#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 3.35 -0.48 -0.18 1.01 -1.26 -0.20 120.40 122.65 1ivm s VAL 2 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.24 1ivm s VAL 2 Cb 0.00 -3.09 0.12 0.00 0.00 0.00 0.00 36.38 33.40 1ivm s VAL 2 CO 0.00 -0.40 0.36 -0.31 0.00 0.00 0.00 175.10 174.75 1ivm s TYR 3 N 1.24 3.39 0.22 5.22 1.51 0.73 -4.91 117.35 124.74 1ivm s TYR 3 Ca 0.02 -1.73 -0.04 0.00 -1.01 0.00 0.00 57.07 54.30 1ivm s TYR 3 Cb -0.21 -3.49 -0.05 0.00 -0.11 0.00 0.00 41.96 38.10 1ivm s TYR 3 CO -0.02 -0.98 0.46 -1.83 -1.11 0.00 0.00 175.55 172.07 1ivm s GLU 4 N 1.41 3.62 0.14 -0.62 -1.05 -1.26 0.27 118.70 121.22 1ivm s GLU 4 Ca 0.05 -0.07 -0.31 0.00 -0.15 0.00 0.00 54.97 54.49 1ivm s GLU 4 Cb -0.26 -2.75 -0.07 0.00 -0.44 0.00 0.00 34.13 30.61 1ivm s GLU 4 CO 0.00 0.35 1.56 0.07 0.95 0.00 0.00 175.26 178.19 1ivm h ARG 5 N 2.22 -0.36 0.00 -4.83 0.11 -1.96 0.27 114.38 109.83 1ivm h ARG 5 Ca -0.47 0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1ivm h ARG 5 Cb 1.18 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ivm h ARG 5 CO 0.69 -0.24 0.00 0.00 0.10 0.00 0.00 179.97 180.52 1ivm n GLU 7 N -1.00 -0.12 -0.22 0.00 1.02 -1.11 0.99 120.64 120.20 1ivm n GLU 7 Ca 0.00 0.80 -0.03 0.00 -0.02 0.00 0.00 57.16 57.91 1ivm n GLU 7 Cb 0.00 -1.18 0.04 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.72 -0.02 -0.32 3.04 -0.18 0.31 116.94 119.05 1ivm h PHE 8 Ca 0.04 0.07 0.03 0.00 3.98 0.00 0.00 57.97 62.09 1ivm h PHE 8 Cb 0.11 0.41 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1ivm h PHE 8 CO -0.64 -0.35 -0.17 0.00 -2.02 0.00 0.00 178.31 175.13 1ivm h ALA 9 N 1.28 -0.18 0.07 2.41 0.00 0.85 0.14 119.26 123.83 1ivm h ALA 9 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ivm h ALA 9 Cb 0.54 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ivm h ALA 9 CO -0.71 -0.65 -0.30 -0.09 0.00 0.00 0.00 179.25 177.50 1ivm h ARG 10 N -0.26 -0.41 -0.60 0.00 9.65 0.26 0.13 114.38 123.14 1ivm h ARG 10 Ca 0.06 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.08 1ivm h ARG 10 Cb 0.34 0.09 -0.12 0.00 -1.39 0.00 0.00 29.97 28.90 1ivm h ARG 10 CO -0.17 -0.28 -0.29 1.15 2.80 0.00 0.00 179.97 183.18 1ivm h THR 11 N -0.43 0.22 -0.16 0.20 2.02 -0.34 0.96 112.91 115.38 1ivm h THR 11 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ivm h THR 11 Cb 0.43 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1ivm h THR 11 CO -0.16 0.00 -0.53 0.25 0.37 0.00 0.00 175.52 175.45 1ivm h LEU 12 N -0.12 -1.70 -2.47 2.58 5.85 -0.21 2.54 115.31 121.78 1ivm h LEU 12 Ca 0.26 0.20 0.01 0.00 0.84 0.00 0.00 57.88 59.19 1ivm h LEU 12 Cb 0.54 0.66 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ivm h LEU 12 CO -0.68 -0.46 0.04 0.50 -0.34 0.00 0.00 178.44 177.50 1ivm h LYS 13 N -0.55 0.00 0.00 1.25 3.11 0.68 0.55 116.57 121.61 1ivm h LYS 13 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1ivm h LYS 13 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1ivm h LYS 13 CO -0.44 0.00 -0.41 -0.09 -2.81 0.00 0.00 179.45 175.70 1ivm h ARG 14 N 0.00 0.00 0.12 1.90 2.43 0.69 -3.32 114.38 116.19 1ivm h ARG 14 Ca 0.01 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.85 1ivm h ARG 14 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ivm h ARG 14 CO -0.00 0.00 -1.77 -0.97 -1.51 0.00 0.00 179.97 175.72 1ivm h ASN 15 N 0.00 0.38 0.00 -3.80 -1.24 0.83 -3.49 115.58 108.26 1ivm h ASN 15 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.13 1ivm h ASN 15 Cb 1.00 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.92 1ivm h ASN 15 CO 0.00 1.77 0.00 0.61 -1.29 0.00 0.00 177.43 178.52 1ivm n GLY 16 N 1.86 1.70 0.02 1.57 0.00 0.15 -5.03 105.19 105.45 1ivm n GLY 16 Ca -0.30 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1ivm n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N -0.15 1.38 -1.49 1.61 2.81 -0.91 -4.87 117.12 115.50 1ivm n MET 