0.00 173.24 173.98 1jit h LEU 25 N -0.52 0.38 -1.31 2.42 5.85 -1.90 -0.23 115.31 120.00 1jit h LEU 25 Ca -0.47 0.15 0.21 0.00 0.84 0.00 0.00 57.88 58.61 1jit h LEU 25 Cb 1.28 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.34 1jit h LEU 25 CO 0.49 0.02 0.62 1.23 -0.34 0.00 0.00 178.44 180.46 1jit h GLY 26 N 0.43 1.25 0.97 3.75 0.00 -1.91 -1.60 103.07 105.96 1jit h GLY 26 Ca 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1jit h GLY 26 CO -0.51 -0.04 0.20 3.43 0.00 0.00 0.00 176.54 179.62 1jit h ASN 27 N 0.54 0.65 -0.16 0.19 2.35 -1.26 -1.58 115.58 116.30 1jit h ASN 27 Ca 0.53 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.99 1jit h ASN 27 Cb 1.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1jit h ASN 27 CO -0.27 0.63 -0.35 -0.50 -1.65 0.00 0.00 177.43 175.29 1jit h TRP 28 N 0.63 0.79 -0.30 1.19 4.06 -1.38 -1.60 115.95 119.35 1jit h TRP 28 Ca 0.16 -0.22 -0.17 0.00 2.06 0.00 0.00 58.89 60.72 1jit h TRP 28 Cb 0.17 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1jit h TRP 28 CO 0.00 0.93 -0.49 0.28 -3.56 0.00 0.00 178.44 175.60 1jit h VAL 29 N 0.56 1.28 -0.75 1.49 2.07 -1.36 -1.86 116.25 117.68 1jit h VAL 29 Ca 0.06 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 1jit h VAL 29 Cb 0.87 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1jit h VAL 29 CO 0.08 0.55 0.26 0.00 0.02 0.00 0.00 177.57 178.48 1jit h ALA 31 N 1.17 0.76 -0.55 0.00 0.00 -1.15 -2.72 119.26 116.77 1jit h ALA 31 Ca 0.25 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1jit h ALA 31 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jit h ALA 31 CO -0.01 0.52 -0.08 0.00 0.00 0.00 0.00 179.25 179.67 1jit h ALA 32 N 1.00 0.81 0.18 0.00 0.00 -1.01 -0.54 119.26 119.70 1jit h ALA 32 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jit h ALA 32 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1jit h ALA 32 CO 0.01 0.67 -0.22 -0.22 0.00 0.00 0.00 179.25 179.49 1jit h LYS 33 N 0.91 -0.44 0.00 0.00 1.63 -0.98 -1.57 116.57 116.13 1jit h LYS 33 Ca 0.15 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1jit h LYS 33 Cb 0.64 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1jit h LYS 33 CO 0.04 -0.29 -0.04 0.74 -3.45 0.00 0.00 179.45 176.45 1jit h PHE 34 N -0.45 0.00 0.21 1.91 0.04 -1.47 0.47 116.94 117.65 1jit h PHE 34 Ca 0.01 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.44 1jit h PHE 34 Cb 0.44 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 1jit h PHE 34 CO -0.18 0.00 -1.59 0.93 -0.60 0.00 0.00 178.31 176.87 1jit h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -0.99 -3.43 114.58 116.51 1jit h GLU 35 Ca 0.00 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1jit h GLU 35 Cb 0.89 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1jit h GLU 35 CO 0.00 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1jit n SER 36 N -3.68 0.18 -3.42 1.42 3.41 -0.62 -4.83 113.62 106.07 1jit n SER 36 Ca -0.21 -1.02 -0.24 0.00 -0.26 0.00 0.00 58.87 57.14 1jit n SER 36 Cb 1.07 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 65.09 1jit n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jit n ASN 37 N -0.01 -6.34 -1.46 4.04 5.15 0.16 -1.85 115.26 114.95 1jit n ASN 37 Ca 0.00 -0.46 -0.18 0.00 -0.60 0.00 0.00 54.58 53.34 1jit n ASN 37 Cb 0.25 -5.03 -0.07 0.00 -0.53 0.00 0.00 39.78 34.41 1jit