#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 1.10 -0.30 3.15 1.01 -1.25 -0.01 120.40 124.09 1ivm s VAL 2 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1ivm s VAL 2 Cb 0.00 -0.97 0.15 0.00 0.00 0.00 0.00 36.38 35.56 1ivm s VAL 2 CO 0.00 0.33 0.64 -0.31 0.00 0.00 0.00 175.10 175.76 1ivm s TYR 3 N 0.29 -1.43 0.49 5.22 1.51 0.67 -4.93 117.35 119.18 1ivm s TYR 3 Ca -0.07 2.08 0.05 0.00 -1.01 0.00 0.00 57.07 58.12 1ivm s TYR 3 Cb -0.12 0.71 0.02 0.00 -0.11 0.00 0.00 41.96 42.47 1ivm s TYR 3 CO 0.02 -0.74 0.68 -1.83 -1.11 0.00 0.00 175.55 172.57 1ivm s GLU 4 N 2.88 2.66 0.13 -0.62 1.03 -1.26 0.24 118.70 123.76 1ivm s GLU 4 Ca 0.04 -1.02 -0.20 0.00 0.03 0.00 0.00 54.97 53.82 1ivm s GLU 4 Cb -0.13 -2.62 0.01 0.00 -0.80 0.00 0.00 34.13 30.60 1ivm s GLU 4 CO -0.20 -0.52 1.14 2.89 -1.33 0.00 0.00 175.26 177.25 1ivm n ARG 5 N -2.12 -0.28 0.00 -4.83 0.00 -1.26 0.54 116.66 108.72 1ivm n ARG 5 Ca 0.08 1.12 0.00 0.00 -0.00 0.00 0.00 57.85 59.06 1ivm n ARG 5 Cb 0.59 -1.66 0.00 0.00 -0.00 0.00 0.00 32.46 31.40 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 -0.93 -0.11 -0.33 0.00 1.02 -0.58 0.93 120.64 120.64 1ivm n GLU 7 Ca 0.00 0.75 -0.04 0.00 -0.02 0.00 0.00 57.16 57.85 1ivm n GLU 7 Cb 0.00 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1ivm n GLU 7 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1ivm h PHE 8 N 0.00 -1.16 -0.08 -0.32 0.04 0.18 0.54 116.94 116.14 1ivm h PHE 8 Ca 0.04 0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.95 1ivm h PHE 8 Cb 0.11 0.63 -0.05 0.00 2.20 0.00 0.00 35.95 38.84 1ivm h PHE 8 CO -0.61 -0.40 -0.24 0.00 -0.60 0.00 0.00 178.31 176.47 1ivm h ALA 9 N 1.12 -0.26 0.01 2.45 0.00 0.41 0.70 119.26 123.70 1ivm h ALA 9 Ca 0.29 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ivm h ALA 9 Cb 0.57 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1ivm h ALA 9 CO -0.88 -0.72 -0.42 -0.09 0.00 0.00 0.00 179.25 177.14 1ivm h ARG 10 N -0.33 -0.57 -0.04 0.00 2.43 0.27 0.15 114.38 116.29 1ivm h ARG 10 Ca 0.08 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1ivm h ARG 10 Cb 0.45 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1ivm h ARG 10 CO -0.27 -0.38 -0.21 1.15 -1.51 0.00 0.00 179.97 178.75 1ivm h THR 11 N -0.59 0.49 -0.58 0.20 2.02 0.35 0.79 112.91 115.59 1ivm h THR 11 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1ivm h THR 11 Cb 0.66 0.49 -0.11 0.00 -1.74 0.00 0.00 68.15 67.45 1ivm h THR 11 CO -0.31 0.00 -0.24 0.25 0.37 0.00 0.00 175.52 175.59 1ivm h LEU 12 N -0.32 -0.85 -1.35 2.58 5.85 0.92 1.72 115.31 123.86 1ivm h LEU 12 Ca 0.07 0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1ivm h LEU 12 Cb 0.42 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1ivm h LEU 12 CO -0.23 -0.26 -0.33 0.50 -0.34 0.00 0.00 178.44 177.79 1ivm h LYS 13 N -0.10 0.00 0.00 1.25 3.64 0.03 0.57 116.57 121.96 1ivm h LYS 13 Ca 0.26 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1ivm h LYS 13 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1ivm h LYS 13 CO -0.64 0.33 -0.36 -0.09 -2.27 0.00 0.00 179.45 176.42 1ivm h ARG 14 N 0.00 0.00 0.13 1.90 2.43 0.76 -3.18 114.38 116.41 1ivm h ARG 14 Ca -0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1ivm h ARG 14 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1ivm h ARG 14 CO 0.04 0.36 -1.94 -0.97 -1.51 0.00 0.00 179.97 175.95 1ivm h ASN 15 N 0.00 0.43 0.00 -3.80 -0.73 0.31 -3.49 115.58 108.30 1ivm h ASN 15 Ca -0.00 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 57.27 1ivm h ASN 15 Cb 0.98 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.43 1ivm h ASN 15 CO 0.05 1.80 0.00 0.61 -0.37 0.00 0.00 177.43 179.52 1ivm n GLY 16 N 1.95 0.90 0.00 1.57 0.00 0.18 -5.05 105.19 104.74 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 0.25 -1.43 1.61 1.56 0.09 -4.87 117.12 114.32 1ivm n MET 17 Ca 0.00 0.00 -0.51 