17 Ca 0.00 0.02 -0.50 0.00 -1.81 0.00 0.00 57.70 55.41 1ivm n MET 17 Cb 0.00 -1.09 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm n ALA 18 N -2.44 1.09 -1.61 3.04 0.00 -1.23 0.27 120.51 119.63 1ivm n ALA 18 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ivm n ALA 18 Cb 0.59 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 6.20 0.88 0.70 0.00 0.00 -1.24 -4.77 105.19 106.96 1ivm n GLY 19 Ca 0.38 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.59 -1.75 -0.53 1.61 9.36 0.14 -4.58 117.16 118.82 1ivm n TYR 20 Ca 0.00 -0.08 0.41 0.00 3.32 0.00 0.00 57.90 61.55 1ivm n TYR 20 Cb 0.36 -0.30 0.64 0.00 -0.63 0.00 0.00 39.34 39.42 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 -3.21 0.17 0.16 2.98 4.02 -1.26 -4.20 117.16 115.83 1ivm n TYR 21 Ca 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 1ivm n TYR 21 Cb 0.09 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 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 -1.66 -1.45 3.48 2.72 0.00 -1.26 -5.07 105.19 101.95 1ivm n GLY 22 Ca 0.36 0.29 -0.47 0.00 0.00 0.00 0.00 46.02 46.20 1ivm n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ivm n VAL 23 N -3.21 0.13 -2.50 1.61 0.24 -1.26 -4.84 118.33 108.49 1ivm n VAL 23 Ca 0.00 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.34 61.74 1ivm n VAL 23 Cb 0.00 -1.77 0.05 0.00 -1.47 0.00 0.00 33.84 30.64 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ivm s SER 24 N 8.36 5.12 0.54 -1.34 0.01 -1.26 -1.80 113.70 123.34 1ivm s SER 24 Ca 1.10 0.12 0.33 0.00 1.31 0.00 0.00 55.95 58.81 1ivm s SER 24 Cb -0.75 -0.93 1.50 0.00 0.21 0.00 0.00 66.02 66.04 1ivm s SER 24 CO 0.44 -1.29 1.86 0.17 0.41 0.00 0.00 173.24 174.84 1ivm h LEU 25 N -0.14 0.00 0.21 2.44 -0.00 -1.86 0.34 115.31 116.30 1ivm h LEU 25 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1ivm h LEU 25 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1ivm h LEU 25 CO 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 178.44 178.88 1ivm h ALA 26 N 1.50 -0.29 -0.34 0.17 0.00 -1.92 1.47 119.26 119.86 1ivm h ALA 26 Ca 0.45 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ivm h ALA 26 Cb 1.84 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1ivm h ALA 26 CO -0.00 -0.58 -0.05 -0.44 0.00 0.00 0.00 179.25 178.18 1ivm h ASP 27 N -0.45 0.52 0.54 0.00 5.19 -0.85 1.01 116.42 122.37 1ivm h ASP 27 Ca -0.03 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1ivm h ASP 27 Cb 0.34 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.72 1ivm h ASP 27 CO 0.05 0.63 -0.26 -0.50 -3.12 0.00 0.00 179.24 176.03 1ivm h TRP 28 N 0.52 -0.67 0.18 4.55 4.06 -0.31 0.30 115.95 124.57 1ivm h TRP 28 Ca 0.10 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.05 1ivm h TRP 28 Cb 0.41 0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.76 1ivm h TRP 28 CO 0.01 -0.42 -0.31 0.28 -3.56 0.00 0.00 178.44 174.45 1ivm h VAL 29 N -1.11 0.35 -0.21 1.49 2.07 0.22 0.24 116.25 119.29 1ivm h VAL 29 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1ivm h VAL 29 Cb 0.56 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1ivm h VAL 29 CO 0.12 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.35 1ivm h LEU 31 N -0.39 -0.16 -1.47 0.00 6.46 0.12 1.26 115.31 121.13 1ivm h LEU 31 Ca 0.11 0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1ivm h LEU 31 Cb 0.57 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1ivm h LEU 31 CO -0.42 -0.10 -0.27 0.00 -0.62 0.00 0.00 178.44 177.03 1ivm h ALA 32 N 1.63 1.51 0.13 1.25 0.00 0.20 -1.95 119.26 122.03 1ivm h ALA 32 Ca 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ivm h ALA 32 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ivm h ALA 32 CO -0.56 0.33 -0.06 0.37 0.00 0.00 0.00 179.25 179.33 1ivm h GLN 33 N 0.00 -0.17 -0.04 0.00 -0.00 0.87 0.38 115.11 116.15 1ivm h GLN 33 Ca -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1ivm