n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jit n PHE 38 N -4.87 -0.12 -3.62 1.20 3.72 -1.17 -4.84 117.46 107.77 1jit n PHE 38 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 1jit n PHE 38 Cb 0.58 -3.11 -0.11 0.00 -0.94 0.00 0.00 39.48 35.90 1jit n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jit s ASN 39 N -2.73 5.70 0.61 4.37 2.47 -0.77 -0.96 114.94 123.62 1jit s ASN 39 Ca 0.00 -0.58 0.39 0.00 0.42 0.00 0.00 52.86 53.09 1jit s ASN 39 Cb 0.00 -2.04 1.90 0.00 -1.45 0.00 0.00 41.25 39.66 1jit s ASN 39 CO 0.00 -0.24 2.18 0.71 -3.72 0.00 0.00 177.10 176.04 1jit h THR 40 N 5.65 0.05 -0.41 -5.21 1.35 -1.61 -2.68 112.91 110.05 1jit h THR 40 Ca -0.31 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1jit h THR 40 Cb 1.14 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1jit h THR 40 CO 0.63 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 1jit n GLN 41 N -3.14 2.13 -2.07 4.72 6.02 -1.26 -4.03 117.38 119.74 1jit n GLN 41 Ca -0.01 -1.73 -0.41 0.00 -0.01 0.00 0.00 57.00 54.83 1jit n GLN 41 Cb 0.18 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1jit n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jit s ALA 42 N -1.45 3.59 0.02 -1.58 0.00 -1.01 -4.82 121.76 116.50 1jit s ALA 42 Ca 0.34 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1jit s ALA 42 Cb 0.18 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1jit s ALA 42 CO 0.25 -0.68 -0.03 0.95 0.00 0.00 0.00 175.76 176.25 1jit s THR 43 N -0.13 0.15 -0.20 0.00 -4.23 -1.26 -1.06 115.64 108.91 1jit s THR 43 Ca 0.57 -0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 60.18 1jit s THR 43 Cb -0.40 -0.27 0.09 0.00 1.34 0.00 0.00 72.50 73.25 1jit s THR 43 CO 0.43 -0.43 0.45 0.20 -0.54 0.00 0.00 174.62 174.73 1jit s ASN 44 N -1.30 -0.41 0.17 3.99 -0.87 -0.92 -4.97 114.94 110.62 1jit s ASN 44 Ca -0.13 1.03 -0.20 0.00 -1.57 0.00 0.00 52.86 51.99 1jit s ASN 44 Cb -0.09 1.28 -0.08 0.00 -0.02 0.00 0.00 41.25 42.34 1jit s ASN 44 CO -0.01 -0.22 0.68 -0.60 -2.57 0.00 0.00 177.10 174.38 1jit s ARG 45 N 2.29 4.27 0.36 -0.60 3.52 -1.26 -0.50 118.95 127.02 1jit s ARG 45 Ca -0.04 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.48 1jit s ARG 45 Cb -0.11 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1jit s ARG 45 CO -0.14 0.48 0.40 -0.80 -0.81 0.00 0.00 175.30 174.44 1jit s ASN 46 N -1.47 5.54 0.49 -2.12 0.02 0.77 -4.97 114.94 113.21 1jit s ASN 46 Ca 0.38 -0.42 0.18 0.00 -1.02 0.00 0.00 52.86 51.99 1jit s ASN 46 Cb -0.18 -0.96 1.21 0.00 0.02 0.00 0.00 41.25 41.34 1jit s ASN 46 CO 0.21 -0.48 2.08 0.71 0.02 0.00 0.00 177.10 179.64 1jit h THR 47 N 1.02 0.97 0.00 1.60 1.35 -1.98 -2.01 112.91 113.85 1jit h THR 47 Ca -0.44 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1jit h THR 47 Cb 1.26 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1jit h THR 47 CO 0.55 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1jit n ASP 48 N -4.28 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.26 1jit n ASP 48 Ca -0.03 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1jit n ASP 48 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1jit n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jit n GLY 49 N 0.71 1.38 3.90 6.12 0.00 -0.76 -5.04 105.19 111.50 1jit n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1jit n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jit