#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 5.12 -0.12 0.58 1.01 -1.26 -0.33 120.40 125.40 1ivm s VAL 2 Ca 0.00 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 1ivm s VAL 2 Cb 0.00 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1ivm s VAL 2 CO 0.00 0.25 0.01 -0.31 0.00 0.00 0.00 175.10 175.05 1ivm s TYR 3 N 1.02 0.87 0.41 5.22 1.51 0.53 -4.92 117.35 121.97 1ivm s TYR 3 Ca 0.28 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1ivm s TYR 3 Cb -0.16 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1ivm s TYR 3 CO 0.12 -0.45 0.36 -1.83 -1.11 0.00 0.00 175.55 172.64 1ivm s GLU 4 N 1.91 2.55 0.02 -0.62 -1.05 -1.26 0.22 118.70 120.48 1ivm s GLU 4 Ca 0.03 -1.51 -0.04 0.00 -0.15 0.00 0.00 54.97 53.30 1ivm s GLU 4 Cb -0.14 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.15 1ivm s GLU 4 CO -0.07 -0.16 1.04 2.89 0.95 0.00 0.00 175.26 179.92 1ivm n ARG 5 N -1.52 -0.06 0.00 -4.83 0.00 -1.26 0.15 116.66 109.14 1ivm n ARG 5 Ca 0.03 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.92 1ivm n ARG 5 Cb 0.61 -1.55 0.00 0.00 -0.00 0.00 0.00 32.46 31.52 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n GLU 7 N -1.96 -0.13 -0.32 0.00 1.02 -0.91 0.98 120.64 119.32 1ivm n GLU 7 Ca 0.00 0.90 0.05 0.00 -0.02 0.00 0.00 57.16 58.09 1ivm n GLU 7 Cb 0.00 -1.33 0.14 0.00 -0.02 0.00 0.00 31.44 30.22 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ivm h PHE 8 N 0.00 -0.43 0.55 -0.32 3.04 0.19 0.62 116.94 120.58 1ivm h PHE 8 Ca 0.05 0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1ivm h PHE 8 Cb 0.12 0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 1ivm h PHE 8 CO -0.73 -0.39 -0.30 0.00 -2.02 0.00 0.00 178.31 174.87 1ivm h ALA 9 N 1.91 -0.80 -0.14 2.41 0.00 0.47 0.15 119.26 123.26 1ivm h ALA 9 Ca 0.45 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1ivm h ALA 9 Cb 0.71 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1ivm h ALA 9 CO -0.93 -0.96 -0.42 -0.09 0.00 0.00 0.00 179.25 176.86 1ivm h ARG 10 N -0.79 -0.47 -0.23 0.00 2.43 0.28 0.14 114.38 115.73 1ivm h ARG 10 Ca -0.07 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1ivm h ARG 10 Cb 0.63 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.22 1ivm h ARG 10 CO 0.09 -0.31 -0.27 1.15 -1.51 0.00 0.00 179.97 179.12 1ivm h THR 11 N -0.49 0.34 -0.23 0.20 2.02 0.19 1.32 112.91 116.27 1ivm h THR 11 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 1ivm h THR 11 Cb 0.63 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1ivm h THR 11 CO -0.40 0.00 -0.44 0.25 0.37 0.00 0.00 175.52 175.30 1ivm h LEU 12 N -0.29 -1.40 -2.20 2.58 5.85 0.08 1.69 115.31 121.62 1ivm h LEU 12 Ca 0.13 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1ivm h LEU 12 Cb 0.49 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ivm h LEU 12 CO -0.40 -0.41 -0.06 0.50 -0.34 0.00 0.00 178.44 177.73 1ivm h LYS 13 N -0.45 0.00 0.00 1.25 3.11 0.04 0.55 116.57 121.07 1ivm h LYS 13 Ca 0.09 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.82 1ivm h LYS 13 Cb 0.62 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 1ivm h LYS 13 CO -0.46 0.06 -0.52 -0.09 -2.81 0.00 0.00 179.45 175.63 1ivm h ARG 14 N 0.00 0.00 0.09 1.90 9.65 0.79 -3.31 114.38 123.50 1ivm h ARG 14 Ca -0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1ivm h ARG 14 Cb 0.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1ivm h ARG 14 CO 0.01 0.51 -1.68 -0.97 2.80 0.00 0.00 179.97 180.64 1ivm h ASN 15 N 0.00 0.31 0.00 -3.80 -1.24 0.42 -3.49 115.58 107.77 1ivm h ASN 15 Ca -0.01 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.19 1ivm h ASN 15 Cb 1.40 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.35 1ivm h ASN 15 CO 0.07 1.72 0.00 0.61 -1.29 0.00 0.00 177.43 178.53 1ivm n GLY 16 N 1.79 0.99 0.00 1.57 0.00 0.17 -5.05 105.19 104.67 1ivm n GLY 16 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ivm n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ivm n MET 17 N 0.00 