0.00 -0.27 0.00 0.00 57.70 56.92 1ivm n MET 17 Cb 0.00 -0.87 -0.07 0.00 2.15 0.00 0.00 33.22 34.42 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ivm n ALA 18 N -2.19 1.02 -2.16 -5.12 0.00 -1.19 0.94 120.51 111.81 1ivm n ALA 18 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ivm n ALA 18 Cb 0.37 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 6.61 0.68 1.87 0.00 0.00 -1.22 -4.73 105.19 108.40 1ivm n GLY 19 Ca 0.42 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.21 -2.02 -0.26 1.61 9.36 0.27 -4.68 117.16 118.23 1ivm n TYR 20 Ca 0.00 -0.06 0.06 0.00 3.32 0.00 0.00 57.90 61.21 1ivm n TYR 20 Cb 0.48 -0.83 0.12 0.00 -0.63 0.00 0.00 39.34 38.49 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 -3.76 0.30 0.07 2.98 4.02 -1.26 -4.07 117.16 115.44 1ivm n TYR 21 Ca 0.05 0.88 0.00 0.00 -0.01 0.00 0.00 57.90 58.82 1ivm n TYR 21 Cb 0.20 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.57 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 -1.44 -0.12 3.58 2.72 0.00 -1.26 -5.05 105.19 103.61 1ivm n GLY 22 Ca 0.13 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.54 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.32 0.01 -3.20 1.61 0.31 -1.26 -4.90 118.33 107.58 1ivm n VAL 23 Ca 0.00 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1ivm n VAL 23 Cb 0.00 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ivm s SER 24 N 0.89 6.49 0.16 4.52 0.15 -1.26 -0.77 113.70 123.89 1ivm s SER 24 Ca 0.94 0.87 -0.16 0.00 0.70 0.00 0.00 55.95 58.30 1ivm s SER 24 Cb -1.29 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 60.85 1ivm s SER 24 CO 0.62 -0.24 1.82 0.25 1.20 0.00 0.00 173.24 176.89 1ivm h LEU 25 N 1.67 0.48 -0.58 3.45 5.85 -1.86 0.58 115.31 124.90 1ivm h LEU 25 Ca -0.47 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.30 1ivm h LEU 25 Cb 1.19 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1ivm h LEU 25 CO 0.66 0.35 0.29 0.00 -0.34 0.00 0.00 178.44 179.40 1ivm h ALA 26 N 1.17 0.76 -0.17 1.25 0.00 -1.92 0.23 119.26 120.58 1ivm h ALA 26 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ivm h ALA 26 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ivm h ALA 26 CO -0.04 -0.07 -0.35 -0.44 0.00 0.00 0.00 179.25 178.35 1ivm h ASP 27 N 0.54 0.37 0.49 0.00 3.32 -1.71 0.13 116.42 119.57 1ivm h ASP 27 Ca 0.27 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ivm h ASP 27 Cb 0.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1ivm h ASP 27 CO -0.20 0.70 -0.24 -0.50 -1.72 0.00 0.00 179.24 177.29 1ivm h TRP 28 N 0.31 -0.61 0.34 4.55 -0.00 0.21 1.47 115.95 122.22 1ivm h TRP 28 Ca 0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1ivm h TRP 28 Cb 0.76 0.20 0.00 0.00 -0.00 0.00 0.00 29.16 30.13 1ivm h TRP 28 CO 0.02 -0.36 -0.16 0.28 -0.00 0.00 0.00 178.44 178.22 1ivm h VAL 29 N -0.70 0.67 -0.48 1.49 2.07 -0.50 0.17 116.25 118.96 1ivm h VAL 29 Ca -0.07 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1ivm h VAL 29 Cb 0.53 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1ivm h VAL 29 CO 0.11 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.76 1ivm h LEU 31 N 0.18 -0.56 -1.91 0.00 6.46 0.25 0.41 115.31 120.15 1ivm h LEU 31 Ca 0.24 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 58.07 1ivm h LEU 31 Cb 0.34 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1ivm h LEU 31 CO -0.35 -0.23 -0.12 0.00 -0.62 0.00 0.00 178.44 177.12 1ivm h ALA 32 N 0.81 1.42 0.20 1.25 0.00 0.71 -1.00 119.26 122.66 1ivm h ALA 32 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ivm h ALA 32 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ivm h ALA 32 CO -0.27 0.15 -0.10 0.37 0.00 0.00 0.00 179.25 179.41 1ivm h GLN 33 N 0.00 -0.26 0.00 0.00 5.75 0.43 0.29 115.11 121.32 1ivm h GLN 33 Ca -0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1ivm h GLN 33 Cb 0.29 