s SER 50 N -2.72 5.30 0.01 1.61 1.04 -1.26 -4.75 113.70 112.93 1jit s SER 50 Ca 0.00 0.92 0.03 0.00 0.48 0.00 0.00 55.95 57.38 1jit s SER 50 Cb 0.00 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 1jit s SER 50 CO 0.00 -1.37 -0.09 -0.89 0.98 0.00 0.00 173.24 171.87 1jit s THR 51 N -3.29 0.69 -0.12 2.02 2.01 -1.26 -0.16 115.64 115.53 1jit s THR 51 Ca 0.58 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 1jit s THR 51 Cb -0.11 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1jit s THR 51 CO 0.49 0.02 0.22 -1.81 -0.69 0.00 0.00 174.62 172.85 1jit s ASP 52 N -0.66 6.44 0.00 3.53 1.01 0.34 -1.50 116.67 125.83 1jit s ASP 52 Ca 0.00 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.84 1jit s ASP 52 Cb -0.05 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1jit s ASP 52 CO 0.00 0.29 -0.19 -0.31 0.21 0.00 0.00 175.17 175.16 1jit s TYR 53 N -0.46 1.72 0.01 4.23 1.51 -0.42 -2.17 117.35 121.76 1jit s TYR 53 Ca 0.15 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1jit s TYR 53 Cb -0.13 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1jit s TYR 53 CO 0.04 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1jit n GLY 54 N 2.37 -2.12 0.37 0.71 0.00 -0.22 -1.39 105.19 104.90 1jit n GLY 54 Ca -0.16 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.57 1jit n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jit h ILE 55 N -0.02 0.82 -0.33 -0.61 2.10 -1.71 -1.44 117.51 116.32 1jit h ILE 55 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1jit h ILE 55 Cb 0.02 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 1jit h ILE 55 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1jit n LEU 56 N -4.45 3.35 -3.99 2.19 4.77 -1.26 -4.04 117.00 113.57 1jit n LEU 56 Ca 0.11 -2.38 -0.43 0.00 -0.03 0.00 0.00 56.01 53.27 1jit n LEU 56 Cb 0.48 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1jit n LEU 56 CO 0.34 0.71 -0.15 0.00 -1.33 0.00 0.00 177.39 176.97 1jit n GLN 57 N 0.17 -0.48 -2.63 3.23 1.13 -0.54 -4.89 117.38 113.36 1jit n GLN 57 Ca 0.16 0.18 -0.42 0.00 -1.94 0.00 0.00 57.00 54.98 1jit n GLN 57 Cb 0.61 -2.80 -0.03 0.00 0.11 0.00 0.00 30.24 28.14 1jit n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jit s ILE 58 N -3.48 4.65 0.25 5.09 1.01 -0.48 -4.40 121.20 123.84 1jit s ILE 58 Ca 0.47 1.91 -0.30 0.00 0.00 0.00 0.00 60.65 62.73 1jit s ILE 58 Cb -0.24 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 1jit s ILE 58 CO 0.95 0.13 1.07 0.21 0.00 0.00 0.00 174.94 177.29 1jit s ASN 59 N 1.05 7.35 0.28 3.58 3.84 -1.26 -1.30 114.94 128.47 1jit s ASN 59 Ca 0.53 2.16 0.26 0.00 0.21 0.00 0.00 52.86 56.02 1jit s ASN 59 Cb -0.23 -2.62 0.84 0.00 -0.55 0.00 0.00 41.25 38.69 1jit s ASN 59 CO 0.27 -0.09 1.75 0.77 -2.79 0.00 0.00 177.10 177.01 1jit h SER 60 N 4.16 0.00 -0.52 -4.21 4.64 -1.52 -2.36 113.55 113.74 1jit h SER 60 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1jit h SER 60 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1jit h SER 60 CO 0.68 0.00 0.21 -0.09 -0.87 0.00 0.00 176.83 176.77 1jit h ARG 61 N 0.00 0.82 0.00 4.77 9.65 -1.85 -3.39 114.38 124.38 1jit h ARG 61 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1jit h ARG 61 Cb 0.65 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1jit h ARG 61 CO 0.00 0.68 -0.79 0.91 2.80 0.00 0.00 179.97 183.57 1jit n TRP 62 N -4.32 0.00 -0.02 2.20 