0.96 -1.41 1.61 0.00 -0.75 -4.94 117.12 112.60 1ivm n MET 17 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 57.70 57.21 1ivm n MET 17 Cb 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 33.22 32.13 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ivm n ALA 18 N -2.31 0.42 -0.25 -5.12 0.00 -1.22 0.11 120.51 112.14 1ivm n ALA 18 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ivm n ALA 18 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.83 1.68 2.99 0.00 0.00 -1.22 -4.74 105.19 110.73 1ivm n GLY 19 Ca 0.56 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -1.20 -1.55 -0.49 1.61 9.36 0.31 -4.54 117.16 120.67 1ivm n TYR 20 Ca 0.00 0.43 0.38 0.00 3.32 0.00 0.00 57.90 62.03 1ivm n TYR 20 Cb 0.06 -1.41 0.60 0.00 -0.63 0.00 0.00 39.34 37.96 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -3.74 0.23 0.00 2.98 4.02 -1.26 -3.68 117.16 115.71 1ivm n TYR 21 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1ivm n TYR 21 Cb 0.45 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ivm n GLY 22 N -1.60 -0.03 3.63 2.72 0.00 -1.26 -5.07 105.19 103.58 1ivm n GLY 22 Ca 0.34 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1ivm n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivm s VAL 23 N -1.36 3.51 0.34 1.61 1.01 -1.24 -4.97 120.40 119.29 1ivm s VAL 23 Ca 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1ivm s VAL 23 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1ivm s VAL 23 CO 0.00 -0.22 0.62 -0.44 0.00 0.00 0.00 175.10 175.06 1ivm s SER 24 N 4.89 6.41 0.35 3.32 0.01 -1.26 0.66 113.70 128.08 1ivm s SER 24 Ca 0.78 0.77 0.08 0.00 1.31 0.00 0.00 55.95 58.89 1ivm s SER 24 Cb -0.28 -2.17 0.79 0.00 0.21 0.00 0.00 66.02 64.57 1ivm s SER 24 CO 0.32 -0.30 1.89 0.17 0.41 0.00 0.00 173.24 175.73 1ivm h LEU 25 N 1.27 0.67 0.11 2.44 -0.00 -1.85 0.29 115.31 118.24 1ivm h LEU 25 Ca -0.48 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1ivm h LEU 25 Cb 1.20 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 1ivm h LEU 25 CO 0.64 0.36 -0.22 0.00 -0.00 0.00 0.00 178.44 179.22 1ivm h ALA 26 N 1.59 -0.37 -0.38 0.17 0.00 -1.93 0.31 119.26 118.65 1ivm h ALA 26 Ca 0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ivm h ALA 26 Cb 0.61 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ivm h ALA 26 CO -0.18 -0.75 0.00 -0.44 0.00 0.00 0.00 179.25 177.88 1ivm h ASP 27 N -0.41 0.57 0.18 0.00 3.32 -1.52 1.00 116.42 119.56 1ivm h ASP 27 Ca 0.03 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1ivm h ASP 27 Cb 0.43 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1ivm h ASP 27 CO -0.13 0.64 -0.20 -0.50 -1.72 0.00 0.00 179.24 177.33 1ivm h TRP 28 N 0.58 -0.54 0.46 4.55 -0.00 0.60 1.65 115.95 123.24 1ivm h TRP 28 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.99 1ivm h TRP 28 Cb 0.36 0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.74 1ivm h TRP 28 CO 0.01 -0.30 -0.22 0.28 -0.00 0.00 0.00 178.44 178.21 1ivm h VAL 29 N -0.43 0.55 -0.69 1.49 2.07 -0.07 0.64 116.25 119.80 1ivm h VAL 29 Ca 0.01 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1ivm h VAL 29 Cb 0.41 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 1ivm h VAL 29 CO -0.06 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.75 1ivm h LEU 31 N 0.33 -1.00 -2.03 0.00 5.85 0.29 0.19 115.31 118.94 1ivm h LEU 31 Ca 0.37 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.26 1ivm h LEU 31 Cb 0.58 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1ivm h LEU 31 CO -0.42 -0.70 0.39 0.00 -0.34 0.00 0.00 178.44 177.37 1ivm h ALA 32 N -1.42 2.26 0.22 1.25 0.00 0.11 -0.57 119.26 121.12 1ivm h ALA 32 Ca -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ivm h ALA 32 Cb 0.91 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ivm h ALA 32 CO 0.20 -0.63 -0.11 0.37 0.00 0.00 0.00 179.25 179.08 1ivm h GLN 33 N 0.00 -0.29 -0.27 0.00 5.75 0.30 0.26 115.11 120.86 1ivm h GLN 33 Ca 0.21 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.81 