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1ivm h GLN 33 CO 0.02 0.12 -0.08 1.25 -2.65 0.00 0.00 178.83 177.48 1ivm h HIS 34 N -0.72 0.00 0.19 3.99 2.76 -0.05 -2.85 115.15 118.47 1ivm h HIS 34 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1ivm h HIS 34 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1ivm h HIS 34 CO 0.05 0.08 -0.09 0.93 -1.30 0.00 0.00 177.93 177.61 1ivm h GLU 35 N 0.00 -0.25 0.00 5.26 4.39 -1.05 -3.49 114.58 119.44 1ivm h GLU 35 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ivm h GLU 35 Cb 0.17 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ivm h GLU 35 CO 0.01 0.10 0.00 0.43 -1.16 0.00 0.00 179.01 178.39 1ivm n SER 36 N -4.94 0.00 -0.34 1.42 7.64 0.74 -4.66 113.62 113.48 1ivm n SER 36 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ivm n SER 36 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ivm n ASN 37 N 0.00 -3.10 0.00 6.43 5.15 0.49 -4.75 115.26 119.48 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 -0.68 0.00 -3.21 1.20 4.01 0.65 -4.48 117.16 114.66 1ivm n TYR 38 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1ivm n TYR 38 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 -4.00 7.06 -0.80 7.72 -0.87 -1.26 0.24 114.94 123.04 1ivm s ASN 39 Ca 0.00 1.26 -0.06 0.00 -1.57 0.00 0.00 52.86 52.49 1ivm s ASN 39 Cb 0.00 -2.38 -0.06 0.00 -0.02 0.00 0.00 41.25 38.79 1ivm s ASN 39 CO 0.00 0.18 2.99 0.35 -2.57 0.00 0.00 177.10 178.05 1ivm n THR 40 N 2.18 3.90 -0.12 1.60 -2.24 0.98 -4.21 114.28 116.37 1ivm n THR 40 Ca -0.08 -2.74 -0.23 0.00 -2.27 0.00 0.00 64.05 58.72 1ivm n THR 40 Cb 0.51 -2.07 -0.11 0.00 -2.10 0.00 0.00 70.33 66.55 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 2.20 0.63 -1.40 -0.78 0.63 -1.26 -4.89 116.66 111.79 1ivm n ARG 41 Ca 0.58 0.23 -0.45 0.00 -0.92 0.00 0.00 57.85 57.28 1ivm n ARG 41 Cb 0.51 -1.54 -0.14 0.00 0.45 0.00 0.00 32.46 31.75 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 -3.64 0.26 -2.75 5.13 0.00 -1.26 -4.84 120.51 113.41 1ivm n ALA 42 Ca -0.48 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 52.63 1ivm n ALA 42 Cb 0.94 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 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 7.99 0.64 -0.46 0.00 -4.23 -1.26 0.20 115.64 118.52 1ivm s THR 43 Ca 1.29 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 61.49 1ivm s THR 43 Cb -1.29 -0.55 0.14 0.00 1.34 0.00 0.00 72.50 72.14 1ivm s THR 43 CO 0.52 0.19 0.26 0.21 -0.54 0.00 0.00 174.62 175.26 1ivm s ASN 44 N -0.12 3.67 0.34 3.99 3.84 0.20 -4.91 114.94 121.95 1ivm s ASN 44 Ca 0.02 -2.77 -0.00 0.00 0.21 0.00 0.00 52.86 50.32 1ivm s ASN 44 Cb -0.04 -1.09 -0.03 0.00 -0.55 0.00 0.00 41.25 39.53 1ivm s ASN 44 CO -0.00 -0.25 0.55 -0.72 -2.79 0.00 0.00 177.10 173.90 1ivm s TYR 45 N 0.15 3.50 -0.29 0.43 -0.85 -1.26 0.20 117.35 119.23 1ivm s TYR 45 Ca 0.19 0.39 0.01 0.00 -0.52 0.00 0.00 57.07 57.14 1ivm s TYR 45 Cb -0.21 -1.92 0.19 0.00 0.38 0.00 0.00 41.96 40.40 1ivm s TYR 45 CO -0.02 0.12 0.65 -0.80 -1.52 0.00 0.00 175.55 173.97 1ivm s ASN 46 N -3.95 -1.40 0.13 -0.18 -0.87 0.24 -4.92 114.94 104.00 1ivm s ASN 46 Ca 0.40 0.45 0.01 0.00 -1.57 0.00 0.00 52.86 52.16 1ivm s ASN 46 Cb -0.10 2.00 -0.11 0.00 -0.02 0.00 0.00 41.25 43.02 1ivm s ASN 46 CO 0.36 -0.26 1.30 -0.09 -2.57 0.00 0.00 177.10 175.84 1ivm h ARG 47 N 7.95 0.19 -0.86 -0.60 2.43 -1.95 0.84 114.38 122.38 1ivm h ARG 47 Ca -0.11 -0.25 0.22 0.00 -0.81 0.00 0.00 59.98 59.04 1ivm h ARG 47 Cb 1.18 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.66 1ivm h ARG 47 CO 0.16 1.03 0.05 0.78 -1.51 0.00 0.00 179.97 180.49 1ivm h GLY 48 N 1.97 1.08 -1.26 2.80 0.00 -1.95 0.32 103.07 106.02 1ivm h GLY 48 Ca -0.06 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1ivm h GLY 48 CO 0.15 -0.38 -0.11 1.34 0.00 0.00 0.00 176.54 177.54 1ivm n ASP 49 N -5.38 2.70 -3.95 0.19 -0.08 -1.24 -4.98 