7.02 -1.23 -0.59 117.44 120.49 1jit n TRP 62 Ca 0.05 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.56 1jit n TRP 62 Cb 0.17 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.92 1jit n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jit n TRP 63 N -1.88 0.19 -3.98 -5.99 7.02 -0.89 -1.04 117.44 110.87 1jit n TRP 63 Ca 0.00 0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1jit n TRP 63 Cb 0.39 -0.76 -0.08 0.00 -2.42 0.00 0.00 31.31 28.45 1jit n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jit s ASN 65 N -2.95 5.43 -0.01 0.00 2.47 -0.74 -4.58 114.94 114.56 1jit s ASN 65 Ca 0.15 -0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.37 1jit s ASN 65 Cb 0.05 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.90 1jit s ASN 65 CO -0.03 0.06 0.99 -0.90 -3.72 0.00 0.00 177.10 173.50 1jit n ASP 66 N 4.30 1.96 0.00 -4.21 5.68 -1.26 -1.02 116.55 122.00 1jit n ASP 66 Ca -0.16 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1jit n ASP 66 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1jit n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jit n GLY 67 N -0.52 0.19 0.38 6.12 0.00 -1.26 -4.78 105.19 105.33 1jit n GLY 67 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1jit n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jit n ARG 68 N -0.79 0.28 -3.86 1.61 1.85 -1.26 -4.94 116.66 109.55 1jit n ARG 68 Ca 0.00 -1.28 -0.30 0.00 -1.00 0.00 0.00 57.85 55.28 1jit n ARG 68 Cb 0.23 -0.69 -0.11 0.00 -1.05 0.00 0.00 32.46 30.83 1jit n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jit s THR 69 N -0.56 3.14 0.11 8.89 2.01 -1.26 -4.91 115.64 123.06 1jit s THR 69 Ca 0.06 -4.07 -0.35 0.00 0.31 0.00 0.00 61.69 57.64 1jit s THR 69 Cb 0.05 -3.04 -0.17 0.00 0.01 0.00 0.00 72.50 69.35 1jit s THR 69 CO 0.01 -0.99 1.10 -2.65 -0.69 0.00 0.00 174.62 171.39 1jit n PRO 70 N 2.20 0.70 -2.82 4.92 -0.02 -1.26 -2.06 135.00 136.66 1jit n PRO 70 Ca 0.18 0.25 -0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1jit n PRO 70 Cb 0.35 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1jit n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jit n GLY 71 N 1.97 -0.32 3.95 -1.23 0.00 -1.26 -5.01 105.19 103.30 1jit n GLY 71 Ca 0.17 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1jit n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jit s SER 72 N -2.69 5.82 0.34 1.61 1.04 -0.88 -5.05 113.70 113.89 1jit s SER 72 Ca 0.22 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.47 1jit s SER 72 Cb -0.10 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.80 1jit s SER 72 CO 0.27 -0.39 0.31 -0.13 0.98 0.00 0.00 173.24 174.27 1jit s ARG 73 N -4.12 2.74 -0.42 4.02 1.81 0.25 -4.99 118.95 118.23 1jit s ARG 73 Ca 0.43 -1.29 0.10 0.00 -1.72 0.00 0.00 55.73 53.26 1jit s ARG 73 Cb -0.09 -2.49 0.34 0.00 -0.45 0.00 0.00 34.95 32.27 1jit s ARG 73 CO 0.30 0.08 0.77 -1.71 -0.68 0.00 0.00 175.30 174.06 1jit n ASN 74 N -1.40 1.65 0.25 0.23 5.15 -1.19 -3.89 115.26 116.07 1jit n ASN 74 Ca -0.01 -3.15 0.16 0.00 -0.60 0.00 0.00 54.58 50.97 1jit n ASN 74 Cb 0.60 -0.61 0.86 0.00 -0.53 0.00 0.00 39.78 40.09 1jit n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jit h LEU 75 N 3.06 0.00 -0.45 1.20 3.38 -1.18 0.06 115.31 121.37 1jit h LEU 75 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jit h LEU 75 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jit