#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 1.90 -0.27 -0.18 1.01 -1.26 0.19 120.40 121.78 1ivm s VAL 2 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1ivm s VAL 2 Cb 0.00 -1.59 0.16 0.00 0.00 0.00 0.00 36.38 34.96 1ivm s VAL 2 CO 0.00 0.53 0.48 -0.31 0.00 0.00 0.00 175.10 175.80 1ivm s TYR 3 N -0.37 -1.23 0.52 5.22 1.51 0.59 -4.92 117.35 118.68 1ivm s TYR 3 Ca 0.04 1.09 0.08 0.00 -1.01 0.00 0.00 57.07 57.27 1ivm s TYR 3 Cb -0.11 0.21 0.05 0.00 -0.11 0.00 0.00 41.96 42.01 1ivm s TYR 3 CO 0.01 -0.85 0.65 -1.83 -1.11 0.00 0.00 175.55 172.41 1ivm s GLU 4 N 2.68 2.43 0.24 -0.62 -1.05 -1.26 0.22 118.70 121.34 1ivm s GLU 4 Ca 0.15 -1.61 -0.09 0.00 -0.15 0.00 0.00 54.97 53.27 1ivm s GLU 4 Cb -0.14 -2.56 0.40 0.00 -0.44 0.00 0.00 34.13 31.39 1ivm s GLU 4 CO -0.21 -0.64 1.61 0.07 0.95 0.00 0.00 175.26 177.05 1ivm h ARG 5 N 0.44 0.04 0.00 -4.83 -0.00 -1.96 0.55 114.38 108.62 1ivm h ARG 5 Ca -0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1ivm h ARG 5 Cb 1.29 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1ivm h ARG 5 CO 0.46 0.03 0.00 0.00 -0.00 0.00 0.00 179.97 180.46 1ivm n GLU 7 N -1.15 -0.16 -0.20 0.00 -0.58 -0.97 0.52 120.64 118.10 1ivm n GLU 7 Ca 0.00 1.02 -0.02 0.00 -0.42 0.00 0.00 57.16 57.74 1ivm n GLU 7 Cb 0.00 -1.51 0.05 0.00 -0.57 0.00 0.00 31.44 29.41 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ivm h PHE 8 N 0.00 -0.47 -0.31 -0.32 3.57 0.05 0.40 116.94 119.87 1ivm h PHE 8 Ca 0.06 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1ivm h PHE 8 Cb 0.15 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 1ivm h PHE 8 CO -0.82 -0.30 -0.11 0.00 -2.23 0.00 0.00 178.31 174.85 1ivm h ALA 9 N 1.47 0.16 0.46 2.41 0.00 0.50 0.68 119.26 124.93 1ivm h ALA 9 Ca 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ivm h ALA 9 Cb 0.48 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ivm h ALA 9 CO -0.64 -0.50 -0.34 -0.09 0.00 0.00 0.00 179.25 177.67 1ivm h ARG 10 N -0.05 -0.76 0.01 0.00 2.43 0.24 0.13 114.38 116.39 1ivm h ARG 10 Ca 0.16 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1ivm h ARG 10 Cb 0.29 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1ivm h ARG 10 CO -0.35 -0.51 -0.36 1.15 -1.51 0.00 0.00 179.97 178.39 1ivm h THR 11 N -0.79 0.25 -0.32 0.20 2.02 0.20 1.21 112.91 115.68 1ivm h THR 11 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 1ivm h THR 11 Cb 0.67 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.24 1ivm h THR 11 CO 0.01 0.00 -0.35 0.25 0.37 0.00 0.00 175.52 175.79 1ivm h LEU 12 N -0.52 -1.15 -2.10 2.58 5.85 0.50 1.97 115.31 122.44 1ivm h LEU 12 Ca 0.05 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1ivm h LEU 12 Cb 0.60 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1ivm h LEU 12 CO -0.28 -0.35 -0.07 0.50 -0.34 0.00 0.00 178.44 177.90 1ivm h LYS 13 N -0.32 0.00 0.00 1.25 3.11 -0.11 0.90 116.57 121.40 1ivm h LYS 13 Ca 0.14 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.90 1ivm h LYS 13 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1ivm h LYS 13 CO -0.50 0.07 -0.47 -0.09 -2.81 0.00 0.00 179.45 175.66 1ivm h ARG 14 N 0.00 0.00 0.10 1.90 9.65 0.81 -3.31 114.38 123.53 1ivm h ARG 14 Ca -0.00 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 1ivm h ARG 14 Cb 0.18 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1ivm h ARG 14 CO 0.01 0.35 -1.76 -0.97 2.80 0.00 0.00 179.97 180.40 1ivm h ASN 15 N 0.00 0.34 0.00 -3.80 -0.73 0.50 -3.50 115.58 108.39 1ivm h ASN 15 Ca -0.01 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.31 1ivm h ASN 15 Cb 1.30 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.78 1ivm h ASN 15 CO 0.05 1.75 0.00 0.61 -0.37 0.00 0.00 177.43 179.47 1ivm n GLY 16 N 1.84 0.60 0.00 1.57 0.00 0.29 -5.05 105.19 104.44 1ivm n GLY 16 Ca -0.31 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.09 -1.75 1.61 2.81 -1.09 -5.00 117.12 113.79 1ivm n MET 17 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1ivm n MET 17 Cb 0.00 -0.92 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.33 2.28 -0.79 3.04 0.00 -1.26 -1.88 120.51 119.57 1ivm n ALA 18 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1ivm n ALA 18 Cb 0.42 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 1.41 0.52 2.96 0.00 0.00 -1.15 -4.75 105.19 104.19 1ivm n GLY 19 Ca 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.79 -2.39 -0.20 1.61 9.36 -0.42 -4.63 117.16 117.70 1ivm n TYR 20 Ca 0.00 0.02 0.10 0.00 3.32 0.00 0.00 57.90 61.34 1ivm n TYR 20 Cb 0.00 -1.37 0.20 0.00 -0.63 0.00 0.00 39.34 37.54 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 -4.28 0.42 0.05 2.98 4.01 -1.26 -4.09 117.16 114.99 1ivm n TYR 21 Ca 0.06 0.70 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 1ivm n TYR 21 Cb 0.28 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ivm n GLY 22 N -1.27 -0.18 3.43 2.72 0.00 -1.26 -5.05 105.19 103.58 1ivm n GLY 22 Ca 0.15 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.89 0.06 -2.88 1.61 0.24 -1.26 -4.85 118.33 108.37 1ivm n VAL 23 Ca 0.00 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.34 62.00 1ivm n VAL 23 Cb 0.00 -0.76 0.01 0.00 -1.47 0.00 0.00 33.84 31.61 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ivm s SER 24 N 5.38 5.97 0.28 -1.34 0.15 -1.26 -1.30 113.70 121.57 1ivm s SER 24 Ca 1.13 0.53 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1ivm s SER 24 Cb -1.35 -1.81 0.65 0.00 -1.71 0.00 0.00 66.02 61.80 1ivm s SER 24 CO 0.66 -0.66 1.65 0.25 1.20 0.00 0.00 173.24 176.34 1ivm h LEU 25 N 0.33 -0.03 -0.71 3.45 5.85 -1.90 0.99 115.31 123.28 1ivm h LEU 25 Ca -0.47 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ivm h LEU 25 Cb 1.24 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1ivm h LEU 25 CO 0.60 -0.14 0.47 0.00 -0.34 0.00 0.00 178.44 179.03 1ivm h ALA 26 N 1.75 0.91 -0.67 1.25 0.00 -1.93 0.29 119.26 120.86 1ivm h ALA 26 Ca 0.52 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1ivm h ALA 26 Cb 1.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1ivm h ALA 26 CO -0.64 0.32 0.25 -0.44 0.00 0.00 0.00 179.25 178.74 1ivm h ASP 27 N 0.96 0.91 0.53 0.00 5.19 0.43 0.19 116.42 124.62 1ivm h ASP 27 Ca 0.26 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1ivm h ASP 27 Cb -0.10 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.18 1ivm h ASP 27 CO -0.06 0.82 -0.25 -0.50 -3.12 0.00 0.00 179.24 176.12 1ivm h TRP 28 N 0.96 -0.66 -0.57 4.55 4.06 0.86 0.15 115.95 125.31 1ivm h TRP 28 Ca 0.22 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.25 1ivm h TRP 28 Cb 0.21 0.22 -0.11 0.00 -1.00 0.00 0.00 29.16 28.47 1ivm h TRP 28 CO 0.02 -0.41 -0.39 0.28 -3.56 0.00 0.00 178.44 174.38 1ivm h VAL 29 N -0.88 0.12 -0.03 1.49 2.07 -0.39 1.48 116.25 120.12 1ivm h VAL 29 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ivm h VAL 29 Cb 0.54 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1ivm h VAL 29 CO 0.12 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 177.17 1ivm h LEU 31 N -0.65 0.63 -1.37 0.00 6.46 0.12 0.96 115.31 121.45 1ivm h LEU 31 Ca 0.02 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1ivm h LEU 31 Cb 0.71 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1ivm h LEU 31 CO -0.38 0.24 -0.31 0.00 -0.62 0.00 0.00 178.44 177.37 1ivm h ALA 32 N 1.60 1.39 0.11 1.25 0.00 0.47 -1.59 119.26 122.49 1ivm h ALA 32 Ca 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ivm h ALA 32 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ivm h ALA 32 CO -0.38 0.39 -0.05 0.37 0.00 0.00 0.00 179.25 179.58 1ivm h GLN 33 N 0.00 -0.14 -0.12 0.00 5.75 0.95 0.27 115.11 121.82 1ivm h GLN 33 Ca -0.00 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1ivm