h GLN 33 Cb 0.49 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1ivm h GLN 33 CO 0.03 0.21 0.05 1.25 0.00 0.00 0.00 178.83 180.37 1ivm h HIS 34 N -0.58 0.00 0.02 3.99 2.76 -0.21 -2.83 115.15 118.30 1ivm h HIS 34 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1ivm h HIS 34 CO 0.05 0.00 -0.01 0.93 -1.30 0.00 0.00 177.93 177.60 1ivm h GLU 35 N 0.00 -0.03 0.00 5.26 4.39 -1.09 -3.49 114.58 119.62 1ivm h GLU 35 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ivm h GLU 35 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ivm h GLU 35 CO -0.00 -0.02 0.00 0.45 -1.16 0.00 0.00 179.01 178.28 1ivm n SER 36 N -4.67 -0.09 -0.47 1.42 2.88 0.98 -5.01 113.62 108.68 1ivm n SER 36 Ca -0.00 0.06 0.03 0.00 -1.33 0.00 0.00 58.87 57.62 1ivm n SER 36 Cb 0.01 0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 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 -2.20 -2.78 0.00 -3.46 5.15 0.84 -4.48 115.26 108.33 1ivm n ASN 37 Ca 0.00 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1ivm n ASN 37 Cb 0.00 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 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 -1.26 0.00 -4.87 1.20 4.01 0.78 -4.60 117.16 112.42 1ivm n TYR 38 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 1ivm n TYR 38 Cb 0.10 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.98 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1ivm s ASN 39 N 0.00 2.68 -0.14 7.72 -0.87 -1.26 0.26 114.94 123.33 1ivm s ASN 39 Ca 0.00 -0.49 0.17 0.00 -1.57 0.00 0.00 52.86 50.97 1ivm s ASN 39 Cb 0.00 -0.26 0.71 0.00 -0.02 0.00 0.00 41.25 41.68 1ivm s ASN 39 CO 0.00 0.22 1.62 0.35 -2.57 0.00 0.00 177.10 176.73 1ivm n THR 40 N 2.09 2.05 0.18 1.60 -2.24 0.72 -4.41 114.28 114.27 1ivm n THR 40 Ca -0.16 -1.30 0.11 0.00 -2.27 0.00 0.00 64.05 60.43 1ivm n THR 40 Cb 0.53 0.02 0.60 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.83 0.15 -1.52 -0.78 3.00 -1.26 -4.43 116.66 112.65 1ivm n ARG 41 Ca 0.25 0.63 -0.32 0.00 -0.00 0.00 0.00 57.85 58.41 1ivm n ARG 41 Cb 0.94 -1.97 -0.13 0.00 0.00 0.00 0.00 32.46 31.30 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 42 N -1.78 0.59 -3.46 5.13 0.00 -1.26 -4.84 120.51 114.89 1ivm n ALA 42 Ca -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 1ivm n ALA 42 Cb 0.05 -2.64 -0.15 0.00 0.00 0.00 0.00 19.45 16.71 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 8.51 -0.04 -0.32 0.00 -4.23 -1.26 0.22 115.64 118.53 1ivm s THR 43 Ca 1.21 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 1ivm s THR 43 Cb -0.78 -0.12 0.15 0.00 1.34 0.00 0.00 72.50 73.09 1ivm s THR 43 CO 0.41 0.05 0.39 0.21 -0.54 0.00 0.00 174.62 175.14 1ivm s ASN 44 N 0.73 0.76 0.41 3.99 2.47 0.56 -4.94 114.94 118.92 1ivm s ASN 44 Ca -0.06 -0.79 -0.05 0.00 0.42 0.00 0.00 52.86 52.38 1ivm s ASN 44 Cb -0.08 0.88 -0.04 0.00 -1.45 0.00 0.00 41.25 40.56 1ivm s ASN 44 CO -0.03 -0.33 0.69 -0.72 -3.72 0.00 0.00 177.10 173.00 1ivm s TYR 45 N 2.19 3.52 -0.30 0.43 1.13 -1.26 0.15 117.35 123.21 1ivm s TYR 45 Ca 0.12 0.73 0.01 0.00 -1.41 0.00 0.00 57.07 56.51 1ivm s TYR 45 Cb -0.13 -2.21 0.19 0.00 -1.10 0.00 0.00 41.96 38.72 1ivm s TYR 45 CO -0.23 -0.09 0.65 -0.80 -2.51 0.00 0.00 175.55 172.58 1ivm s ASN 46 N -3.77 -1.38 0.21 -0.18 0.01 -0.88 -4.91 114.94 104.04 1ivm s ASN 46 Ca 0.46 0.47 0.07 0.00 -0.71 0.00 0.00 52.86 53.15 1ivm s ASN 46 Cb -0.10 2.00 0.12 0.00 0.41 0.00 0.00 41.25 43.68 1ivm s ASN 46 CO 0.38 -0.26 1.47 -0.09 -1.51 0.00 0.00 177.10 177.10 1ivm h ARG 47 N 7.95 0.06 -0.94 -0.60 2.43 -1.94 0.30 114.38 121.64 1ivm h ARG 47 Ca -0.11 -0.06 0.34 0.00 -0.81 0.00 0.00 59.98 59.33 1ivm h ARG 47 Cb 1.18 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1ivm h ARG 47 CO 0.16 0.80 0.59 0.41 -1.51 0.00 0.00 179.97 180.42 1ivm n GLY 48 N 0.67 -0.59 1.81 2.80 0.00 -1.26 0.59 105.19 109.22 1ivm n GLY 48 Ca -0.01 