h LEU 75 CO 0.57 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.78 1jit n ASN 77 N -0.74 -2.20 -3.77 0.00 3.02 0.01 -5.00 115.26 106.57 1jit n ASN 77 Ca 0.11 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.82 1jit n ASN 77 Cb 0.36 -4.58 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 1jit n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1jit s ILE 78 N -3.49 0.07 0.30 2.41 -4.36 -1.26 -5.08 121.20 109.80 1jit s ILE 78 Ca 0.09 -0.58 -0.28 0.00 -0.26 0.00 0.00 60.65 59.62 1jit s ILE 78 Cb -0.04 -0.75 -0.09 0.00 1.25 0.00 0.00 42.46 42.82 1jit s ILE 78 CO 0.77 -0.32 1.11 -2.84 0.24 0.00 0.00 174.94 173.90 1jit s PRO 79 N -1.88 4.54 0.44 0.37 0.02 -1.26 -1.79 135.00 135.44 1jit s PRO 79 Ca -0.10 1.79 0.15 0.00 0.02 0.00 0.00 61.00 62.86 1jit s PRO 79 Cb -0.03 -3.08 1.05 0.00 0.02 0.00 0.00 34.50 32.46 1jit s PRO 79 CO 0.01 0.12 1.97 0.00 -0.33 0.00 0.00 177.00 178.77 1jit h SER 81 N 0.39 0.00 0.55 0.00 4.64 -1.91 0.89 113.55 118.11 1jit h SER 81 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1jit h SER 81 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1jit h SER 81 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 1jit h ALA 82 N 1.84 1.00 -0.01 5.18 0.00 -1.51 -2.27 119.26 123.50 1jit h ALA 82 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jit h ALA 82 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jit h ALA 82 CO -0.00 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.48 1jit n LEU 83 N -2.78 0.56 -0.79 0.00 4.77 0.31 -3.52 117.00 115.54 1jit n LEU 83 Ca -0.00 -0.11 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1jit n LEU 83 Cb 0.19 -0.08 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1jit n LEU 83 CO 0.21 0.10 0.57 0.18 -1.33 0.00 0.00 177.39 177.12 1jit n LEU 84 N -0.70 2.71 -4.72 2.23 4.77 -0.85 -3.92 117.00 116.50 1jit n LEU 84 Ca 0.19 -1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 54.64 1jit n LEU 84 Cb 0.24 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1jit n LEU 84 CO 0.20 0.52 0.75 -0.55 -1.33 0.00 0.00 177.39 176.99 1jit s SER 85 N -1.41 4.00 0.16 -1.43 0.15 -1.23 -4.23 113.70 109.72 1jit s SER 85 Ca 0.24 2.22 0.23 0.00 0.70 0.00 0.00 55.95 59.35 1jit s SER 85 Cb 0.16 -2.57 0.90 0.00 -1.71 0.00 0.00 66.02 62.79 1jit s SER 85 CO 0.23 -2.38 1.70 -1.54 1.20 0.00 0.00 173.24 172.45 1jit n SER 86 N -3.15 0.49 -4.55 5.45 3.41 -1.26 -4.43 113.62 109.58 1jit n SER 86 Ca 0.12 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.91 1jit n SER 86 Cb 0.51 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1jit n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jit s ASP 87 N -3.91 6.24 0.00 4.04 -1.08 -1.26 -4.96 116.67 115.74 1jit s ASP 87 Ca 0.08 -0.13 0.28 0.00 -0.52 0.00 0.00 52.55 52.25 1jit s ASP 87 Cb 0.11 -2.23 1.66 0.00 -1.46 0.00 0.00 42.92 41.01 1jit s ASP 87 CO 0.43 -0.39 2.07 2.30 0.52 0.00 0.00 175.17 180.10 1jit n ILE 88 N 5.30 0.00 -0.17 4.11 -5.35 -1.26 -4.32 119.36 117.68 1jit n ILE 88 Ca -0.07 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.34 1jit n ILE 88 Cb 0.49 -0.44 -0.01 0.00 -1.74 0.00 0.00 39.64 37.95 1jit n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jit h THR 89 N 0.00 0.19 -0.64 7.28 2.02 -1.94 0.52 112.91 120.33 1jit h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1jit h THR 89 Cb 