h GLN 33 Cb 0.59 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1ivm h GLN 33 CO 0.04 0.36 0.12 1.25 -2.65 0.00 0.00 178.83 177.95 1ivm h HIS 34 N -0.77 0.00 0.11 3.99 2.76 -0.37 -2.84 115.15 118.03 1ivm h HIS 34 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1ivm h HIS 34 CO 0.11 0.00 -0.05 0.93 -1.30 0.00 0.00 177.93 177.61 1ivm h GLU 35 N 0.00 -0.14 0.00 5.26 4.39 -1.20 -3.48 114.58 119.40 1ivm h GLU 35 Ca 0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ivm h GLU 35 Cb 0.30 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1ivm h GLU 35 CO -0.00 -0.10 0.00 0.43 -1.16 0.00 0.00 179.01 178.18 1ivm n SER 36 N -3.59 0.00 -3.88 1.42 7.64 -0.41 -4.91 113.62 109.89 1ivm n SER 36 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ivm n SER 36 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.00 0.00 6.43 4.05 0.82 -3.87 115.26 122.69 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1ivm n TYR 38 N -0.68 0.00 -4.22 1.20 4.01 0.59 -4.64 117.16 113.42 1ivm n TYR 38 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1ivm n TYR 38 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 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 5.06 -0.44 7.72 -0.87 -1.25 0.22 114.94 125.38 1ivm s ASN 39 Ca 0.00 -0.08 0.07 0.00 -1.57 0.00 0.00 52.86 51.27 1ivm s ASN 39 Cb 0.00 -1.27 0.41 0.00 -0.02 0.00 0.00 41.25 40.38 1ivm s ASN 39 CO 0.00 0.23 1.07 0.35 -2.57 0.00 0.00 177.10 176.18 1ivm n THR 40 N 1.04 2.24 0.05 1.60 -2.24 0.13 -4.67 114.28 112.43 1ivm n THR 40 Ca -0.13 -4.78 0.03 0.00 -2.27 0.00 0.00 64.05 56.90 1ivm n THR 40 Cb 0.52 -1.03 0.06 0.00 -2.10 0.00 0.00 70.33 67.78 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 -0.39 1.68 -1.54 -0.78 3.00 -1.26 -3.18 116.66 114.19 1ivm n ARG 41 Ca 0.34 -1.44 -0.24 0.00 -0.00 0.00 0.00 57.85 56.51 1ivm n ARG 41 Cb 0.65 -1.15 -0.10 0.00 0.00 0.00 0.00 32.46 31.87 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 0.21 0.59 -3.72 5.13 0.00 -1.26 -4.84 120.51 116.62 1ivm n ALA 42 Ca 0.06 -1.05 -0.18 0.00 0.00 0.00 0.00 53.44 52.26 1ivm n ALA 42 Cb 0.28 -3.00 -0.17 0.00 0.00 0.00 0.00 19.45 16.55 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 10.95 0.03 -0.36 0.00 -4.23 -1.26 0.14 115.64 120.91 1ivm s THR 43 Ca 1.06 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1ivm s THR 43 Cb -0.39 -0.20 0.16 0.00 1.34 0.00 0.00 72.50 73.41 1ivm s THR 43 CO 0.26 0.15 0.41 0.21 -0.54 0.00 0.00 174.62 175.12 1ivm s ASN 44 N 1.53 0.67 0.44 3.99 2.47 0.23 -4.94 114.94 119.32 1ivm s ASN 44 Ca -0.03 -1.24 -0.04 0.00 0.42 0.00 0.00 52.86 51.97 1ivm s ASN 44 Cb -0.13 0.85 -0.04 0.00 -1.45 0.00 0.00 41.25 40.48 1ivm s ASN 44 CO -0.03 -0.27 0.72 -0.72 -3.72 0.00 0.00 177.10 173.09 1ivm s TYR 45 N 1.71 3.54 -0.30 0.43 -0.85 -1.26 0.20 117.35 120.82 1ivm s TYR 45 Ca 0.15 0.73 -0.01 0.00 -0.52 0.00 0.00 57.07 57.42 1ivm s TYR 45 Cb -0.13 -2.22 0.19 0.00 0.38 0.00 0.00 41.96 40.18 1ivm s TYR 45 CO -0.10 -0.16 0.68 -0.80 -1.52 0.00 0.00 175.55 173.65 1ivm s ASN 46 N -3.96 -1.29 0.19 -0.18 -0.87 -0.72 -4.87 114.94 103.24 1ivm s ASN 46 Ca 0.46 0.56 0.06 0.00 -1.57 0.00 0.00 52.86 52.37 1ivm s ASN 46 Cb -0.10 1.98 0.07 0.00 -0.02 0.00 0.00 41.25 43.19 1ivm s ASN 46 CO 0.41 -0.24 1.44 -0.09 -2.57 0.00 0.00 177.10 176.05 1ivm h ARG 47 N 7.96 0.08 -0.83 -0.60 9.65 -1.95 0.19 114.38 128.88 1ivm h ARG 47 Ca -0.15 -0.08 0.30 0.00 -1.10 0.00 0.00 59.98 58.96 1ivm h ARG 47 Cb 1.17 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.67 1ivm h ARG 47 CO 0.16 0.84 0.51 0.41 2.80 0.00 0.00 179.97 184.70 1ivm n GLY 48 N 0.76 -0.54 2.00 2.80 0.00 -1.26 0.16 105.19 109.11 1ivm n GLY 48 Ca -0.02 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.16 1.56 -3.88 1.61 -0.08 -1.23 -4.99 116.55 105.38 1ivm n ASP 49 Ca 0.26 -2.29 -0.26 0.00 -1.51 0.00 0.00 54.79 51.00 