0.55 0.02 0.00 0.00 0.00 0.00 46.02 46.58 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 -4.21 0.98 -3.93 1.61 2.03 -1.23 -5.01 116.55 106.78 1ivm n ASP 49 Ca 0.29 -2.01 -0.34 0.00 0.52 0.00 0.00 54.79 53.24 1ivm n ASP 49 Cb 1.09 -0.29 0.01 0.00 -0.72 0.00 0.00 41.12 41.21 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ivm n GLN 50 N 0.17 -0.52 -3.60 -0.67 -0.06 0.20 -4.92 117.38 107.98 1ivm n GLN 50 Ca 0.04 0.03 -0.23 0.00 -2.00 0.00 0.00 57.00 54.84 1ivm n GLN 50 Cb 1.04 -1.69 -0.16 0.00 -4.06 0.00 0.00 30.24 25.36 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 -3.67 1.91 -0.16 1.69 1.04 0.10 -4.50 113.70 110.11 1ivm s SER 51 Ca 0.32 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 1ivm s SER 51 Cb -0.18 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 1ivm s SER 51 CO 0.75 -0.33 -0.03 -0.89 0.98 0.00 0.00 173.24 173.72 1ivm s THR 52 N 2.19 3.90 -0.28 2.02 2.01 -1.26 -2.07 115.64 122.14 1ivm s THR 52 Ca 0.03 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1ivm s THR 52 Cb -0.15 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1ivm s THR 52 CO -0.09 0.49 -0.00 -1.81 -0.69 0.00 0.00 174.62 172.53 1ivm s ASP 53 N 0.38 4.73 0.24 3.53 1.11 0.39 0.30 116.67 127.37 1ivm s ASP 53 Ca -0.04 -0.98 -0.14 0.00 0.18 0.00 0.00 52.55 51.57 1ivm s ASP 53 Cb -0.14 -1.74 0.00 0.00 1.07 0.00 0.00 42.92 42.11 1ivm s ASP 53 CO 0.03 -0.20 0.49 -0.72 1.18 0.00 0.00 175.17 175.96 1ivm s TYR 54 N 1.34 0.27 0.00 4.23 -0.85 0.11 0.21 117.35 122.67 1ivm s TYR 54 Ca -0.01 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1ivm s TYR 54 Cb -0.18 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.40 1ivm s TYR 54 CO -0.01 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.43 1ivm n GLY 55 N -0.38 2.98 0.38 5.49 0.00 0.13 -0.28 105.19 113.52 1ivm n GLY 55 Ca -0.03 -1.80 0.17 0.00 0.00 0.00 0.00 46.02 44.37 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 0.77 -0.60 -0.61 2.10 -1.84 0.90 117.51 118.24 1ivm h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1ivm h ILE 56 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.18 1ivm h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1ivm n PHE 57 N -4.45 0.82 -3.15 2.19 3.01 -1.26 -4.01 117.46 110.60 1ivm n PHE 57 Ca 0.13 -0.40 -0.14 0.00 1.01 0.00 0.00 57.45 58.05 1ivm n PHE 57 Cb 0.56 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 40.04 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1ivm n GLN 58 N 1.24 -1.75 -4.38 -1.08 -0.06 0.31 -4.99 117.38 106.67 1ivm n GLN 58 Ca 0.20 1.58 -0.30 0.00 -2.00 0.00 0.00 57.00 56.47 1ivm n GLN 58 Cb 0.51 -2.91 -0.11 0.00 -4.06 0.00 0.00 30.24 23.67 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 -1.54 3.20 0.02 1.69 1.01 0.61 -4.84 121.20 121.35 1ivm s ILE 59 Ca 0.17 -1.20 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 1ivm s ILE 59 Cb -0.03 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1ivm s ILE 59 CO 0.56 0.21 0.48 0.20 0.00 0.00 0.00 174.94 176.40 1ivm s ASN 60 N -1.88 6.91 0.00 3.58 -0.87 -1.26 0.10 114.94 121.52 1ivm s ASN 60 Ca 0.18 1.08 0.24 0.00 -1.57 0.00 0.00 52.86 52.79 1ivm s ASN 60 Cb -0.11 -2.30 0.73 0.00 -0.02 0.00 0.00 41.25 39.55 1ivm s ASN 60 CO 0.10 0.28 1.56 -0.24 -2.57 0.00 0.00 177.10 176.22 1ivm n SER 61 N 1.93 2.01 0.07 -1.22 2.88 0.89 -2.32 113.62 117.86 1ivm n SER 61 Ca -0.12 -1.72 0.12 0.00 -1.33 0.00 0.00 58.87 55.83 1ivm n SER 61 Cb 0.52 -0.08 0.18 0.00 -0.75 0.00 0.00 64.21 64.08 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 2.84 0.00 0.00 -1.46 2.43 -1.79 -3.38 114.38 113.02 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 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1ivm h ARG 62 CO 0.00 0.00 -0.89 0.66 -1.51 0.00 0.00 179.97 178.23 1ivm n TYR 63 N -2.18 0.00 -4.58 2.20 4.02 -1.24 -3.53 117.16 111.85 1ivm n TYR 63 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 