0.00 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 1jit h THR 89 CO 0.00 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.27 1jit h ALA 90 N 0.87 0.85 -0.42 6.16 0.00 -1.87 -0.24 119.26 124.60 1jit h ALA 90 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jit h ALA 90 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1jit h ALA 90 CO -0.62 0.09 0.18 0.77 0.00 0.00 0.00 179.25 179.67 1jit h SER 91 N 0.72 0.57 -0.19 0.00 0.02 -1.60 -2.34 113.55 110.74 1jit h SER 91 Ca 0.27 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jit h SER 91 Cb 0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1jit h SER 91 CO -0.14 0.56 0.10 0.58 -1.14 0.00 0.00 176.83 176.79 1jit h VAL 92 N 0.54 1.11 -0.77 2.27 2.07 -0.44 -0.03 116.25 121.00 1jit h VAL 92 Ca 0.14 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1jit h VAL 92 Cb 0.16 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1jit h VAL 92 CO -0.01 0.10 0.45 0.78 0.02 0.00 0.00 177.57 178.91 1jit h ASN 93 N 0.19 0.93 0.00 0.57 -0.26 -0.99 -1.63 115.58 114.40 1jit h ASN 93 Ca 0.06 -0.06 -0.20 0.00 -0.56 0.00 0.00 56.30 55.55 1jit h ASN 93 Cb 0.08 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 1jit h ASN 93 CO -0.01 0.73 -0.70 0.00 -1.06 0.00 0.00 177.43 176.39 1jit h ALA 95 N 0.77 1.32 -0.51 0.00 0.00 -0.60 -1.40 119.26 118.84 1jit h ALA 95 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1jit h ALA 95 Cb 1.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1jit h ALA 95 CO 0.13 0.53 0.23 0.87 0.00 0.00 0.00 179.25 181.01 1jit h LYS 96 N 0.90 0.72 -0.21 0.00 1.57 -1.20 0.10 116.57 118.46 1jit h LYS 96 Ca 0.22 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1jit h LYS 96 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1jit h LYS 96 CO -0.03 0.57 -0.49 0.87 -0.57 0.00 0.00 179.45 179.81 1jit h LYS 97 N 0.72 0.69 -0.06 3.15 1.57 -1.27 -2.97 116.57 118.40 1jit h LYS 97 Ca 0.18 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1jit h LYS 97 Cb 0.11 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jit h LYS 97 CO -0.02 1.09 0.04 0.82 -0.57 0.00 0.00 179.45 180.81 1jit h ILE 98 N 0.40 1.05 0.00 1.86 2.04 -0.72 -2.62 117.51 119.51 1jit h ILE 98 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1jit h ILE 98 Cb 1.10 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1jit h ILE 98 CO 0.11 0.04 0.00 1.62 0.00 0.00 0.00 178.15 179.92 1jit h VAL 99 N 0.05 0.00 -0.00 1.67 3.04 -1.05 -1.64 116.25 118.32 1jit h VAL 99 Ca 0.02 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1jit h VAL 99 Cb 0.03 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1jit h VAL 99 CO -0.00 0.00 -0.58 -1.20 -1.01 0.00 0.00 177.57 174.78 1jit n SER 100 N -2.60 0.64 -0.26 3.17 7.64 -1.02 -3.83 113.62 117.37 1jit n SER 100 Ca 0.00 -0.44 0.07 0.00 1.01 0.00 0.00 58.87 59.52 1jit n SER 100 Cb 0.20 0.39 0.32 0.00 -1.01 0.00 0.00 64.21 64.11 1jit n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1jit h ASP 101 N 0.09 0.75 0.00 6.43 3.58 -0.95 -3.47 116.42 122.85 1jit h ASP 101 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1jit h ASP 101 Cb 0.50 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1jit h ASP 101 CO 0.00 0.45 0.00 0.61 -2.88 0.00 0.00 179.24 177.42 1jit n GLY 102 N -1.42 2.51 0.91 -0.78 0.00 -1.26 -4.97 105.19 100.18 1jit n GLY 102 Ca 0.14 