1ivm n ASP 49 Cb 0.98 -0.39 -0.05 0.00 2.34 0.00 0.00 41.12 43.99 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 -0.15 -0.82 -3.69 -0.67 0.00 0.42 -4.89 117.38 107.57 1ivm n GLN 50 Ca 0.10 0.02 -0.19 0.00 -0.00 0.00 0.00 57.00 56.93 1ivm n GLN 50 Cb 0.96 -2.36 -0.18 0.00 0.00 0.00 0.00 30.24 28.67 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ivm s SER 51 N -4.00 0.94 -0.10 1.69 1.04 0.66 -4.35 113.70 109.59 1ivm s SER 51 Ca 0.09 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1ivm s SER 51 Cb -0.05 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1ivm s SER 51 CO 0.73 -0.23 -0.20 -0.89 0.98 0.00 0.00 173.24 173.64 1ivm s THR 52 N 1.95 2.48 -0.42 2.02 2.01 -1.26 -1.75 115.64 120.68 1ivm s THR 52 Ca 0.02 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1ivm s THR 52 Cb -0.12 -1.98 0.09 0.00 0.01 0.00 0.00 72.50 70.50 1ivm s THR 52 CO -0.03 0.55 0.24 -1.81 -0.69 0.00 0.00 174.62 172.88 1ivm s ASP 53 N 0.22 5.50 0.24 3.53 1.01 0.54 0.27 116.67 127.98 1ivm s ASP 53 Ca -0.12 -1.67 -0.14 0.00 0.71 0.00 0.00 52.55 51.32 1ivm s ASP 53 Cb -0.16 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.84 1ivm s ASP 53 CO 0.07 -0.54 0.51 -0.72 0.21 0.00 0.00 175.17 174.69 1ivm s TYR 54 N 1.34 0.23 0.00 4.23 1.13 0.70 0.74 117.35 125.71 1ivm s TYR 54 Ca 0.04 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 1ivm s TYR 54 Cb -0.23 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1ivm s TYR 54 CO -0.00 -1.00 0.00 0.41 -2.51 0.00 0.00 175.55 172.45 1ivm n GLY 55 N -0.38 3.07 0.48 5.49 0.00 0.12 0.86 105.19 114.83 1ivm n GLY 55 Ca -0.03 -1.71 0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 0.40 -0.75 -0.61 6.09 -1.90 1.53 117.51 122.27 1ivm h ILE 56 Ca 0.00 -0.06 -0.40 0.00 -1.37 0.00 0.00 64.86 63.03 1ivm h ILE 56 Cb 0.00 0.22 -0.24 0.00 0.47 0.00 0.00 36.82 37.27 1ivm h ILE 56 CO 0.00 0.03 0.35 0.49 -3.07 0.00 0.00 178.15 175.95 1ivm n PHE 57 N -4.42 2.32 -2.81 2.19 3.01 -1.26 -4.09 117.46 112.41 1ivm n PHE 57 Ca 0.28 -1.86 -0.27 0.00 1.01 0.00 0.00 57.45 56.60 1ivm n PHE 57 Cb 1.15 -0.80 0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.11 -1.33 -4.21 -1.08 -0.06 0.52 -4.92 117.38 105.20 1ivm n GLN 58 Ca 0.50 0.96 -0.34 0.00 -2.00 0.00 0.00 57.00 56.11 1ivm n GLN 58 Cb 1.34 -1.40 -0.08 0.00 -4.06 0.00 0.00 30.24 26.04 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 -1.13 4.57 0.11 1.69 1.01 0.25 -4.79 121.20 122.90 1ivm s ILE 59 Ca 0.25 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 1ivm s ILE 59 Cb -0.03 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 1ivm s ILE 59 CO 0.62 0.48 0.64 0.20 0.00 0.00 0.00 174.94 176.88 1ivm s ASN 60 N -1.31 7.17 0.00 3.58 -0.87 -1.25 -0.22 114.94 122.03 1ivm s ASN 60 Ca 0.18 1.39 0.25 0.00 -1.57 0.00 0.00 52.86 53.11 1ivm s ASN 60 Cb -0.12 -2.41 0.87 0.00 -0.02 0.00 0.00 41.25 39.58 1ivm s ASN 60 CO 0.08 0.24 1.63 -1.20 -2.57 0.00 0.00 177.10 175.29 1ivm n SER 61 N 1.62 1.70 -0.24 -1.22 7.64 0.76 -2.06 113.62 121.83 1ivm n SER 61 Ca -0.08 -1.62 0.13 0.00 1.01 0.00 0.00 58.87 58.31 1ivm n SER 61 Cb 0.50 -0.05 0.47 0.00 -1.01 0.00 0.00 64.21 64.12 1ivm n SER 61 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ivm n ARG 62 N 0.33 0.92 0.00 1.43 1.85 -1.26 -4.41 116.66 115.52 1ivm n ARG 62 Ca 0.18 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.54 1ivm n ARG 62 Cb 0.37 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 1ivm n ARG 62 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ivm n TYR 63 N -0.62 0.00 -4.10 2.89 4.01 -1.23 -3.83 117.16 114.28 1ivm n TYR 63 Ca 0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.66 1ivm n TYR 63 Cb 0.33 0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1ivm s TRP 64 N -1.59 2.88 0.58 -0.72 0.51 -0.87 0.78 118.94 120.51 1ivm s TRP 64 Ca 0.00 -0.23 0.00 0.00 -2.12 