1ivm h GLN 33 Cb 1.00 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1ivm h GLN 33 CO -0.00 0.08 0.28 1.25 -2.65 0.00 0.00 178.83 177.79 1ivm h HIS 34 N -0.78 0.00 0.00 3.99 2.76 0.86 -2.77 115.15 119.21 1ivm h HIS 34 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1ivm h HIS 34 CO 0.05 0.00 -0.02 0.93 -1.30 0.00 0.00 177.93 177.60 1ivm h GLU 35 N 0.00 0.00 0.00 5.26 4.39 -1.08 -3.50 114.58 119.65 1ivm h GLU 35 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1ivm h GLU 35 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1ivm h GLU 35 CO -0.00 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.30 1ivm n SER 36 N -3.50 -0.82 -0.37 1.42 2.88 0.80 -4.87 113.62 109.16 1ivm n SER 36 Ca -0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ivm n SER 36 Cb 0.01 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.49 -3.76 0.00 -3.46 5.15 -0.45 -4.68 115.26 105.58 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ivm n TYR 38 N -0.75 0.00 -4.05 1.20 4.01 0.61 -4.48 117.16 113.71 1ivm n TYR 38 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1ivm n TYR 38 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1ivm n TYR 38 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ivm s ASN 39 N 0.00 0.95 -0.55 7.72 2.20 -1.26 0.20 114.94 124.20 1ivm s ASN 39 Ca 0.00 -0.10 -0.04 0.00 -0.94 0.00 0.00 52.86 51.78 1ivm s ASN 39 Cb 0.00 -0.40 -0.07 0.00 -2.00 0.00 0.00 41.25 38.78 1ivm s ASN 39 CO 0.00 -0.09 1.97 0.35 -2.94 0.00 0.00 177.10 176.39 1ivm n THR 40 N 4.25 1.90 0.33 0.54 -2.24 0.55 -3.89 114.28 115.73 1ivm n THR 40 Ca -0.22 -1.09 0.06 0.00 -2.27 0.00 0.00 64.05 60.53 1ivm n THR 40 Cb 0.51 -1.95 0.09 0.00 -2.10 0.00 0.00 70.33 66.87 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N 3.85 1.34 -1.54 -0.78 0.63 -1.26 -4.85 116.66 114.05 1ivm n ARG 41 Ca 0.33 -1.50 -0.34 0.00 -0.92 0.00 0.00 57.85 55.42 1ivm n ARG 41 Cb 0.21 -1.26 -0.07 0.00 0.45 0.00 0.00 32.46 31.79 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 42 N 0.70 0.63 -3.68 5.13 0.00 -1.25 -4.85 120.51 117.18 1ivm n ALA 42 Ca 0.09 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 1ivm n ALA 42 Cb 0.35 -2.96 -0.12 0.00 0.00 0.00 0.00 19.45 16.72 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 11.24 -0.31 -0.29 0.00 -4.23 -1.25 0.75 115.64 121.55 1ivm s THR 43 Ca 1.08 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.80 1ivm s THR 43 Cb -0.46 -0.50 0.15 0.00 1.34 0.00 0.00 72.50 73.03 1ivm s THR 43 CO 0.31 0.08 0.37 0.21 -0.54 0.00 0.00 174.62 175.05 1ivm s ASN 44 N 2.02 0.80 0.35 3.99 3.84 0.41 -4.95 114.94 121.39 1ivm s ASN 44 Ca -0.04 -0.48 -0.08 0.00 0.21 0.00 0.00 52.86 52.47 1ivm s ASN 44 Cb -0.11 0.91 -0.06 0.00 -0.55 0.00 0.00 41.25 41.44 1ivm s ASN 44 CO -0.10 -0.36 0.67 -0.72 -2.79 0.00 0.00 177.10 173.80 1ivm s TYR 45 N 2.49 3.46 -0.30 0.43 -0.85 -1.26 0.22 117.35 121.54 1ivm s TYR 45 Ca 0.10 0.89 0.01 0.00 -0.52 0.00 0.00 57.07 57.54 1ivm s TYR 45 Cb -0.13 -2.30 0.19 0.00 0.38 0.00 0.00 41.96 40.10 1ivm s TYR 45 CO -0.30 0.03 0.64 -0.80 -1.52 0.00 0.00 175.55 173.60 1ivm s ASN 46 N -3.07 -1.41 0.17 -0.18 -0.87 0.50 -4.91 114.94 105.17 1ivm s ASN 46 Ca 0.48 0.50 0.06 0.00 -1.57 0.00 0.00 52.86 52.34 1ivm s ASN 46 Cb -0.10 2.03 -0.00 0.00 -0.02 0.00 0.00 41.25 43.15 1ivm s ASN 46 CO 0.29 -0.26 1.39 -0.09 -2.57 0.00 0.00 177.10 175.87 1ivm h ARG 47 N 7.97 0.06 -0.89 -0.60 2.43 -1.95 0.29 114.38 121.70 1ivm h ARG 47 Ca -0.12 -0.07 0.29 0.00 -0.81 0.00 0.00 59.98 59.27 1ivm h ARG 47 Cb 1.17 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.58 1ivm h ARG 47 CO 0.18 0.89 0.19 0.41 -1.51 0.00 0.00 179.97 180.13 1ivm n GLY 48 N 0.93 -1.01 0.75 2.80 0.00 -1.26 0.14 105.19 107.54 1ivm n GLY 48 Ca -0.02 0.82 0.04 0.00 0.00 0.00 0.00 46.02 46.87 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -5.20 1.82 -4.02 1.61 -0.08 -1.24 -4.96 116.55 104.48 1ivm n ASP 49 Ca 0.26 -3.74 -0.28 