1ivm n TYR 63 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.89 2.45 0.62 -0.72 0.51 -0.98 -0.52 118.94 118.40 1ivm s TRP 64 Ca 0.00 -0.58 0.00 0.00 -2.12 0.00 0.00 56.10 53.40 1ivm s TRP 64 Cb 0.00 -1.55 0.00 0.00 -0.81 0.00 0.00 33.47 31.11 1ivm s TRP 64 CO 0.00 0.52 0.00 0.00 -0.51 0.00 0.00 176.95 176.96 1ivm n ASN 66 N -3.75 0.00 0.08 0.00 5.15 -0.57 -3.82 115.26 112.35 1ivm n ASN 66 Ca -0.06 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1ivm n ASN 66 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 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 -1.12 -0.54 0.00 1.20 -0.08 -1.26 -2.60 116.55 112.14 1ivm n ASP 67 Ca 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1ivm n ASP 67 Cb 0.00 0.65 0.00 0.00 2.34 0.00 0.00 41.12 44.11 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 0.81 0.81 0.08 0.27 0.00 -1.26 -4.92 105.19 100.98 1ivm n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.75 3.32 -3.88 1.61 5.02 -1.26 -4.87 118.16 117.35 1ivm n LYS 69 Ca 0.00 -0.30 -0.30 0.00 -2.02 0.00 0.00 58.31 55.68 1ivm n LYS 69 Cb 0.00 -0.86 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ivm s THR 70 N -1.03 1.90 -0.87 -0.18 2.01 -1.26 -5.00 115.64 111.20 1ivm s THR 70 Ca 0.03 -2.47 -0.07 0.00 0.31 0.00 0.00 61.69 59.49 1ivm s THR 70 Cb 0.04 -2.37 -0.11 0.00 0.01 0.00 0.00 72.50 70.07 1ivm s THR 70 CO 0.14 -0.73 2.59 -0.81 -0.69 0.00 0.00 174.62 175.12 1ivm n PRO 71 N 3.91 2.42 0.07 4.92 -0.04 -1.26 -3.63 135.00 141.39 1ivm n PRO 71 Ca 0.04 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1ivm n PRO 71 Cb 0.38 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.55 0.00 -1.46 0.54 0.63 -1.26 -5.09 116.66 113.57 1ivm n ARG 72 Ca 0.52 0.00 -0.53 0.00 -0.92 0.00 0.00 57.85 56.91 1ivm n ARG 72 Cb 0.32 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.18 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 -2.93 -3.18 -2.62 5.13 0.00 -1.24 -4.82 120.51 110.85 1ivm n ALA 73 Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 1ivm n ALA 73 Cb 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 19.45 17.76 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 0.80 5.77 -1.52 0.00 3.14 -1.23 -4.96 118.33 120.32 1ivm n VAL 74 Ca 0.19 -5.69 -0.27 0.00 -2.96 0.00 0.00 64.34 55.61 1ivm n VAL 74 Cb 0.17 -1.77 -0.14 0.00 -1.06 0.00 0.00 33.84 31.04 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 0.64 0.44 0.02 6.55 6.94 -1.24 -4.30 115.26 124.31 1ivm n ASN 75 Ca 0.44 -0.61 0.14 0.00 -0.02 0.00 0.00 54.58 54.52 1ivm n ASN 75 Cb 0.28 -1.10 0.52 0.00 -2.36 0.00 0.00 39.78 37.13 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm n ALA 76 N 11.88 2.51 0.01 -2.53 0.00 0.32 -3.30 120.51 129.40 1ivm n ALA 76 Ca 0.57 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1ivm n ALA 76 Cb 0.26 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.16 1ivm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivm n GLY 78 N 1.98 -0.17 3.53 0.00 0.00 -1.21 -4.90 105.19 104.42 1ivm n GLY 78 Ca -0.31 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.21 0.00 -0.11 -0.61 -0.00 -1.26 -5.01 121.20 111.01 1ivm s ILE 79 Ca 0.22 -1.51 -0.30 0.00 -0.00 0.00 0.00 60.65 59.07 1ivm s ILE 79 Cb -0.03 -2.28 -0.02 0.00 -0.00 0.00 0.00 42.46 40.13 1ivm s ILE 79 CO 0.40 0.00 1.20 0.20 -0.00 0.00 0.00 174.94 176.74 1ivm s ASN 80 N -3.05 7.02 0.36 4.36 0.01 -1.26 -1.52 114.94 120.86 1ivm s ASN 80 Ca 0.25 1.73 0.11 0.00 -0.71 0.00 0.00 52.86 54.24 1ivm s ASN 80 Cb 0.00 -2.55 0.88 0.00 0.41 0.00 0.00 41.25 39.99 1ivm s ASN 80 CO 0.10 -0.65 1.82 0.00 -1.51 0.00 0.00 177.10 176.87 1ivm h SER 82 N 0.63 0.00 0.02 0.00 0.87 -1.90 0.20 113.55 113.37 1ivm h SER 82 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1ivm h SER 82 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1ivm h SER 82 CO -0.27 