0.00 0.00 56.10 53.75 1ivm s TRP 64 Cb 0.00 -1.47 0.00 0.00 -0.81 0.00 0.00 33.47 31.19 1ivm s TRP 64 CO 0.00 0.44 0.00 0.00 -0.51 0.00 0.00 176.95 176.88 1ivm s ASN 66 N -4.77 4.14 0.24 0.00 2.20 0.67 -4.28 114.94 113.13 1ivm s ASN 66 Ca 0.00 -1.26 0.00 0.00 -0.94 0.00 0.00 52.86 50.66 1ivm s ASN 66 Cb 0.00 -0.37 0.00 0.00 -2.00 0.00 0.00 41.25 38.88 1ivm s ASN 66 CO 0.00 -0.52 0.00 -0.67 -2.94 0.00 0.00 177.10 172.97 1ivm n ASP 67 N -1.11 0.04 0.00 3.54 -0.08 -1.26 -1.38 116.55 116.29 1ivm n ASP 67 Ca -0.04 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1ivm n ASP 67 Cb 0.66 0.26 0.00 0.00 2.34 0.00 0.00 41.12 44.38 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 1.84 0.84 0.06 0.27 0.00 -1.26 -4.95 105.19 101.99 1ivm n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.29 0.37 -3.47 1.61 5.02 -1.26 -4.74 118.16 114.40 1ivm n LYS 69 Ca 0.00 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 1ivm n LYS 69 Cb 0.00 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.22 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 -3.24 -0.32 -0.83 -0.18 2.01 -1.26 -5.03 115.64 106.78 1ivm s THR 70 Ca 0.03 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1ivm s THR 70 Cb 0.13 -0.80 -0.11 0.00 0.01 0.00 0.00 72.50 71.73 1ivm s THR 70 CO 0.78 -0.34 2.60 -0.81 -0.69 0.00 0.00 174.62 176.16 1ivm n PRO 71 N 5.31 2.37 0.00 4.92 -0.04 -1.26 -3.30 135.00 143.01 1ivm n PRO 71 Ca -0.05 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1ivm n PRO 71 Cb 0.48 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 3.52 0.00 -0.98 0.54 3.00 -1.26 -5.10 116.66 116.38 1ivm n ARG 72 Ca 0.51 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 58.00 1ivm n ARG 72 Cb 0.34 -0.28 0.05 0.00 0.00 0.00 0.00 32.46 32.57 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 -2.34 -5.25 -2.72 5.13 0.00 -1.21 -4.90 120.51 109.22 1ivm n ALA 73 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 53.44 52.49 1ivm n ALA 73 Cb 0.12 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.64 2.29 -1.50 0.00 3.14 -1.25 -5.04 118.33 113.33 1ivm n VAL 74 Ca -0.01 -4.95 -0.40 0.00 -2.96 0.00 0.00 64.34 56.02 1ivm n VAL 74 Cb 0.56 -1.04 -0.15 0.00 -1.06 0.00 0.00 33.84 32.15 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 -0.30 0.20 0.01 6.55 6.94 -0.99 -4.49 115.26 123.19 1ivm n ASN 75 Ca 0.32 0.13 0.13 0.00 -0.02 0.00 0.00 54.58 55.14 1ivm n ASN 75 Cb 0.58 -0.90 0.43 0.00 -2.36 0.00 0.00 39.78 37.52 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 10.25 2.82 -0.02 -2.53 0.00 0.23 -3.47 120.51 127.79 1ivm n ALA 76 Ca 0.66 -0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.72 1ivm n ALA 76 Cb 0.04 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 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 1.95 -0.17 3.21 0.00 0.00 -1.23 -4.90 105.19 104.06 1ivm n GLY 78 Ca -0.31 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.23 0.07 0.12 -0.61 -0.00 -1.26 -4.97 121.20 111.33 1ivm s ILE 79 Ca 0.11 -0.58 -0.31 0.00 -0.00 0.00 0.00 60.65 59.87 1ivm s ILE 79 Cb -0.01 -0.66 -0.10 0.00 -0.00 0.00 0.00 42.46 41.68 1ivm s ILE 79 CO 0.45 -0.32 1.80 0.20 -0.00 0.00 0.00 174.94 177.06 1ivm s ASN 80 N -1.52 6.45 0.37 4.36 -0.87 -1.26 -0.24 114.94 122.23 1ivm s ASN 80 Ca -0.12 2.73 0.08 0.00 -1.57 0.00 0.00 52.86 53.98 1ivm s ASN 80 Cb -0.05 -2.57 0.81 0.00 -0.02 0.00 0.00 41.25 39.43 1ivm s ASN 80 CO 0.02 -0.98 1.94 0.00 -2.57 0.00 0.00 177.10 175.50 1ivm h SER 82 N 0.68 0.00 0.17 0.00 0.87 -1.88 0.75 113.55 114.14 1ivm h SER 82 Ca 0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1ivm h SER 82 Cb 0.43 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ivm h SER 82 CO -0.12 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.15 1ivm h ALA 83 N 1.56 1.25 -0.47 6.23 0.00 -0.58 0.45 119.26 127.70 1ivm h ALA 83 