0.00 -1.51 0.00 0.00 54.79 49.51 1ivm n ASP 49 Cb 0.86 -0.50 -0.08 0.00 2.34 0.00 0.00 41.12 43.74 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N -0.97 -0.90 -4.09 -0.67 -0.06 0.37 -4.89 117.38 106.18 1ivm n GLN 50 Ca 0.19 0.09 -0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1ivm n GLN 50 Cb 0.74 -3.23 -0.11 0.00 -4.06 0.00 0.00 30.24 23.58 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -3.83 1.01 -0.05 1.69 1.04 0.10 -4.55 113.70 109.11 1ivm s SER 51 Ca 0.18 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1ivm s SER 51 Cb -0.11 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1ivm s SER 51 CO 0.84 -0.20 0.12 -0.89 0.98 0.00 0.00 173.24 174.09 1ivm s THR 52 N -1.49 -0.04 -0.52 2.02 2.01 -1.26 -0.37 115.64 115.98 1ivm s THR 52 Ca -0.07 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 1ivm s THR 52 Cb -0.09 -0.20 0.13 0.00 0.01 0.00 0.00 72.50 72.35 1ivm s THR 52 CO 0.00 0.06 0.44 -1.81 -0.69 0.00 0.00 174.62 172.63 1ivm s ASP 53 N 0.89 5.98 0.18 3.53 1.01 0.58 0.24 116.67 129.08 1ivm s ASP 53 Ca -0.07 -1.91 0.07 0.00 0.71 0.00 0.00 52.55 51.35 1ivm s ASP 53 Cb -0.09 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1ivm s ASP 53 CO -0.04 -0.76 -0.14 -0.31 0.21 0.00 0.00 175.17 174.13 1ivm s TYR 54 N 1.39 1.57 0.00 4.23 1.51 0.11 0.15 117.35 126.32 1ivm s TYR 54 Ca 0.05 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1ivm s TYR 54 Cb -0.27 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1ivm s TYR 54 CO 0.01 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.12 1ivm n GLY 55 N -0.15 2.28 0.42 0.71 0.00 0.23 0.98 105.19 109.65 1ivm n GLY 55 Ca -0.10 -1.71 0.23 0.00 0.00 0.00 0.00 46.02 44.44 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.63 -0.35 -0.61 2.10 -1.79 1.35 117.51 118.84 1ivm h ILE 56 Ca 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.85 1ivm h ILE 56 Cb 0.00 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 36.08 1ivm h ILE 56 CO 0.00 0.05 0.01 0.49 -1.08 0.00 0.00 178.15 177.62 1ivm n PHE 57 N -4.43 1.25 -3.85 2.19 3.72 -1.26 -3.33 117.46 111.74 1ivm n PHE 57 Ca 0.19 -0.45 -0.31 0.00 -0.05 0.00 0.00 57.45 56.83 1ivm n PHE 57 Cb 0.79 -0.35 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N 0.34 -1.09 -3.25 -1.08 -0.06 0.46 -4.89 117.38 107.82 1ivm n GLN 58 Ca 0.17 0.49 -0.39 0.00 -2.00 0.00 0.00 57.00 55.28 1ivm n GLN 58 Cb 0.82 -2.15 -0.06 0.00 -4.06 0.00 0.00 30.24 24.79 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ivm s ILE 59 N -3.14 4.85 0.04 1.69 1.01 0.27 -4.72 121.20 121.20 1ivm s ILE 59 Ca 0.15 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 1ivm s ILE 59 Cb -0.08 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1ivm s ILE 59 CO 0.88 0.48 0.93 0.54 0.00 0.00 0.00 174.94 177.77 1ivm s ASN 60 N -0.58 7.38 -0.06 3.58 4.22 -1.25 0.09 114.94 128.31 1ivm s ASN 60 Ca 0.30 1.65 0.10 0.00 -2.14 0.00 0.00 52.86 52.77 1ivm s ASN 60 Cb -0.19 -2.55 0.39 0.00 1.28 0.00 0.00 41.25 40.18 1ivm s ASN 60 CO 0.18 -0.14 1.22 -0.24 -2.04 0.00 0.00 177.10 176.07 1ivm n SER 61 N 3.34 2.76 0.11 3.54 2.88 0.65 -2.44 113.62 124.46 1ivm n SER 61 Ca 0.03 -2.24 0.12 0.00 -1.33 0.00 0.00 58.87 55.45 1ivm n SER 61 Cb 0.50 -0.42 0.04 0.00 -0.75 0.00 0.00 64.21 63.58 1ivm n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1ivm h ARG 62 N 2.18 0.00 0.00 -1.46 2.43 -1.80 -3.43 114.38 112.30 1ivm h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ivm h ARG 62 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1ivm h ARG 62 CO 0.13 0.00 -0.27 0.66 -1.51 0.00 0.00 179.97 178.97 1ivm n TYR 63 N -2.65 0.00 -3.30 2.20 4.02 -1.24 -3.07 117.16 113.11 1ivm n TYR 63 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1ivm n TYR 63 Cb 0.53 0.29 -0.01 0.00 -0.02 0.00 0.00 39.34 40.13 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1ivm s TRP 64 N -1.85 3.51 0.23 -0.72 0.51 -1.02 0.12 118.94 119.71 1ivm s TRP 64 Ca 0.00 0.41 0.00 0.00 -2.12 