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.03 1ivm h ALA 83 N 1.96 1.00 -0.62 6.23 0.00 0.96 0.72 119.26 129.51 1ivm h ALA 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ivm h ALA 83 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ivm h ALA 83 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ivm n LEU 84 N -2.67 4.87 -0.60 0.00 4.32 0.70 -3.91 117.00 119.71 1ivm n LEU 84 Ca -0.02 -2.46 0.02 0.00 -0.02 0.00 0.00 56.01 53.53 1ivm n LEU 84 Cb 0.06 -0.60 0.02 0.00 -1.62 0.00 0.00 43.42 41.28 1ivm n LEU 84 CO 0.15 0.75 0.26 -0.11 -1.22 0.00 0.00 177.39 177.22 1ivm n LEU 85 N 1.01 0.46 0.00 2.23 7.94 0.25 -4.37 117.00 124.51 1ivm n LEU 85 Ca 0.26 -1.44 0.00 0.00 -1.11 0.00 0.00 56.01 53.72 1ivm n LEU 85 Cb 0.94 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.83 1ivm n LEU 85 CO 0.25 0.36 0.00 0.00 -1.11 0.00 0.00 177.39 176.89 1ivm n GLN 86 N -0.11 1.80 0.00 1.96 6.02 -1.09 -4.85 117.38 121.11 1ivm n GLN 86 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1ivm n GLN 86 Cb 0.76 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.02 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ivm n ASP 87 N -1.81 0.00 -4.68 1.08 2.03 -1.26 -4.37 116.55 107.54 1ivm n ASP 87 Ca 0.00 0.12 -0.64 0.00 0.52 0.00 0.00 54.79 54.79 1ivm n ASP 87 Cb 0.00 -0.24 -0.09 0.00 -0.72 0.00 0.00 41.12 40.07 1ivm n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ivm n ASP 88 N -1.59 1.04 0.00 1.67 5.68 -1.26 -4.76 116.55 117.34 1ivm n ASP 88 Ca 0.00 1.17 0.15 0.00 -0.50 0.00 0.00 54.79 55.61 1ivm n ASP 88 Cb 0.00 -0.93 0.82 0.00 -1.14 0.00 0.00 41.12 39.87 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1ivm n ILE 89 N 3.37 0.03 -0.40 2.12 -5.35 -1.26 -3.75 119.36 114.12 1ivm n ILE 89 Ca 0.27 0.01 0.32 0.00 -0.27 0.00 0.00 62.75 63.08 1ivm n ILE 89 Cb 0.00 -0.53 0.60 0.00 -1.74 0.00 0.00 39.64 37.98 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 0.00 0.27 -0.13 7.28 1.03 -1.95 1.65 112.91 121.05 1ivm h THR 90 Ca 0.00 -0.07 -0.22 0.00 -0.01 0.00 0.00 66.41 66.12 1ivm h THR 90 Cb 0.13 0.06 0.01 0.00 -1.07 0.00 0.00 68.15 67.28 1ivm h THR 90 CO 0.00 0.03 -0.77 0.00 -0.01 0.00 0.00 175.52 174.77 1ivm h ALA 91 N 1.61 0.38 -0.67 0.00 0.00 -1.84 0.14 119.26 118.88 1ivm h ALA 91 Ca 0.74 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ivm h ALA 91 Cb 2.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1ivm h ALA 91 CO -0.37 0.70 0.24 0.00 0.00 0.00 0.00 179.25 179.82 1ivm h ALA 92 N 0.65 1.15 0.05 0.00 0.00 0.20 0.22 119.26 121.53 1ivm h ALA 92 Ca -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ivm h ALA 92 Cb 1.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ivm h ALA 92 CO 0.15 0.60 -0.03 0.82 0.00 0.00 0.00 179.25 180.80 1ivm h ILE 93 N 0.98 1.29 -0.58 0.00 2.04 -0.32 0.43 117.51 121.36 1ivm h ILE 93 Ca 0.22 -1.43 0.10 0.00 1.00 0.00 0.00 64.86 64.76 1ivm h ILE 93 Cb 0.24 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1ivm h ILE 93 CO -0.01 0.34 0.14 -0.61 0.00 0.00 0.00 178.15 178.01 1ivm h GLN 94 N -0.74 0.27 -0.06 2.37 4.15 -0.57 0.56 115.11 121.09 1ivm h GLN 94 Ca -0.01 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1ivm h GLN 94 Cb 0.62 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ivm h GLN 94 CO 0.01 0.18 -0.09 0.00 -1.93 0.00 0.00 178.83 177.00 1ivm h ALA 96 N 0.51 1.25 -0.03 0.00 0.00 0.79 1.36 119.26 123.13 1ivm h ALA 96 Ca 0.01 0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1ivm h ALA 96 Cb 0.64 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1ivm h ALA 96 CO 0.02 -0.34 -0.86 1.57 0.00 0.00 0.00 179.25 179.63 1ivm h LYS 97 N 0.34 0.64 0.00 0.00 2.10 0.18 0.14 116.57 119.97 1ivm h LYS 97 Ca 0.51 -0.65 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1ivm h LYS 97 Cb 0.93 0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1ivm h LYS 97 CO -0.53 1.25 -0.04 -0.09 -2.00 0.00 