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ivm h ALA 83 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ivm h ALA 83 CO -0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ivm n LEU 84 N -3.48 3.11 -0.08 0.00 4.77 0.26 -3.79 117.00 117.80 1ivm n LEU 84 Ca -0.02 -1.45 0.10 0.00 -0.03 0.00 0.00 56.01 54.60 1ivm n LEU 84 Cb 0.13 -0.31 0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1ivm n LEU 84 CO 0.26 0.72 0.56 -0.11 -1.33 0.00 0.00 177.39 177.49 1ivm n LEU 85 N 1.23 2.30 0.00 2.23 0.00 0.16 -4.59 117.00 118.33 1ivm n LEU 85 Ca 0.19 -3.02 0.00 0.00 0.00 0.00 0.00 56.01 53.18 1ivm n LEU 85 Cb 0.52 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1ivm n LEU 85 CO 0.15 0.70 0.00 0.00 0.00 0.00 0.00 177.39 178.23 1ivm n GLN 86 N -1.39 2.59 0.00 1.96 6.02 -1.09 -5.05 117.38 120.42 1ivm n GLN 86 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1ivm n GLN 86 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 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 -0.51 0.00 -4.55 1.08 5.68 -1.26 -4.79 116.55 112.21 1ivm n ASP 87 Ca 0.00 0.20 -0.36 0.00 -0.50 0.00 0.00 54.79 54.13 1ivm n ASP 87 Cb 0.00 -0.42 0.08 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 -2.07 -0.32 -1.14 -1.12 9.92 -1.26 -4.80 116.55 115.76 1ivm n ASP 88 Ca 0.00 0.62 0.12 0.00 -0.53 0.00 0.00 54.79 55.00 1ivm n ASP 88 Cb 0.00 -1.32 0.24 0.00 -0.64 0.00 0.00 41.12 39.40 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ivm n ILE 89 N -2.51 0.54 -0.48 0.53 -5.35 -1.26 -4.42 119.36 106.41 1ivm n ILE 89 Ca 0.12 -0.74 0.40 0.00 -0.27 0.00 0.00 62.75 62.25 1ivm n ILE 89 Cb 0.50 0.88 0.72 0.00 -1.74 0.00 0.00 39.64 39.99 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 4.30 0.22 -0.03 7.28 1.03 -1.92 1.62 112.91 125.40 1ivm h THR 90 Ca 0.00 -0.02 -0.19 0.00 -0.01 0.00 0.00 66.41 66.18 1ivm h THR 90 Cb 0.95 0.14 0.01 0.00 -1.07 0.00 0.00 68.15 68.19 1ivm h THR 90 CO 0.00 0.01 -0.74 0.00 -0.01 0.00 0.00 175.52 174.78 1ivm h ALA 91 N 1.37 0.13 -0.73 0.00 0.00 -1.80 0.17 119.26 118.40 1ivm h ALA 91 Ca 0.76 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ivm h ALA 91 Cb 2.73 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.52 1ivm h ALA 91 CO -0.16 0.49 0.34 0.00 0.00 0.00 0.00 179.25 179.92 1ivm h ALA 92 N 0.39 1.23 0.07 0.00 0.00 0.19 0.71 119.26 121.86 1ivm h ALA 92 Ca -0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ivm h ALA 92 Cb 1.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ivm h ALA 92 CO 0.15 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.77 1ivm h ILE 93 N 1.04 1.21 -0.79 0.00 2.04 -0.34 0.43 117.51 121.10 1ivm h ILE 93 Ca 0.25 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.81 1ivm h ILE 93 Cb 0.12 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1ivm h ILE 93 CO -0.03 0.32 0.46 -0.61 0.00 0.00 0.00 178.15 178.29 1ivm h GLN 94 N -0.76 0.79 -0.02 2.37 5.75 -0.46 0.23 115.11 123.00 1ivm h GLN 94 Ca -0.01 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1ivm h GLN 94 Cb 0.60 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1ivm h GLN 94 CO 0.02 0.53 -0.03 0.00 -2.65 0.00 0.00 178.83 176.69 1ivm h ALA 96 N 0.49 1.04 -0.14 0.00 0.00 0.49 1.27 119.26 122.40 1ivm h ALA 96 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ivm h ALA 96 Cb 0.57 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ivm h ALA 96 CO 0.01 -0.37 -0.35 1.57 0.00 0.00 0.00 179.25 180.10 1ivm h LYS 97 N 0.25 0.49 -0.00 0.00 2.10 -0.50 0.11 116.57 119.01 1ivm h LYS 97 Ca 0.46 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1ivm h LYS 97 Cb 0.82 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1ivm h LYS 97 CO -0.56 0.95 0.00 -0.09 -2.00 0.00 0.00 179.45 177.75 1ivm h ARG 98 N 0.10 0.00 0.00 0.07 9.65 0.23 0.53 114.38 124.96 1ivm h ARG 98 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1ivm