116.55 103.80 1ivm n ASP 49 Ca 0.18 -3.43 -0.36 0.00 -1.51 0.00 0.00 54.79 49.67 1ivm n ASP 49 Cb 0.61 -0.55 0.01 0.00 2.34 0.00 0.00 41.12 43.54 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 -1.04 -0.50 -3.78 -0.67 -0.06 0.11 -4.93 117.38 106.51 1ivm n GLN 50 Ca 0.24 0.06 -0.13 0.00 -2.00 0.00 0.00 57.00 55.17 1ivm n GLN 50 Cb 0.85 -1.82 -0.10 0.00 -4.06 0.00 0.00 30.24 25.11 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1ivm s SER 51 N -3.62 -0.18 0.19 1.69 0.01 0.28 -4.81 113.70 107.26 1ivm s SER 51 Ca 0.34 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1ivm s SER 51 Cb -0.19 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 1ivm s SER 51 CO 0.79 -0.34 0.05 -0.89 0.41 0.00 0.00 173.24 173.27 1ivm s THR 52 N -0.94 0.43 -0.06 1.44 2.01 -1.26 0.81 115.64 118.07 1ivm s THR 52 Ca -0.10 -1.97 -0.02 0.00 0.31 0.00 0.00 61.69 59.90 1ivm s THR 52 Cb -0.05 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1ivm s THR 52 CO 0.03 -0.29 0.12 -1.81 -0.69 0.00 0.00 174.62 171.98 1ivm s ASP 53 N -3.18 0.29 -0.32 3.53 1.01 0.54 0.25 116.67 118.79 1ivm s ASP 53 Ca 0.29 0.25 -0.22 0.00 0.71 0.00 0.00 52.55 53.58 1ivm s ASP 53 Cb 0.07 0.15 -0.00 0.00 1.01 0.00 0.00 42.92 44.15 1ivm s ASP 53 CO 0.07 -0.18 0.73 -0.31 0.21 0.00 0.00 175.17 175.69 1ivm s TYR 54 N 1.59 3.18 0.09 4.23 2.02 0.83 0.60 117.35 129.89 1ivm s TYR 54 Ca -0.04 0.66 -0.22 0.00 -0.37 0.00 0.00 57.07 57.10 1ivm s TYR 54 Cb -0.12 -3.19 -0.13 0.00 -0.40 0.00 0.00 41.96 38.12 1ivm s TYR 54 CO -0.05 -0.58 1.73 0.78 -1.57 0.00 0.00 175.55 175.86 1ivm h GLY 55 N 9.43 0.07 -0.35 0.71 0.00 0.20 3.80 103.07 116.93 1ivm h GLY 55 Ca -0.25 -0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.18 1ivm h GLY 55 CO 0.86 0.03 0.14 4.51 0.00 0.00 0.00 176.54 182.08 1ivm n ILE 56 N -5.05 -0.15 -2.27 2.60 0.13 -1.22 -0.08 119.36 113.32 1ivm n ILE 56 Ca -0.06 0.73 -0.00 0.00 -1.10 0.00 0.00 62.75 62.31 1ivm n ILE 56 Cb 0.04 -1.14 -0.02 0.00 -0.84 0.00 0.00 39.64 37.68 1ivm n ILE 56 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1ivm n PHE 57 N -3.94 0.00 -4.06 9.51 3.01 -1.02 -3.82 117.46 117.13 1ivm n PHE 57 Ca 0.12 -0.46 -0.31 0.00 1.01 0.00 0.00 57.45 57.81 1ivm n PHE 57 Cb 0.40 0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.27 -0.75 -3.90 -1.08 -0.06 1.21 -4.88 117.38 108.19 1ivm n GLN 58 Ca -0.07 0.04 -0.36 0.00 -2.00 0.00 0.00 57.00 54.62 1ivm n GLN 58 Cb 0.94 -2.74 -0.08 0.00 -4.06 0.00 0.00 30.24 24.30 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 -4.06 5.22 0.01 1.69 1.01 0.16 -4.77 121.20 120.46 1ivm s ILE 59 Ca 0.13 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 1ivm s ILE 59 Cb -0.07 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1ivm s ILE 59 CO 0.86 0.52 1.09 0.20 0.00 0.00 0.00 174.94 177.61 1ivm s ASN 60 N -0.24 7.21 0.00 3.58 -0.87 -1.26 0.29 114.94 123.65 1ivm s ASN 60 Ca 0.10 1.80 0.21 0.00 -1.57 0.00 0.00 52.86 53.40 1ivm s ASN 60 Cb -0.12 -2.57 0.71 0.00 -0.02 0.00 0.00 41.25 39.25 1ivm s ASN 60 CO 0.01 -0.40 1.53 -0.24 -2.57 0.00 0.00 177.10 175.43 1ivm n SER 61 N 4.17 1.86 0.03 -1.22 2.88 0.70 -2.05 113.62 119.99 1ivm n SER 61 Ca 0.08 -1.74 -0.02 0.00 -1.33 0.00 0.00 58.87 55.86 1ivm n SER 61 Cb 0.48 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 1ivm n SER 61 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1ivm h ARG 62 N 2.47 0.00 0.00 -1.46 0.11 -1.85 -3.39 114.38 110.26 1ivm h ARG 62 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 1ivm h ARG 62 Cb 0.54 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.59 1ivm h ARG 62 CO 0.00 0.42 -1.56 0.98 0.10 0.00 0.00 179.97 179.91 1ivm n TYR 63 N -3.00 0.00 -4.17 4.08 4.19 -1.24 -3.15 117.16 113.87 1ivm n TYR 63 Ca -0.09 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.84 1ivm n TYR 63 Cb 0.89 -0.40 -0.08 0.00 0.49 0.00 0.00 39.34 40.25 