0.00 0.00 56.10 54.39 1ivm s TRP 64 Cb 0.00 -1.95 0.00 0.00 -0.81 0.00 0.00 33.47 30.71 1ivm s TRP 64 CO 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 176.95 176.53 1ivm n ASN 66 N -4.34 0.00 0.00 0.00 5.15 0.94 -3.66 115.26 113.36 1ivm n ASN 66 Ca -0.00 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 1ivm n ASN 66 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ivm n ASP 67 N -1.74 0.02 0.00 1.20 2.03 -1.26 -1.60 116.55 115.20 1ivm n ASP 67 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1ivm n ASP 67 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ivm n GLY 68 N 2.32 0.80 2.21 0.27 0.00 -1.26 -4.92 105.19 104.62 1ivm n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N 0.00 0.97 -3.60 1.61 5.02 -1.26 -4.99 118.16 115.91 1ivm n LYS 69 Ca 0.00 -2.42 -0.28 0.00 -2.02 0.00 0.00 58.31 53.59 1ivm n LYS 69 Cb 0.00 -0.58 -0.11 0.00 -0.02 0.00 0.00 35.03 34.32 1ivm n LYS 69 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ivm s THR 70 N -1.64 1.20 -0.45 -0.18 -1.32 -1.26 -5.00 115.64 107.00 1ivm s THR 70 Ca 0.23 -2.95 -0.06 0.00 -1.21 0.00 0.00 61.69 57.70 1ivm s THR 70 Cb 0.33 -1.82 -0.15 0.00 -1.51 0.00 0.00 72.50 69.34 1ivm s THR 70 CO -0.09 -1.08 2.72 -0.81 -2.21 0.00 0.00 174.62 173.16 1ivm n PRO 71 N 2.89 1.98 0.00 7.08 -0.04 -1.26 -3.05 135.00 142.61 1ivm n PRO 71 Ca 0.21 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1ivm n PRO 71 Cb 0.41 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1ivm n PRO 71 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ivm n ARG 72 N 3.10 0.00 -0.81 0.54 0.63 -1.26 -5.12 116.66 113.74 1ivm n ARG 72 Ca 0.42 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.02 1ivm n ARG 72 Cb 0.50 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.53 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 73 N -2.52 -3.05 -2.48 5.13 0.00 -1.17 -4.93 120.51 111.49 1ivm n ALA 73 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 1ivm n ALA 73 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -3.55 2.32 -1.28 0.00 3.14 -1.17 -5.00 118.33 112.80 1ivm n VAL 74 Ca 0.05 -4.86 -0.37 0.00 -2.96 0.00 0.00 64.34 56.20 1ivm n VAL 74 Cb 0.55 -1.20 -0.13 0.00 -1.06 0.00 0.00 33.84 32.00 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N -0.47 0.30 0.19 6.55 6.94 -0.41 -4.46 115.26 123.91 1ivm n ASN 75 Ca 0.38 0.21 0.12 0.00 -0.02 0.00 0.00 54.58 55.26 1ivm n ASN 75 Cb 0.67 -0.80 0.14 0.00 -2.36 0.00 0.00 39.78 37.44 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm h ALA 76 N 10.13 0.90 0.04 -2.53 0.00 -0.55 -3.20 119.26 124.05 1ivm h ALA 76 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1ivm h ALA 76 Cb 1.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1ivm h ALA 76 CO 1.18 0.00 -1.70 0.00 0.00 0.00 0.00 179.25 178.73 1ivm n GLY 78 N 1.64 -0.20 3.29 0.00 0.00 -1.21 -4.91 105.19 103.80 1ivm n GLY 78 Ca -0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.27 0.02 0.07 -0.61 -0.00 -1.26 -4.97 121.20 111.19 1ivm s ILE 79 Ca 0.03 -0.20 -0.31 0.00 -0.00 0.00 0.00 60.65 60.17 1ivm s ILE 79 Cb -0.00 -0.62 -0.08 0.00 -0.00 0.00 0.00 42.46 41.75 1ivm s ILE 79 CO 0.54 -0.11 1.68 0.20 -0.00 0.00 0.00 174.94 177.25 1ivm s ASN 80 N -0.56 6.58 0.59 4.36 -0.87 -1.26 -0.04 114.94 123.74 1ivm s ASN 80 Ca -0.07 2.52 0.29 0.00 -1.57 0.00 0.00 52.86 54.03 1ivm s ASN 80 Cb -0.04 -2.56 1.45 0.00 -0.02 0.00 0.00 41.25 40.08 1ivm s ASN 80 CO 0.03 -0.91 1.86 0.00 -2.57 0.00 0.00 177.10 175.51 1ivm h SER 82 N 0.00 0.35 0.26 0.00 0.87 -1.88 0.30 113.55 113.46 1ivm h SER 82 Ca 0.23 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ivm h SER 82 Cb 1.28 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1ivm h SER 82 CO -0.00 0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 1ivm n ALA 83 N -2.49 1.29 0.66 6.23 0.00 0.33 0.32 120.51 126.84 1ivm n ALA 83 Ca 0.02 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1ivm n ALA 83 Cb 0.09 -1.25 0.15 0.00 0.00 