h ARG 98 Cb 0.96 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1ivm h ARG 98 CO 0.08 0.00 -0.54 0.28 2.80 0.00 0.00 179.97 182.58 1ivm h VAL 99 N 0.00 0.56 -0.29 0.20 2.07 0.17 -3.34 116.25 115.62 1ivm h VAL 99 Ca 0.00 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.04 1ivm h VAL 99 Cb 0.01 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ivm h VAL 99 CO -0.00 0.19 0.26 0.58 0.02 0.00 0.00 177.57 178.61 1ivm h VAL 100 N -1.00 0.61 0.00 2.57 2.07 -0.46 0.14 116.25 120.17 1ivm h VAL 100 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 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 0.39 -0.09 0.02 0.00 0.00 177.57 177.83 1ivm h ARG 101 N 0.00 0.00 -7.78 1.57 2.43 -0.05 -3.35 114.38 107.20 1ivm h ARG 101 Ca 0.14 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.86 1ivm h ARG 101 Cb 0.65 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 30.35 1ivm h ARG 101 CO -0.00 0.00 0.42 -0.51 -1.51 0.00 0.00 179.97 178.36 1ivm s ASP 102 N -4.25 3.37 0.00 -3.80 1.11 0.48 -4.93 116.67 108.66 1ivm s ASP 102 Ca -0.03 0.34 0.23 0.00 0.18 0.00 0.00 52.55 53.27 1ivm s ASP 102 Cb 0.08 -0.46 1.38 0.00 1.07 0.00 0.00 42.92 44.99 1ivm s ASP 102 CO 0.24 -2.58 1.76 -0.81 1.18 0.00 0.00 175.17 174.97 1ivm n PRO 103 N -3.67 0.75 0.18 8.23 -0.04 -1.26 -3.62 135.00 135.56 1ivm n PRO 103 Ca 0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1ivm n PRO 103 Cb 0.60 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.48 -0.07 0.54 1.08 -1.86 -3.50 115.11 110.82 1ivm h GLN 104 Ca 0.00 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1ivm h GLN 104 Cb 0.00 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1ivm h GLN 104 CO 0.00 -0.32 -0.03 0.41 -0.95 0.00 0.00 178.83 177.95 1ivm n GLY 105 N 0.07 -2.58 0.59 3.46 0.00 -1.24 -4.21 105.19 101.28 1ivm n GLY 105 Ca -0.06 -1.45 0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 0.12 -1.31 -0.61 1.08 -1.95 0.39 117.51 115.20 1ivm h ILE 106 Ca -0.00 0.00 0.46 0.00 -0.39 0.00 0.00 64.86 64.92 1ivm h ILE 106 Cb 0.03 0.15 -0.14 0.00 -3.07 0.00 0.00 36.82 33.78 1ivm h ILE 106 CO 0.00 0.00 0.82 -0.09 -0.69 0.00 0.00 178.15 178.20 1ivm h ARG 107 N 0.00 0.03 -1.30 2.37 9.65 -1.99 1.27 114.38 124.41 1ivm h ARG 107 Ca 0.65 -0.00 0.42 0.00 -1.10 0.00 0.00 59.98 59.95 1ivm h ARG 107 Cb 2.96 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 31.41 1ivm h ARG 107 CO -0.01 0.02 0.84 0.00 2.80 0.00 0.00 179.97 183.62 1ivm h ALA 108 N 1.67 2.71 -1.12 2.80 0.00 -0.40 -0.34 119.26 124.57 1ivm h ALA 108 Ca 0.86 0.11 -0.77 0.00 0.00 0.00 0.00 54.91 55.11 1ivm h ALA 108 Cb 2.67 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 20.46 1ivm h ALA 108 CO -0.50 -1.31 1.75 0.91 0.00 0.00 0.00 179.25 180.09 1ivm n TRP 109 N -4.67 2.71 -0.35 0.00 8.01 0.44 -4.76 117.44 118.81 1ivm n TRP 109 Ca 0.36 -2.73 0.37 0.00 -1.31 0.00 0.00 57.50 54.19 1ivm n TRP 109 Cb 1.38 -1.74 0.68 0.00 -2.01 0.00 0.00 31.31 29.62 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 3.49 0.15 -0.61 -0.99 3.04 -1.26 0.73 116.25 120.80 1ivm h VAL 110 Ca 0.39 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 66.20 1ivm h VAL 110 Cb 0.58 0.19 -0.10 0.00 -2.01 0.00 0.00 31.29 29.95 1ivm h VAL 110 CO 1.53 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 178.08 1ivm h ALA 111 N 1.03 0.58 -0.53 3.17 0.00 -1.85 1.51 119.26 123.17 1ivm h ALA 111 Ca 0.61 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.87 1ivm h ALA 111 Cb 2.78 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.89 1ivm h ALA 111 CO -0.01 -0.40 0.43 2.35 0.00 0.00 0.00 179.25 181.62 1ivm h TRP 112 N 0.11 0.00 0.00 0.00 7.01 0.14 1.57 115.95 124.77 1ivm h TRP 112 Ca 0.32 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.32 1ivm h TRP 112 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1ivm