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 1ivm s TRP 64 N -2.20 2.91 0.54 2.98 0.51 -0.87 -0.42 118.94 122.39 1ivm s TRP 64 Ca -0.06 -0.09 0.00 0.00 -2.12 0.00 0.00 56.10 53.83 1ivm s TRP 64 Cb 0.03 -1.44 0.00 0.00 -0.81 0.00 0.00 33.47 31.24 1ivm s TRP 64 CO 0.31 0.50 0.00 0.00 -0.51 0.00 0.00 176.95 177.25 1ivm n ASN 66 N -1.42 0.00 0.00 0.00 5.15 -0.80 -3.85 115.26 114.34 1ivm n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 66 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 0.00 0.00 0.00 1.20 -0.08 -1.26 -4.60 116.55 111.80 1ivm n ASP 67 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ivm n ASP 67 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 0.78 1.27 0.27 0.00 -1.26 -4.47 105.19 101.78 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 1.17 0.00 0.00 0.00 173.32 174.49 1ivm n LYS 69 N -2.15 0.00 -3.58 1.61 4.81 -1.26 -5.02 118.16 112.57 1ivm n LYS 69 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1ivm n LYS 69 Cb 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 35.03 34.74 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1ivm s THR 70 N -1.71 4.26 -0.65 3.15 2.01 -1.26 -4.97 115.64 116.47 1ivm s THR 70 Ca 0.00 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 60.44 1ivm s THR 70 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 1ivm s THR 70 CO 0.00 -0.59 2.66 -0.81 -0.69 0.00 0.00 174.62 175.20 1ivm n PRO 71 N 4.93 2.19 0.02 4.92 -0.04 -1.26 -3.68 135.00 142.08 1ivm n PRO 71 Ca -0.10 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1ivm n PRO 71 Cb 0.42 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 3.31 0.00 -1.45 0.54 3.00 -1.26 -5.05 116.66 115.76 1ivm n ARG 72 Ca 0.47 0.00 -0.49 0.00 -0.01 0.00 0.00 57.85 57.82 1ivm n ARG 72 Cb 0.42 -0.48 -0.04 0.00 0.00 0.00 0.00 32.46 32.37 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 73 N -3.21 -2.57 -2.13 7.54 0.00 -1.24 -4.79 120.51 114.11 1ivm n ALA 73 Ca 0.00 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 1ivm n ALA 73 Cb 0.26 -1.70 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 0.34 5.07 -1.42 0.00 3.14 -1.19 -4.82 118.33 119.45 1ivm n VAL 74 Ca 0.17 -4.45 -0.33 0.00 -2.96 0.00 0.00 64.34 56.77 1ivm n VAL 74 Cb 0.23 -2.12 -0.16 0.00 -1.06 0.00 0.00 33.84 30.73 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 2.15 -0.22 0.05 6.55 6.94 -1.25 -4.44 115.26 125.03 1ivm n ASN 75 Ca 0.55 -0.04 0.12 0.00 -0.02 0.00 0.00 54.58 55.20 1ivm n ASN 75 Cb 0.28 -0.76 0.12 0.00 -2.36 0.00 0.00 39.78 37.05 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 8.54 3.03 0.03 -2.53 0.00 0.44 -3.64 120.51 126.38 1ivm n ALA 76 Ca 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 1ivm n ALA 76 Cb 0.06 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 1.40 -0.17 3.36 0.00 0.00 -1.24 -4.93 105.19 103.61 1ivm n GLY 78 Ca -0.10 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.22 0.07 -0.04 -0.61 -0.00 -1.26 -5.05 121.20 111.09 1ivm s ILE 79 Ca 0.15 -1.02 -0.30 0.00 -0.00 0.00 0.00 60.65 59.48 1ivm s ILE 79 Cb -0.02 -1.54 -0.03 0.00 -0.00 0.00 0.00 42.46 40.86 1ivm s ILE 79 CO 0.42 -0.32 1.14 0.20 -0.00 0.00 0.00 174.94 176.38 1ivm s ASN 80 N -2.89 7.13 0.25 4.36 0.01 -1.26 -1.91 114.94 120.63 1ivm s ASN 80 Ca 0.10 1.78 -0.03 0.00 -0.71 0.00 0.00 52.86 54.00 1ivm s ASN 80 Cb 0.02 -2.56 0.49 0.00 0.41 0.00 0.00 41.25 39.61 1ivm s ASN 80 CO -0.05 -0.50 1.72 0.00 -1.51 0.00 0.00 177.10 176.76 1ivm h SER 82 N 0.43 0.00 0.18 0.00 0.02 -1.91 0.85 113.55 113.12 1ivm h SER 82 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1ivm h SER 82 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1ivm h SER 82 CO -0.43 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.26 1ivm h ALA 83 N 1.60 1.00 -0.49 3.77 0.00 0.95 0.47 119.26 126.56 1ivm h ALA 83 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ivm