0.00 0.00 19.45 18.44 1ivm n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ivm n LEU 84 N -1.96 3.21 -0.51 0.00 4.77 0.10 -3.99 117.00 118.62 1ivm n LEU 84 Ca 0.01 -1.24 0.09 0.00 -0.03 0.00 0.00 56.01 54.83 1ivm n LEU 84 Cb 0.10 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 1ivm n LEU 84 CO 0.11 0.62 0.64 -0.11 -1.33 0.00 0.00 177.39 177.31 1ivm n LEU 85 N 1.40 3.16 0.00 2.23 7.94 0.15 -4.42 117.00 127.46 1ivm n LEU 85 Ca 0.16 -3.08 0.00 0.00 -1.11 0.00 0.00 56.01 51.98 1ivm n LEU 85 Cb 0.60 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1ivm n LEU 85 CO 0.15 0.71 0.00 0.00 -1.11 0.00 0.00 177.39 177.14 1ivm n GLN 86 N -0.97 1.91 -0.09 1.96 6.02 -1.18 -5.03 117.38 119.99 1ivm n GLN 86 Ca 0.19 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.00 1ivm n GLN 86 Cb 0.78 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.92 1ivm n GLN 86 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1ivm h ASP 87 N 0.00 0.00 -2.89 1.08 3.58 -1.95 -3.44 116.42 112.81 1ivm h ASP 87 Ca 0.00 -0.59 -0.56 0.00 0.42 0.00 0.00 57.03 56.29 1ivm h ASP 87 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1ivm h ASP 87 CO 0.00 1.31 0.97 -1.81 -2.88 0.00 0.00 179.24 176.83 1ivm s ASP 88 N -6.61 6.78 0.00 2.28 1.01 -1.26 -4.59 116.67 114.27 1ivm s ASP 88 Ca -0.25 1.67 0.23 0.00 0.71 0.00 0.00 52.55 54.91 1ivm s ASP 88 Cb 0.03 -2.54 1.26 0.00 1.01 0.00 0.00 42.92 42.69 1ivm s ASP 88 CO 0.58 -0.91 1.83 2.30 0.21 0.00 0.00 175.17 179.18 1ivm n ILE 89 N 5.68 0.03 -0.33 0.77 -5.35 -1.26 -4.01 119.36 114.89 1ivm n ILE 89 Ca 0.15 -0.07 0.25 0.00 -0.27 0.00 0.00 62.75 62.81 1ivm n ILE 89 Cb 0.45 -0.19 0.48 0.00 -1.74 0.00 0.00 39.64 38.64 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 0.51 0.20 -0.16 7.28 1.03 -1.93 1.73 112.91 121.57 1ivm h THR 90 Ca 0.00 -0.07 -0.20 0.00 -0.01 0.00 0.00 66.41 66.13 1ivm h THR 90 Cb 0.11 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.17 1ivm h THR 90 CO 0.00 0.04 -0.69 0.00 -0.01 0.00 0.00 175.52 174.86 1ivm h ALA 91 N 1.89 0.48 -0.81 0.00 0.00 -1.84 0.15 119.26 119.14 1ivm h ALA 91 Ca 0.75 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ivm h ALA 91 Cb 1.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1ivm h ALA 91 CO -0.67 0.71 0.38 0.00 0.00 0.00 0.00 179.25 179.67 1ivm h ALA 92 N 0.76 1.16 0.06 0.00 0.00 0.20 0.69 119.26 122.12 1ivm h ALA 92 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ivm h ALA 92 Cb 1.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ivm h ALA 92 CO 0.13 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.82 1ivm h ILE 93 N 1.15 1.28 -0.76 0.00 2.04 0.18 0.56 117.51 121.95 1ivm h ILE 93 Ca 0.28 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.76 1ivm h ILE 93 Cb 0.12 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1ivm h ILE 93 CO -0.03 0.35 0.43 -0.61 0.00 0.00 0.00 178.15 178.28 1ivm h GLN 94 N -0.76 0.72 -0.12 2.37 4.15 -0.55 0.37 115.11 121.29 1ivm h GLN 94 Ca -0.01 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1ivm h GLN 94 Cb 0.63 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.16 1ivm h GLN 94 CO 0.01 0.48 -0.49 0.00 -1.93 0.00 0.00 178.83 176.90 1ivm h ALA 96 N 0.50 1.58 0.07 0.00 0.00 0.11 0.97 119.26 122.48 1ivm h ALA 96 Ca -0.03 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1ivm h ALA 96 Cb 1.12 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ivm h ALA 96 CO 0.10 0.12 -0.72 1.57 0.00 0.00 0.00 179.25 180.32 1ivm h LYS 97 N 0.90 0.36 -0.04 0.00 2.10 -0.20 0.23 116.57 119.93 1ivm h LYS 97 Ca 0.53 -0.48 0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1ivm h LYS 97 Cb 0.66 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ivm h LYS 97 CO -0.31 1.18 0.04 -0.09 -2.00 0.00 0.00 179.45 178.26 1ivm h ARG 98 N -0.22 0.00 0.00 0.07 9.65 0.79 0.51 114.38 125.18 1ivm h ARG 98 Ca -0.11 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 1ivm h ARG 98 Cb 1.49 