0.00 179.45 178.04 1ivm h ARG 98 N 0.29 0.00 0.00 0.07 9.65 0.29 0.66 114.38 125.34 1ivm h ARG 98 Ca -0.10 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 1ivm h ARG 98 Cb 1.53 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.10 1ivm h ARG 98 CO 0.17 0.04 -0.71 0.28 2.80 0.00 0.00 179.97 182.55 1ivm n VAL 99 N -3.62 1.45 0.18 0.20 0.31 0.43 -4.09 118.33 113.19 1ivm n VAL 99 Ca -0.02 0.15 0.18 0.00 -0.01 0.00 0.00 64.34 64.63 1ivm n VAL 99 Cb 0.14 -2.30 0.80 0.00 -0.91 0.00 0.00 33.84 31.57 1ivm n VAL 99 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ivm h VAL 100 N -1.00 0.49 0.00 2.52 2.07 -0.61 0.13 116.25 119.85 1ivm h VAL 100 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ivm h VAL 100 Cb 0.72 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ivm h VAL 100 CO -0.06 0.00 0.37 0.03 0.02 0.00 0.00 177.57 177.93 1ivm h ARG 101 N 0.00 0.00 -7.58 1.57 3.08 0.18 -3.32 114.38 108.32 1ivm h ARG 101 Ca 0.11 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.73 1ivm h ARG 101 Cb 0.59 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.82 1ivm h ARG 101 CO -0.00 0.00 0.26 -0.51 -1.07 0.00 0.00 179.97 178.65 1ivm s ASP 102 N -4.29 1.95 0.00 7.04 1.11 0.45 -4.90 116.67 118.03 1ivm s ASP 102 Ca -0.03 0.49 0.20 0.00 0.18 0.00 0.00 52.55 53.39 1ivm s ASP 102 Cb 0.08 -0.67 1.17 0.00 1.07 0.00 0.00 42.92 44.57 1ivm s ASP 102 CO 0.25 -3.48 1.60 -0.81 1.18 0.00 0.00 175.17 173.91 1ivm n PRO 103 N -4.30 0.75 0.11 8.23 -0.04 -1.26 -3.63 135.00 134.85 1ivm n PRO 103 Ca 0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1ivm n PRO 103 Cb 0.59 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.32 0.00 0.54 1.08 -1.87 -3.51 115.11 111.03 1ivm h GLN 104 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ivm h GLN 104 Cb 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1ivm h GLN 104 CO 0.00 -0.21 0.00 0.41 -0.95 0.00 0.00 178.83 178.08 1ivm n GLY 105 N 0.50 -1.38 0.43 3.46 0.00 -1.24 -4.35 105.19 102.61 1ivm n GLY 105 Ca -0.04 -1.55 0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 0.17 -1.50 -0.61 1.08 -1.95 0.14 117.51 114.85 1ivm h ILE 106 Ca 0.00 0.00 0.47 0.00 -0.39 0.00 0.00 64.86 64.94 1ivm h ILE 106 Cb 0.00 0.38 -0.10 0.00 -3.07 0.00 0.00 36.82 34.02 1ivm h ILE 106 CO 0.00 0.00 1.02 -0.09 -0.69 0.00 0.00 178.15 178.39 1ivm h ARG 107 N 0.00 0.05 -1.22 2.37 2.43 -2.00 1.45 114.38 117.46 1ivm h ARG 107 Ca 0.28 -0.00 0.35 0.00 -0.81 0.00 0.00 59.98 59.79 1ivm h ARG 107 Cb 1.78 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 31.24 1ivm h ARG 107 CO -0.00 0.04 0.84 0.00 -1.51 0.00 0.00 179.97 179.33 1ivm h ALA 108 N 1.40 2.86 -0.83 2.80 0.00 -0.92 1.00 119.26 125.58 1ivm h ALA 108 Ca 0.83 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 55.11 1ivm h ALA 108 Cb 2.89 0.09 -0.24 0.00 0.00 0.00 0.00 17.79 20.53 1ivm h ALA 108 CO -0.25 -1.27 0.79 0.91 0.00 0.00 0.00 179.25 179.42 1ivm n TRP 109 N -4.36 2.53 -0.56 0.00 8.01 0.50 -4.68 117.44 118.87 1ivm n TRP 109 Ca 0.28 -2.33 0.46 0.00 -1.31 0.00 0.00 57.50 54.60 1ivm n TRP 109 Cb 1.22 -1.27 0.71 0.00 -2.01 0.00 0.00 31.31 29.95 1ivm n TRP 109 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1ivm h VAL 110 N 1.70 0.00 -0.92 -0.99 2.07 0.91 0.47 116.25 119.49 1ivm h VAL 110 Ca 0.50 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.20 1ivm h VAL 110 Cb 0.45 0.01 -0.17 0.00 -1.52 0.00 0.00 31.29 30.06 1ivm h VAL 110 CO 1.26 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 178.58 1ivm h ALA 111 N 0.86 0.46 -0.74 1.67 0.00 -1.83 2.03 119.26 121.70 1ivm h ALA 111 Ca 0.80 0.33 0.04 0.00 0.00 0.00 0.00 54.91 56.08 1ivm h ALA 111 Cb 3.53 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 22.05 1ivm h ALA 111 CO -0.01 -0.46 0.45 2.35 0.00 0.00 0.00 179.25 181.58 1ivm h TRP 112 N -0.01 0.85 0.00 0.00 2.91 -0.43 0.57 115.95 119.84 1ivm h TRP 112 Ca 0.41 