h ALA 83 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 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 -2.36 4.15 -1.24 0.00 4.77 0.29 -4.21 117.00 118.40 1ivm n LEU 84 Ca -0.01 -2.47 0.04 0.00 -0.03 0.00 0.00 56.01 53.54 1ivm n LEU 84 Cb 0.09 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1ivm n LEU 84 CO 0.13 0.76 0.13 -0.11 -1.33 0.00 0.00 177.39 176.97 1ivm n LEU 85 N 0.61 1.10 0.00 2.23 7.94 0.16 -5.00 117.00 124.03 1ivm n LEU 85 Ca 0.21 -2.12 0.00 0.00 -1.11 0.00 0.00 56.01 53.00 1ivm n LEU 85 Cb 0.78 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.67 1ivm n LEU 85 CO 0.18 0.58 0.00 0.00 -1.11 0.00 0.00 177.39 177.04 1ivm n GLN 86 N 0.21 3.73 0.00 1.96 6.02 -1.08 -5.03 117.38 123.19 1ivm n GLN 86 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ivm n GLN 86 Cb 1.03 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.29 1ivm n GLN 86 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1ivm n ASP 87 N 0.00 0.00 -4.60 1.08 5.68 -1.26 -2.32 116.55 115.12 1ivm n ASP 87 Ca 0.00 0.15 -0.43 0.00 -0.50 0.00 0.00 54.79 54.02 1ivm n ASP 87 Cb 0.00 -0.34 -0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ivm n ASP 88 N -1.89 1.29 -1.08 -1.12 8.00 -1.26 0.15 116.55 120.64 1ivm n ASP 88 Ca 0.00 1.10 0.12 0.00 0.71 0.00 0.00 54.79 56.71 1ivm n ASP 88 Cb 0.00 -1.33 0.24 0.00 -0.02 0.00 0.00 41.12 40.01 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ivm n ILE 89 N -0.17 0.48 -0.42 0.53 -5.35 -1.26 -4.42 119.36 108.74 1ivm n ILE 89 Ca 0.09 -0.70 0.35 0.00 -0.27 0.00 0.00 62.75 62.22 1ivm n ILE 89 Cb 0.36 0.88 0.63 0.00 -1.74 0.00 0.00 39.64 39.77 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 4.17 0.17 -0.18 7.28 1.03 -1.92 1.67 112.91 125.12 1ivm h THR 90 Ca 0.00 -0.04 -0.15 0.00 -0.01 0.00 0.00 66.41 66.21 1ivm h THR 90 Cb 0.92 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 1ivm h THR 90 CO 0.00 0.02 -0.47 0.00 -0.01 0.00 0.00 175.52 175.06 1ivm h ALA 91 N 1.61 0.30 -0.94 0.00 0.00 -1.81 0.16 119.26 118.58 1ivm h ALA 91 Ca 0.79 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ivm h ALA 91 Cb 2.43 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 20.13 1ivm h ALA 91 CO -0.41 0.45 0.61 0.00 0.00 0.00 0.00 179.25 179.90 1ivm h ALA 92 N 0.57 1.19 0.00 0.00 0.00 0.20 0.60 119.26 121.82 1ivm h ALA 92 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ivm h ALA 92 Cb 1.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ivm h ALA 92 CO 0.10 0.61 -0.00 0.82 0.00 0.00 0.00 179.25 180.78 1ivm h ILE 93 N 1.28 1.41 -0.53 0.00 2.04 -0.37 0.47 117.51 121.80 1ivm h ILE 93 Ca 0.34 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 65.04 1ivm h ILE 93 Cb -0.13 2.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1ivm h ILE 93 CO -0.07 0.32 0.22 -0.61 0.00 0.00 0.00 178.15 178.01 1ivm h GLN 94 N -0.53 0.41 -0.42 2.37 4.15 -0.34 0.27 115.11 121.02 1ivm h GLN 94 Ca -0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1ivm h GLN 94 Cb 0.52 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1ivm h GLN 94 CO 0.00 0.27 -0.29 0.00 -1.93 0.00 0.00 178.83 176.88 1ivm h ALA 96 N 0.81 0.53 -0.21 0.00 0.00 0.11 1.59 119.26 122.09 1ivm h ALA 96 Ca 0.08 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ivm h ALA 96 Cb 0.87 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ivm h ALA 96 CO 0.08 -0.30 -0.27 1.57 0.00 0.00 0.00 179.25 180.33 1ivm h LYS 97 N 0.25 0.55 0.00 0.00 2.10 -0.36 0.12 116.57 119.23 1ivm h LYS 97 Ca 0.23 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1ivm h LYS 97 Cb 0.29 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ivm h LYS 97 CO -0.29 0.91 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.92 1ivm h ARG 98 N 0.23 0.00 0.00 0.07 9.65 0.35 0.49 114.38 125.17 1ivm h ARG 98 Ca 0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1ivm