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.05 1ivm h ARG 98 CO 0.14 0.00 -0.80 0.28 2.80 0.00 0.00 179.97 182.39 1ivm h VAL 99 N 0.00 0.35 -0.65 0.20 2.07 0.93 -3.36 116.25 115.80 1ivm h VAL 99 Ca 0.02 -1.46 0.19 0.00 0.82 0.00 0.00 66.70 66.27 1ivm h VAL 99 Cb 0.09 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1ivm h VAL 99 CO -0.00 0.12 0.52 0.58 0.02 0.00 0.00 177.57 178.81 1ivm h VAL 100 N -1.00 0.52 -0.51 2.57 2.07 -0.34 0.13 116.25 119.70 1ivm h VAL 100 Ca -0.14 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.53 1ivm h VAL 100 Cb 0.81 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ivm h VAL 100 CO -0.08 0.00 0.85 -0.09 0.02 0.00 0.00 177.57 178.26 1ivm h ARG 101 N 0.00 0.00 -7.30 1.57 2.43 -0.12 -3.37 114.38 107.59 1ivm h ARG 101 Ca 0.31 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 59.07 1ivm h ARG 101 Cb 1.35 0.00 0.19 0.00 -0.42 0.00 0.00 29.97 31.10 1ivm h ARG 101 CO -0.00 0.00 0.08 -0.51 -1.51 0.00 0.00 179.97 178.03 1ivm s ASP 102 N -3.96 0.67 0.31 -3.80 1.11 0.44 -4.94 116.67 106.50 1ivm s ASP 102 Ca -0.03 0.78 0.15 0.00 0.18 0.00 0.00 52.55 53.64 1ivm s ASP 102 Cb 0.11 -1.12 0.39 0.00 1.07 0.00 0.00 42.92 43.36 1ivm s ASP 102 CO 0.36 -4.29 1.60 1.55 1.18 0.00 0.00 175.17 175.57 1ivm h PRO 103 N -2.69 0.00 0.00 8.23 0.13 -1.88 -3.35 132.00 132.43 1ivm h PRO 103 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ivm h PRO 103 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ivm h PRO 103 CO 0.36 0.51 -0.26 1.96 -0.23 0.00 0.00 178.00 180.34 1ivm h GLN 104 N 0.00 0.00 0.00 0.86 1.08 -1.92 -3.47 115.11 111.66 1ivm h GLN 104 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ivm h GLN 104 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1ivm h GLN 104 CO 0.07 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.36 1ivm n GLY 105 N 1.70 2.45 0.32 3.46 0.00 -1.26 0.30 105.19 112.17 1ivm n GLY 105 Ca -0.04 0.37 0.21 0.00 0.00 0.00 0.00 46.02 46.55 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N 0.00 0.22 -1.28 -0.61 1.08 -1.92 1.63 117.51 116.63 1ivm h ILE 106 Ca 0.00 -0.07 0.37 0.00 -0.39 0.00 0.00 64.86 64.77 1ivm h ILE 106 Cb 0.00 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 33.69 1ivm h ILE 106 CO 0.00 0.04 0.89 -0.09 -0.69 0.00 0.00 178.15 178.30 1ivm h ARG 107 N 0.19 0.09 -0.77 2.37 2.43 -0.50 1.28 114.38 119.47 1ivm h ARG 107 Ca 0.68 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 60.00 1ivm h ARG 107 Cb 1.53 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.01 1ivm h ARG 107 CO -0.69 0.06 0.52 0.00 -1.51 0.00 0.00 179.97 178.35 1ivm h ALA 108 N 1.42 2.16 -1.35 2.80 0.00 0.23 -1.70 119.26 122.82 1ivm h ALA 108 Ca 0.65 0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.76 1ivm h ALA 108 Cb 2.35 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 19.83 1ivm h ALA 108 CO -0.12 -0.37 1.13 0.91 0.00 0.00 0.00 179.25 180.80 1ivm n TRP 109 N -4.47 2.62 -0.46 0.00 8.01 0.44 -4.79 117.44 118.79 1ivm n TRP 109 Ca 0.15 -2.59 0.39 0.00 -1.31 0.00 0.00 57.50 54.14 1ivm n TRP 109 Cb 0.57 -1.29 0.66 0.00 -2.01 0.00 0.00 31.31 29.23 1ivm n TRP 109 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 1ivm n VAL 110 N 0.53 -0.24 -0.37 -0.99 3.14 -0.64 0.81 118.33 120.57 1ivm n VAL 110 Ca 0.43 1.74 0.02 0.00 -2.96 0.00 0.00 64.34 63.57 1ivm n VAL 110 Cb 0.28 -2.85 0.08 0.00 -1.06 0.00 0.00 33.84 30.29 1ivm n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ivm n ALA 111 N -2.54 0.03 -0.03 1.55 0.00 -1.26 0.68 120.51 118.95 1ivm n ALA 111 Ca 0.39 1.01 -0.15 0.00 0.00 0.00 0.00 53.44 54.70 1ivm n ALA 111 Cb 1.53 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 20.36 1ivm n ALA 111 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ivm h TRP 112 N 0.00 -1.61 0.00 0.00 2.91 0.06 1.80 115.95 119.11 1ivm h TRP 112 Ca 0.39 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.48 1ivm h TRP 112 Cb 0.64 0.72 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 