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1jit n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jit n ASN 103 N 0.00 2.63 0.00 1.61 4.13 -1.26 -5.04 115.26 117.34 1jit n ASN 103 Ca 0.00 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.27 1jit n ASN 103 Cb 0.00 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1jit n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jit n GLY 104 N 1.29 2.63 0.00 7.41 0.00 -1.25 -2.01 105.19 113.25 1jit n GLY 104 Ca 0.17 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1jit n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jit n MET 105 N 11.94 0.45 0.17 1.61 2.81 -1.26 -3.01 117.12 129.83 1jit n MET 105 Ca 0.00 0.05 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1jit n MET 105 Cb 0.00 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 31.62 1jit n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1jit h ASN 106 N 0.00 0.00 0.05 7.83 2.35 -1.83 -1.49 115.58 122.49 1jit h ASN 106 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jit h ASN 106 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1jit h ASN 106 CO 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 177.43 175.76 1jit h ALA 107 N 2.08 1.55 -2.40 -0.83 0.00 -1.70 -3.35 119.26 114.60 1jit h ALA 107 Ca 0.00 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.18 1jit h ALA 107 Cb 0.13 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 1jit h ALA 107 CO 0.00 0.02 -0.31 -1.58 0.00 0.00 0.00 179.25 177.39 1jit s TRP 108 N -4.62 3.21 0.34 0.00 0.51 -0.56 -4.96 118.94 112.86 1jit s TRP 108 Ca -0.05 -0.57 0.35 0.00 -2.12 0.00 0.00 56.10 53.71 1jit s TRP 108 Cb 0.15 -2.85 1.70 0.00 -0.81 0.00 0.00 33.47 31.66 1jit s TRP 108 CO 0.57 -0.69 2.12 -0.39 -0.51 0.00 0.00 176.95 178.04 1jit h VAL 109 N 5.70 0.14 0.00 4.03 -1.51 -1.85 -2.11 116.25 120.66 1jit h VAL 109 Ca -0.27 -0.39 -0.17 0.00 -1.23 0.00 0.00 66.70 64.64 1jit h VAL 109 Cb 1.11 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.58 1jit h VAL 109 CO 0.79 0.03 -0.81 0.00 -1.23 0.00 0.00 177.57 176.36 1jit h ALA 110 N 1.96 0.66 -0.11 5.19 0.00 -1.93 -1.37 119.26 123.67 1jit h ALA 110 Ca -0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 1jit h ALA 110 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jit h ALA 110 CO 0.00 0.98 -0.21 2.35 0.00 0.00 0.00 179.25 182.37 1jit h TRP 111 N 0.02 0.42 -0.89 0.00 7.01 -1.74 0.20 115.95 120.96 1jit h TRP 111 Ca -0.01 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 60.84 1jit h TRP 111 Cb 1.42 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 28.36 1jit h TRP 111 CO 0.00 0.83 0.59 -0.09 -2.79 0.00 0.00 178.44 176.98 1jit h ARG 112 N -0.11 1.18 0.00 2.65 2.43 -1.35 0.41 114.38 119.59 1jit h ARG 112 Ca 0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1jit h ARG 112 Cb 0.80 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1jit h ARG 112 CO 0.05 0.78 -1.07 0.09 -1.51 0.00 0.00 179.97 178.31 1jit n ASN 113 N -4.46 0.85 0.00 -3.80 3.02 -0.52 -4.29 115.26 106.06 1jit n ASN 113 Ca 0.10 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1jit n ASN 113 Cb 0.02 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1jit n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jit n ARG 114 N -2.71 3.89 -0.01 3.52 1.74 0.69 -4.90 116.66 118.88 1jit n ARG 114 Ca -0.02 -0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 