h TRP 112 CO -0.37 0.00 0.00 -0.09 -2.79 0.00 0.00 178.44 175.19 1ivm h ARG 113 N 0.00 0.00 -0.16 2.65 2.43 0.21 0.58 114.38 120.08 1ivm h ARG 113 Ca 0.25 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1ivm h ARG 113 Cb 1.10 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.41 1ivm h ARG 113 CO -0.00 0.00 -0.80 0.00 -1.51 0.00 0.00 179.97 177.66 1ivm n ALA 114 N -2.08 3.30 0.00 2.80 0.00 0.51 -4.47 120.51 120.56 1ivm n ALA 114 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1ivm n ALA 114 Cb 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.46 -0.41 -0.05 0.00 -0.00 0.48 -4.94 115.22 109.85 1ivm n HIS 115 Ca 0.17 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.32 1ivm n HIS 115 Cb 0.90 0.15 -0.01 0.00 -0.12 0.00 0.00 29.99 30.91 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 -3.94 2.49 0.03 0.00 6.02 -0.59 -3.79 117.38 117.59 1ivm n GLN 117 Ca -0.04 -1.45 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 1ivm n GLN 117 Cb 0.16 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.07 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 3.28 0.16 -1.34 1.08 5.15 -1.26 -4.76 115.26 117.57 1ivm n ASN 118 Ca 0.53 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 1ivm n ASN 118 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 -2.80 1.51 -2.76 1.20 0.63 -1.25 -5.08 116.66 108.12 1ivm n ARG 119 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1ivm n ARG 119 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.64 6.28 -0.16 6.15 -1.08 -1.26 -4.80 116.67 121.16 1ivm s ASP 120 Ca 0.00 -1.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.13 1ivm s ASP 120 Cb 0.00 -2.47 0.77 0.00 -1.46 0.00 0.00 42.92 39.76 1ivm s ASP 120 CO 0.00 -1.49 1.68 -0.11 0.52 0.00 0.00 175.17 175.77 1ivm n LEU 121 N 8.08 5.17 0.12 -1.34 -0.00 -1.26 -4.17 117.00 123.60 1ivm n LEU 121 Ca 0.06 -2.64 0.01 0.00 -0.00 0.00 0.00 56.01 53.44 1ivm n LEU 121 Cb 0.47 -0.62 -0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1ivm n LEU 121 CO 0.64 0.75 0.39 -1.28 -0.00 0.00 0.00 177.39 177.89 1ivm h SER 122 N 4.06 0.00 0.47 1.96 0.87 -1.90 -3.08 113.55 115.93 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 1.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1ivm h SER 122 CO 0.33 0.59 0.00 1.67 -0.53 0.00 0.00 176.83 178.89 1ivm n GLN 123 N -3.23 0.01 0.09 2.24 0.00 -1.26 -1.07 117.38 114.16 1ivm n GLN 123 Ca 0.01 0.25 -0.15 0.00 -0.00 0.00 0.00 57.00 57.12 1ivm n GLN 123 Cb 0.77 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.43 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1ivm h TYR 124 N 0.00 0.57 0.06 3.69 3.20 -1.84 -3.33 116.97 119.33 1ivm h TYR 124 Ca 0.00 -0.36 -0.35 0.00 3.14 0.00 0.00 58.73 61.17 1ivm h TYR 124 Cb 0.23 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1ivm h TYR 124 CO 0.00 1.21 -2.01 0.44 -1.64 0.00 0.00 178.16 176.16 1ivm n ILE 125 N -3.66 1.67 -1.78 1.81 -5.35 -0.94 -4.77 119.36 106.34 1ivm n ILE 125 Ca -0.08 -0.70 -0.39 0.00 -0.27 0.00 0.00 62.75 61.32 1ivm n ILE 125 Cb 0.92 -1.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.38 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 -2.56 2.59 0.00 6.28 6.06 -0.23 -2.77 118.95 128.31 1ivm s ARG 126 Ca -0.18 1.25 0.00 0.00 -2.50 0.00 0.00 55.73 54.30 1ivm s ARG 126 Cb 0.07 -4.44 0.00 0.00 0.06 0.00 0.00 34.95 30.65 1ivm s ARG 126 CO 0.77 -2.74 0.00 0.09 -2.50 0.00 0.00 175.30 170.92 1ivm n ASN 127 N 13.52 0.00 0.18 -2.12 4.13 -1.26 -4.83 115.26 124.89 1ivm n ASN 127 Ca 0.29 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.61 1ivm n ASN 127 Cb 0.51 0.00 0.29 0.00 -1.54 0.00 0.00 39.78 39.04 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 0.46 1.80 0.49 0.00 0.00 -1.26 -5.17 105.19 101.51 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 1.55 0.00 0.00 0.00 173.32 174.87