1ivm h TRP 112 CO -0.81 -0.54 0.38 -0.09 -1.03 0.00 0.00 178.44 176.35 1ivm h ARG 113 N -0.55 0.00 -0.28 2.65 2.43 0.15 1.05 114.38 119.82 1ivm h ARG 113 Ca 0.04 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.98 1ivm h ARG 113 Cb 0.67 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.95 1ivm h ARG 113 CO -0.46 0.00 -0.80 0.00 -1.51 0.00 0.00 179.97 177.20 1ivm n ALA 114 N -1.73 3.61 0.11 2.80 0.00 0.45 -4.42 120.51 121.33 1ivm n ALA 114 Ca -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.27 1ivm n ALA 114 Cb 0.41 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.59 -2.73 -0.09 0.00 -0.00 0.50 -4.89 115.22 107.43 1ivm n HIS 115 Ca 0.21 0.63 -0.16 0.00 0.46 0.00 0.00 57.72 58.86 1ivm n HIS 115 Cb 0.88 1.64 -0.09 0.00 -0.12 0.00 0.00 29.99 32.29 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.52 1.51 0.01 0.00 6.02 -0.77 -2.59 117.38 117.04 1ivm n GLN 117 Ca -0.22 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.70 1ivm n GLN 117 Cb 0.53 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ivm n ASN 118 N 3.94 -0.12 -1.76 1.08 5.15 -1.26 -4.70 115.26 117.58 1ivm n ASN 118 Ca 0.32 0.04 -0.01 0.00 -0.60 0.00 0.00 54.58 54.33 1ivm n ASN 118 Cb 0.19 0.34 -0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1ivm n ASN 118 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ivm n ARG 119 N -2.56 1.23 -3.02 1.20 0.63 -1.07 -5.09 116.66 107.98 1ivm n ARG 119 Ca 0.00 -0.18 -0.43 0.00 -0.92 0.00 0.00 57.85 56.31 1ivm n ARG 119 Cb 0.00 0.08 -0.05 0.00 0.45 0.00 0.00 32.46 32.94 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N -1.13 6.24 -0.04 6.15 2.15 -1.26 -4.86 116.67 123.92 1ivm s ASP 120 Ca 0.01 -0.83 0.09 0.00 0.43 0.00 0.00 52.55 52.25 1ivm s ASP 120 Cb 0.00 -2.35 0.33 0.00 -0.30 0.00 0.00 42.92 40.60 1ivm s ASP 120 CO 0.01 -1.09 1.20 -0.11 -0.17 0.00 0.00 175.17 175.00 1ivm n LEU 121 N 6.77 2.33 0.15 -1.34 -0.00 -1.26 -3.69 117.00 119.95 1ivm n LEU 121 Ca -0.04 -1.17 0.13 0.00 -0.00 0.00 0.00 56.01 54.92 1ivm n LEU 121 Cb 0.46 -0.36 0.34 0.00 -0.00 0.00 0.00 43.42 43.86 1ivm n LEU 121 CO 0.59 0.45 0.87 -1.28 -0.00 0.00 0.00 177.39 178.01 1ivm h SER 122 N 1.98 0.00 1.18 1.96 0.87 -1.95 -2.95 113.55 114.64 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ivm h SER 122 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1ivm h SER 122 CO 0.08 0.00 0.00 1.67 -0.53 0.00 0.00 176.83 178.05 1ivm n GLN 123 N -2.54 0.14 0.12 2.24 7.27 -1.24 -0.66 117.38 122.71 1ivm n GLN 123 Ca 0.05 0.15 -0.22 0.00 0.07 0.00 0.00 57.00 57.05 1ivm n GLN 123 Cb 0.45 -1.67 -0.15 0.00 2.41 0.00 0.00 30.24 31.27 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.79 0.13 3.69 3.20 -1.80 -3.36 116.97 119.62 1ivm h TYR 124 Ca 0.00 -0.58 -0.35 0.00 3.14 0.00 0.00 58.73 60.94 1ivm h TYR 124 Cb 0.59 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1ivm h TYR 124 CO 0.00 1.52 -1.88 -0.84 -1.64 0.00 0.00 178.16 175.32 1ivm h ILE 125 N 0.12 0.75 -1.68 1.81 3.07 -1.66 -3.45 117.51 116.47 1ivm h ILE 125 Ca -0.25 -2.45 -0.46 0.00 1.55 0.00 0.00 64.86 63.25 1ivm h ILE 125 Cb 2.11 2.58 -0.01 0.00 -0.27 0.00 0.00 36.82 41.23 1ivm h ILE 125 CO 0.23 0.85 1.49 -0.60 -1.05 0.00 0.00 178.15 179.07 1ivm s ARG 126 N -2.57 2.25 0.00 0.16 6.06 0.17 -2.41 118.95 122.60 1ivm s ARG 126 Ca -0.18 1.10 0.00 0.00 -2.50 0.00 0.00 55.73 54.15 1ivm s ARG 126 Cb 0.06 -4.54 0.00 0.00 0.06 0.00 0.00 34.95 30.54 1ivm s ARG 126 CO 0.80 -3.15 0.00 0.09 -2.50 0.00 0.00 175.30 170.54 1ivm n ASN 127 N 15.01 0.00 0.20 -2.12 4.13 -1.26 -4.80 115.26 126.42 1ivm n ASN 127 Ca 0.32 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.66 1ivm n ASN 127 Cb 0.54 0.00 0.34 0.00 -1.54 0.00 0.00 39.78 39.12 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ivm n GLY 129 N 0.41 1.88 0.46 0.00 0.00 -1.26 -5.15 105.19 101.53 1ivm n GLY 129 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1ivm n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87