1jit n ARG 114 Cb 0.60 -0.40 -0.01 0.00 -1.02 0.00 0.00 32.46 31.63 1jit n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jit n LYS 116 N -2.86 1.44 -0.99 0.00 4.81 0.12 -1.18 118.16 119.50 1jit n LYS 116 Ca -0.03 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1jit n LYS 116 Cb 0.53 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1jit n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jit n GLY 117 N 3.15 0.94 3.99 3.14 0.00 -1.26 -4.94 105.19 110.20 1jit n GLY 117 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1jit n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jit s THR 118 N -3.78 2.47 -1.30 2.61 -4.23 -0.33 -5.00 115.64 106.09 1jit s THR 118 Ca 0.00 -1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 1jit s THR 118 Cb 0.00 -2.57 0.09 0.00 1.34 0.00 0.00 72.50 71.36 1jit s THR 118 CO 0.00 0.00 1.73 -0.67 -0.54 0.00 0.00 174.62 175.14 1jit n ASP 119 N -1.96 4.92 0.25 3.99 2.03 -1.26 -4.76 116.55 119.76 1jit n ASP 119 Ca 0.10 -2.93 0.17 0.00 0.52 0.00 0.00 54.79 52.65 1jit n ASP 119 Cb 0.61 -1.71 0.81 0.00 -0.72 0.00 0.00 41.12 40.11 1jit n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jit h VAL 120 N 5.31 0.00 0.00 5.18 -1.51 -1.90 -2.27 116.25 121.05 1jit h VAL 120 Ca 0.44 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.71 1jit h VAL 120 Cb 0.85 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1jit h VAL 120 CO 1.46 0.00 -0.05 -0.61 -1.23 0.00 0.00 177.57 177.14 1jit h GLN 121 N 0.00 0.00 0.00 5.19 -0.00 -1.88 -1.04 115.11 117.38 1jit h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jit h GLN 121 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.69 1jit h GLN 121 CO 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 178.83 178.86 1jit h ALA 122 N 1.95 1.43 0.00 3.38 0.00 -1.80 -2.18 119.26 122.04 1jit h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jit h ALA 122 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jit h ALA 122 CO 0.01 0.02 0.00 0.91 0.00 0.00 0.00 179.25 180.19 1jit n TRP 123 N -3.73 0.60 -0.01 0.00 7.02 -0.40 -3.09 117.44 117.84 1jit n TRP 123 Ca -0.03 0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1jit n TRP 123 Cb 0.11 -0.85 0.00 0.00 -2.42 0.00 0.00 31.31 28.15 1jit n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jit n ILE 124 N -2.03 0.32 -2.03 -0.99 -5.35 -0.83 -4.81 119.36 103.63 1jit n ILE 124 Ca 0.04 -0.65 -0.41 0.00 -0.27 0.00 0.00 62.75 61.45 1jit n ILE 124 Cb 0.27 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 39.00 1jit n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jit s ARG 125 N -0.32 4.28 0.00 6.28 1.04 -1.12 -2.22 118.95 126.89 1jit s ARG 125 Ca 0.00 2.30 0.00 0.00 -1.04 0.00 0.00 55.73 56.99 1jit s ARG 125 Cb 0.00 -3.03 0.00 0.00 -2.04 0.00 0.00 34.95 29.88 1jit s ARG 125 CO 0.00 -0.29 0.00 0.41 -0.04 0.00 0.00 175.30 175.38 1jit n GLY 126 N 0.71 2.26 3.80 3.88 0.00 -1.26 -5.02 105.19 109.55 1jit n GLY 126 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jit n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jit s ARG 128 N -1.87 3.15 0.00 0.00 3.52 -1.26 -5.12 118.95 117.36 1jit s ARG 128 Ca 0.44 -0.95 0.03 0.00 -0.13 0.00 0.00 55.73 55.13 1jit s ARG 128 Cb -0.18 -4.30 0.03 0.00 -1.56 0.00 0.00 34.95 28.94 1jit s ARG 128 CO 0.23 -1.80 0.61 1.28 -0.81 0.00 0.00 175.30 174.80