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.45 1ivm h TRP 112 Cb 0.65 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1ivm h TRP 112 CO -0.75 0.46 0.00 -2.13 -1.03 0.00 0.00 178.44 174.99 1ivm n ARG 113 N -4.67 0.06 -1.45 2.65 0.00 0.64 0.18 116.66 114.07 1ivm n ARG 113 Ca 0.09 0.25 -0.01 0.00 -0.00 0.00 0.00 57.85 58.18 1ivm n ARG 113 Cb 0.12 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.18 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 114 N -1.43 3.36 0.02 5.13 0.00 0.17 -4.41 120.51 123.37 1ivm n ALA 114 Ca 0.04 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1ivm n ALA 114 Cb 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.48 -1.94 -0.07 0.00 -0.00 0.38 -4.92 115.22 108.19 1ivm n HIS 115 Ca 0.18 0.15 -0.21 0.00 0.46 0.00 0.00 57.72 58.29 1ivm n HIS 115 Cb 0.89 0.78 -0.12 0.00 -0.12 0.00 0.00 29.99 31.42 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 -4.19 0.00 0.00 0.00 6.02 -0.76 -1.62 117.38 116.84 1ivm n GLN 117 Ca -0.30 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 1ivm n GLN 117 Cb 0.77 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 5.68 0.00 -1.53 1.08 2.85 -1.26 -4.81 115.26 117.27 1ivm n ASN 118 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1ivm n ASN 118 Cb 0.08 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1ivm n ASN 118 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1ivm n ARG 119 N -1.97 1.24 -3.23 1.20 0.63 -0.64 -5.10 116.66 108.79 1ivm n ARG 119 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 1ivm n ARG 119 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 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 -0.92 6.18 -0.18 6.15 2.15 -1.26 -4.86 116.67 123.93 1ivm s ASP 120 Ca 0.00 -1.50 0.14 0.00 0.43 0.00 0.00 52.55 51.62 1ivm s ASP 120 Cb 0.00 -2.25 0.73 0.00 -0.30 0.00 0.00 42.92 41.10 1ivm s ASP 120 CO 0.00 -0.93 1.62 -0.11 -0.17 0.00 0.00 175.17 175.59 1ivm n LEU 121 N 5.73 5.07 0.21 -1.34 7.94 -1.26 -4.19 117.00 129.17 1ivm n LEU 121 Ca -0.11 -2.57 0.15 0.00 -1.11 0.00 0.00 56.01 52.36 1ivm n LEU 121 Cb 0.42 -0.64 0.52 0.00 0.53 0.00 0.00 43.42 44.25 1ivm n LEU 121 CO 0.55 0.65 0.92 0.28 -1.11 0.00 0.00 177.39 178.67 1ivm h SER 122 N 3.71 0.00 0.86 1.96 0.02 -1.97 -2.31 113.55 115.83 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1ivm h SER 122 CO 0.38 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.74 1ivm n GLN 123 N -2.79 0.01 0.10 3.45 7.27 -1.26 -1.50 117.38 122.66 1ivm n GLN 123 Ca 0.02 0.09 -0.04 0.00 0.07 0.00 0.00 57.00 57.14 1ivm n GLN 123 Cb 0.34 -1.52 0.05 0.00 2.41 0.00 0.00 30.24 31.52 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 0.00 0.01 3.69 3.20 -1.73 -3.33 116.97 118.81 1ivm h TYR 124 Ca 0.00 -0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.46 1ivm h TYR 124 Cb 0.43 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 1ivm h TYR 124 CO 0.00 0.78 -2.41 0.44 -1.64 0.00 0.00 178.16 175.33 1ivm n ILE 125 N -3.61 1.53 -1.63 1.81 -5.35 -1.14 -4.80 119.36 106.17 1ivm n ILE 125 Ca -0.01 -0.51 -0.40 0.00 -0.27 0.00 0.00 62.75 61.57 1ivm n ILE 125 Cb 0.75 -1.59 -0.03 0.00 -1.74 0.00 0.00 39.64 37.03 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.51 2.64 0.00 6.28 6.06 -0.56 -2.85 118.95 128.00 1ivm s ARG 126 Ca -0.35 1.63 0.00 0.00 -2.50 0.00 0.00 55.73 54.51 1ivm s ARG 126 Cb 0.10 -4.46 0.00 0.00 0.06 0.00 0.00 34.95 30.65 1ivm s ARG 126 CO 0.59 -2.67 0.00 0.09 -2.50 0.00 0.00 175.30 170.81 1ivm n ASN 127 N 13.62 0.00 0.20 -2.12 4.13 -1.26 -4.79 115.26 125.03 1ivm n ASN 127 Ca 0.32 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.65 1ivm n ASN 127 Cb 0.50 0.00 0.36 0.00 -1.54 0.00 0.00 39.78 39.10 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 0.28 1.86 0.49 0.00 0.00 -1.26 -5.15 105.19 101.41 1ivm n GLY 129 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70