h ARG 98 Cb 0.84 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.42 1ivm h ARG 98 CO 0.06 0.06 -0.25 0.28 2.80 0.00 0.00 179.97 182.92 1ivm h VAL 99 N 0.00 0.17 -0.27 0.20 2.07 0.26 -3.34 116.25 115.34 1ivm h VAL 99 Ca -0.00 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.44 1ivm h VAL 99 Cb 0.22 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ivm h VAL 99 CO 0.01 0.06 0.20 1.62 0.02 0.00 0.00 177.57 179.47 1ivm h VAL 100 N -1.00 0.83 -0.23 2.57 3.04 -0.65 0.17 116.25 120.98 1ivm h VAL 100 Ca -0.02 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.74 1ivm h VAL 100 Cb 0.32 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1ivm h VAL 100 CO -0.01 0.00 0.33 0.03 -1.01 0.00 0.00 177.57 176.91 1ivm h ARG 101 N 0.00 0.00 -7.49 4.17 3.08 -0.13 -3.32 114.38 110.68 1ivm h ARG 101 Ca 0.13 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.76 1ivm h ARG 101 Cb 0.52 0.00 0.19 0.00 0.08 0.00 0.00 29.97 30.76 1ivm h ARG 101 CO -0.00 0.00 0.20 -0.51 -1.07 0.00 0.00 179.97 178.58 1ivm s ASP 102 N -5.22 1.31 0.00 7.04 1.11 0.59 -4.89 116.67 116.61 1ivm s ASP 102 Ca -0.04 0.52 0.21 0.00 0.18 0.00 0.00 52.55 53.41 1ivm s ASP 102 Cb 0.14 -0.69 1.23 0.00 1.07 0.00 0.00 42.92 44.67 1ivm s ASP 102 CO 0.48 -3.87 1.65 -0.81 1.18 0.00 0.00 175.17 173.80 1ivm n PRO 103 N -4.57 0.75 0.25 8.23 -0.04 -1.26 -3.58 135.00 134.78 1ivm n PRO 103 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1ivm n PRO 103 Cb 0.60 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.66 -0.05 0.54 1.08 -1.84 -3.50 115.11 110.68 1ivm h GLN 104 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1ivm h GLN 104 Cb 0.00 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ivm h GLN 104 CO 0.00 -0.44 -0.02 0.41 -0.95 0.00 0.00 178.83 177.83 1ivm n GLY 105 N -0.11 -2.45 0.65 3.46 0.00 -1.23 -4.16 105.19 101.34 1ivm n GLY 105 Ca -0.09 -1.46 0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.02 0.04 -1.12 -0.61 1.08 -1.95 0.51 117.51 115.45 1ivm h ILE 106 Ca -0.00 0.00 0.43 0.00 -0.39 0.00 0.00 64.86 64.90 1ivm h ILE 106 Cb 0.02 0.05 -0.16 0.00 -3.07 0.00 0.00 36.82 33.65 1ivm h ILE 106 CO 0.00 0.00 0.65 -0.09 -0.69 0.00 0.00 178.15 178.03 1ivm h ARG 107 N 0.00 0.03 -1.11 2.37 2.43 -1.99 1.34 114.38 117.45 1ivm h ARG 107 Ca 0.79 -0.00 0.39 0.00 -0.81 0.00 0.00 59.98 60.35 1ivm h ARG 107 Cb 3.43 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 32.82 1ivm h ARG 107 CO -0.01 0.02 0.66 0.00 -1.51 0.00 0.00 179.97 179.13 1ivm h ALA 108 N 1.86 2.29 -0.67 2.80 0.00 -0.14 1.30 119.26 126.70 1ivm h ALA 108 Ca 0.85 0.18 -0.58 0.00 0.00 0.00 0.00 54.91 55.36 1ivm h ALA 108 Cb 2.39 0.22 -0.20 0.00 0.00 0.00 0.00 17.79 20.19 1ivm h ALA 108 CO -0.66 -0.95 0.60 0.91 0.00 0.00 0.00 179.25 179.15 1ivm n TRP 109 N -4.97 1.99 -0.35 0.00 8.01 0.46 -4.71 117.44 117.87 1ivm n TRP 109 Ca 0.35 -2.06 0.29 0.00 -1.31 0.00 0.00 57.50 54.78 1ivm n TRP 109 Cb 1.22 -1.33 0.50 0.00 -2.01 0.00 0.00 31.31 29.68 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 0.49 -0.19 -0.31 -0.99 3.14 0.44 0.14 118.33 121.05 1ivm n VAL 110 Ca 0.50 1.32 -0.07 0.00 -2.96 0.00 0.00 64.34 63.13 1ivm n VAL 110 Cb 0.46 -2.17 -0.04 0.00 -1.06 0.00 0.00 33.84 31.03 1ivm n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ivm h ALA 111 N 1.17 -0.29 0.08 1.55 0.00 -1.84 0.28 119.26 120.21 1ivm h ALA 111 Ca 0.65 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.73 1ivm h ALA 111 Cb 2.08 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 20.93 1ivm h ALA 111 CO -0.34 -0.83 -0.40 2.35 0.00 0.00 0.00 179.25 180.03 1ivm h TRP 112 N -0.11 -1.11 -0.01 0.00 7.01 0.78 0.68 115.95 123.19 1ivm h TRP 112 Ca 0.21 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.25 1ivm h TRP 112 Cb 0.53 0.48 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1ivm h TRP 112 CO -0.85 -0.49 0.70 -0.09 -2.79 0.00 0.00 178.44 174.92 1ivm h ARG 113 N -0.60 0.00 -0.41 2.65 2.43 -0.57 1.68 114.38 119.56 1ivm h ARG 113 Ca 0.03 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.90 1ivm h ARG 113 Cb 0.65 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.84 1ivm h ARG 113 CO -0.26 0.00 -0.93 0.00 -1.51 0.00 0.00 179.97 177.28 1ivm n ALA 114 N -1.69 3.49 0.04 2.80 0.00 0.18 -4.46 120.51 120.88 1ivm n ALA 114 Ca -0.01 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1ivm n ALA 114 Cb 0.72 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.53 -1.94 -0.10 0.00 -0.00 0.52 -4.92 115.22 108.25 1ivm n HIS 115 Ca 0.21 0.23 -0.20 0.00 0.46 0.00 0.00 57.72 58.42 1ivm n HIS 115 Cb 0.90 0.93 -0.12 0.00 -0.12 0.00 0.00 29.99 31.58 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 -4.47 1.46 0.05 0.00 1.13 -0.96 -2.75 117.38 111.84 1ivm n GLN 117 Ca -0.28 -1.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.70 1ivm n GLN 117 Cb 0.64 -2.23 0.00 0.00 0.11 0.00 0.00 30.24 28.76 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ivm n ASN 118 N 4.09 -0.34 -1.97 1.08 2.85 -1.26 -4.77 115.26 114.94 1ivm n ASN 118 Ca 0.31 0.16 -0.05 0.00 -0.11 0.00 0.00 54.58 54.90 1ivm n ASN 118 Cb 0.15 0.46 -0.01 0.00 1.24 0.00 0.00 39.78 41.62 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 -2.76 0.98 -3.09 1.20 0.63 -1.11 -5.10 116.66 107.42 1ivm n ARG 119 Ca 0.00 -0.62 -0.44 0.00 -0.92 0.00 0.00 57.85 55.86 1ivm n ARG 119 Cb 0.00 0.32 -0.05 0.00 0.45 0.00 0.00 32.46 33.18 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 -1.45 6.19 -0.26 6.15 2.15 -1.26 -4.85 116.67 123.33 1ivm s ASP 120 Ca 0.03 -1.34 0.13 0.00 0.43 0.00 0.00 52.55 51.80 1ivm s ASP 120 Cb 0.00 -2.31 0.71 0.00 -0.30 0.00 0.00 42.92 41.01 1ivm s ASP 120 CO 0.02 -1.13 1.68 -0.11 -0.17 0.00 0.00 175.17 175.46 1ivm n LEU 121 N 6.47 5.34 0.20 -1.34 7.94 -1.26 -4.36 117.00 129.98 1ivm n LEU 121 Ca -0.09 -3.13 0.08 0.00 -1.11 0.00 0.00 56.01 51.77 1ivm n LEU 121 Cb 0.43 -0.67 0.36 0.00 0.53 0.00 0.00 43.42 44.07 1ivm n LEU 121 CO 0.59 0.75 0.73 0.28 -1.11 0.00 0.00 177.39 178.62 1ivm h SER 122 N 2.76 0.00 0.46 1.96 0.02 -1.92 -2.53 113.55 114.31 1ivm h SER 122 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ivm h SER 122 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1ivm h SER 122 CO 0.52 0.30 0.00 1.67 -1.14 0.00 0.00 176.83 178.17 1ivm n GLN 123 N -3.40 0.07 0.09 3.45 7.27 -1.26 -0.44 117.38 123.17 1ivm n GLN 123 Ca 0.00 0.37 -0.06 0.00 0.07 0.00 0.00 57.00 57.38 1ivm n GLN 123 Cb 0.49 -1.66 0.02 0.00 2.41 0.00 0.00 30.24 31.51 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 0.15 0.00 3.69 3.20 -1.79 -3.30 116.97 118.92 1ivm h TYR 124 Ca 0.00 -0.08 -0.36 0.00 3.14 0.00 0.00 58.73 61.43 1ivm h TYR 124 Cb 0.23 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1ivm h TYR 124 CO 0.00 0.87 -2.34 0.44 -1.64 0.00 0.00 178.16 175.49 1ivm n ILE 125 N -3.64 1.35 -2.57 1.81 -5.35 -0.78 -4.66 119.36 105.51 1ivm n ILE 125 Ca -0.02 -0.81 -0.42 0.00 -0.27 0.00 0.00 62.75 61.22 1ivm n ILE 125 Cb 0.77 -0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 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 -2.47 4.39 -0.42 6.28 3.00 0.42 -2.76 118.95 127.39 1ivm s ARG 126 Ca -0.11 1.53 0.00 0.00 -1.00 0.00 0.00 55.73 56.15 1ivm s ARG 126 Cb 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 34.95 31.47 1ivm s ARG 126 CO 0.79 -0.37 0.00 -1.71 0.00 0.00 0.00 175.30 174.01 1ivm n ASN 127 N 5.04 -2.83 0.07 -2.12 2.85 -1.26 -4.72 115.26 112.29 1ivm n ASN 127 Ca 0.10 0.06 -0.15 0.00 -0.11 0.00 0.00 54.58 54.48 1ivm n ASN 127 Cb 0.48 -1.41 -0.14 0.00 1.24 0.00 0.00 39.78 39.94 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ivm n GLY 129 N 1.58 1.46 0.44 0.00 0.00 -1.26 -4.86 105.19 102.55 1ivm n GLY 129 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70