#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 5.28 -0.29 3.15 1.01 -1.26 0.38 120.40 128.66 1ivm s VAL 2 Ca 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1ivm s VAL 2 Cb 0.00 -3.66 0.19 0.00 0.00 0.00 0.00 36.38 32.91 1ivm s VAL 2 CO 0.00 0.35 0.73 -0.31 0.00 0.00 0.00 175.10 175.88 1ivm s TYR 3 N 0.67 -1.40 0.45 5.22 2.02 0.66 -4.74 117.35 120.23 1ivm s TYR 3 Ca 0.18 0.97 0.07 0.00 -0.37 0.00 0.00 57.07 57.92 1ivm s TYR 3 Cb -0.13 0.30 -0.01 0.00 -0.40 0.00 0.00 41.96 41.71 1ivm s TYR 3 CO 0.05 -0.80 0.34 -1.83 -1.57 0.00 0.00 175.55 171.74 1ivm s GLU 4 N 2.87 2.37 0.17 -0.62 -1.05 -1.25 0.33 118.70 121.53 1ivm s GLU 4 Ca 0.15 -1.75 -0.20 0.00 -0.15 0.00 0.00 54.97 53.02 1ivm s GLU 4 Cb -0.09 -2.20 0.09 0.00 -0.44 0.00 0.00 34.13 31.49 1ivm s GLU 4 CO -0.23 -0.29 1.32 2.89 0.95 0.00 0.00 175.26 179.90 1ivm n ARG 5 N -1.53 -0.27 0.00 -4.83 1.85 -1.26 0.16 116.66 110.78 1ivm n ARG 5 Ca 0.01 1.30 0.00 0.00 -1.00 0.00 0.00 57.85 58.16 1ivm n ARG 5 Cb 0.63 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ivm n GLU 7 N -0.55 -0.14 -0.30 0.00 -0.58 -0.87 0.13 120.64 118.32 1ivm n GLU 7 Ca 0.00 0.87 0.04 0.00 -0.42 0.00 0.00 57.16 57.65 1ivm n GLU 7 Cb 0.00 -1.29 0.13 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.40 0.37 -0.32 3.57 0.15 0.30 116.94 120.60 1ivm h PHE 8 Ca 0.05 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ivm h PHE 8 Cb 0.13 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1ivm h PHE 8 CO -0.69 -0.37 -0.26 0.00 -2.23 0.00 0.00 178.31 174.76 1ivm h ALA 9 N 1.86 -0.62 -0.33 2.41 0.00 0.53 0.18 119.26 123.29 1ivm h ALA 9 Ca 0.43 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1ivm h ALA 9 Cb 0.68 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1ivm h ALA 9 CO -0.88 -0.87 -0.37 -0.09 0.00 0.00 0.00 179.25 177.04 1ivm h ARG 10 N -0.62 -0.32 0.03 0.00 2.43 0.25 0.16 114.38 116.31 1ivm h ARG 10 Ca -0.03 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ivm h ARG 10 Cb 0.53 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1ivm h ARG 10 CO 0.01 -0.21 -0.29 1.15 -1.51 0.00 0.00 179.97 179.12 1ivm h THR 11 N -0.33 0.37 -0.56 0.20 2.02 -0.34 1.16 112.91 115.43 1ivm h THR 11 Ca 0.14 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.42 1ivm h THR 11 Cb 0.57 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.24 1ivm h THR 11 CO -0.51 0.00 -0.30 0.25 0.37 0.00 0.00 175.52 175.33 1ivm h LEU 12 N -0.45 -1.03 -1.49 2.58 5.85 0.28 1.76 115.31 122.81 1ivm h LEU 12 Ca 0.05 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1ivm h LEU 12 Cb 0.52 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ivm h LEU 12 CO -0.22 -0.29 -0.23 0.50 -0.34 0.00 0.00 178.44 177.86 1ivm h LYS 13 N -0.15 0.00 0.00 1.25 3.11 -0.05 0.25 116.57 120.98 1ivm h LYS 13 Ca 0.24 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.00 1ivm h LYS 13 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1ivm h LYS 13 CO -0.65 0.23 -0.36 -0.09 -2.81 0.00 0.00 179.45 175.77 1ivm h ARG 14 N 0.00 0.00 0.13 1.90 2.43 1.02 -3.24 114.38 116.62 1ivm h ARG 14 Ca -0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1ivm h ARG 14 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ivm h ARG 14 CO 0.03 0.36 -1.87 -0.97 -1.51 0.00 0.00 179.97 176.01 1ivm h ASN 15 N 0.00 0.43 0.00 -3.80 -0.73 0.31 -3.50 115.58 108.29 1ivm h ASN 15 Ca -0.00 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.25 1ivm h ASN 15 Cb 1.12 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.56 1ivm h ASN 15 CO 0.05 1.81 0.00 0.61 -0.37 0.00 0.00 177.43 179.53 1ivm n GLY 16 N 1.92 0.56 0.01 1.57 0.00 0.78 -5.05 105.19 104.99 1ivm n GLY 16 Ca -0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 1.34 -1.63 1.61 1.56 -1.03 -5.04 117.12 113.94 1ivm n MET 17 Ca 0.00 0.01 -0.35 0.00 -0.27 0.00 0.00 57.70 57.09 1ivm n MET 17 Cb 0.00 -1.05 0.07 0.00 2.15 0.00 0.00 33.22 34.39 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ivm s ALA 18 N -2.05 2.27 0.00 -5.12 0.00 -1.26 -3.02 121.76 112.59 1ivm s ALA 18 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1ivm s ALA 18 Cb 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ivm s ALA 18 CO 0.07 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.59 1ivm n GLY 19 N 0.48 0.63 2.98 0.00 0.00 -1.24 -4.82 105.19 103.22 1ivm n GLY 19 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.72 -1.95 -0.31 1.61 9.36 -1.01 -4.73 117.16 117.42 1ivm n TYR 20 Ca 0.00 0.21 -0.03 0.00 3.32 0.00 0.00 57.90 61.40 1ivm n TYR 20 Cb 0.00 -1.40 -0.00 0.00 -0.63 0.00 0.00 39.34 37.31 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 -4.02 -0.09 0.03 2.98 4.01 -1.26 -4.27 117.16 114.54 1ivm n TYR 21 Ca 0.03 0.97 0.00 0.00 -0.16 0.00 0.00 57.90 58.75 1ivm n TYR 21 Cb 0.34 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 -1.32 0.01 3.42 2.72 0.00 -1.26 -4.99 105.19 103.76 1ivm n GLY 22 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 1ivm n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ivm n VAL 23 N -2.92 0.03 -2.85 1.61 3.14 -1.26 -4.88 118.33 111.20 1ivm n VAL 23 Ca 0.00 -0.16 -0.25 0.00 -2.96 0.00 0.00 64.34 60.97 1ivm n VAL 23 Cb 0.00 -1.05 0.01 0.00 -1.06 0.00 0.00 33.84 31.74 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ivm s SER 24 N 8.12 6.05 0.29 6.55 1.04 -1.26 -2.39 113.70 132.09 1ivm s SER 24 Ca 1.21 0.62 0.02 0.00 0.48 0.00 0.00 55.95 58.27 1ivm s SER 24 Cb -1.10 -1.93 0.72 0.00 0.10 0.00 0.00 66.02 63.81 1ivm s SER 24 CO 0.51 -0.63 1.62 0.25 0.98 0.00 0.00 173.24 175.97 1ivm h LEU 25 N 0.32 -0.20 -0.77 2.42 5.85 -1.90 1.53 115.31 122.56 1ivm h LEU 25 Ca -0.47 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1ivm h LEU 25 Cb 1.23 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 1ivm h LEU 25 CO 0.60 -0.24 0.51 0.00 -0.34 0.00 0.00 178.44 178.97 1ivm h ALA 26 N 1.85 0.98 -0.76 1.25 0.00 -1.93 0.50 119.26 121.16 1ivm h ALA 26 Ca 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1ivm h ALA 26 Cb 1.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ivm h ALA 26 CO -0.75 0.37 0.30 0.22 0.00 0.00 0.00 179.25 179.38 1ivm h ASP 27 N 1.02 1.04 0.70 0.00 1.82 0.16 0.13 116.42 121.29 1ivm h ASP 27 Ca 0.29 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1ivm h ASP 27 Cb -0.09 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.65 1ivm h ASP 27 CO -0.07 0.93 -0.34 -0.50 -1.61 0.00 0.00 179.24 177.65 1ivm h TRP 28 N 1.10 -0.87 -0.53 0.28 4.06 0.84 0.80 115.95 121.64 1ivm h TRP 28 Ca 0.25 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.26 1ivm h TRP 28 Cb 0.22 0.29 -0.10 0.00 -1.00 0.00 0.00 29.16 28.56 1ivm h TRP 28 CO 0.02 -0.53 -0.43 0.28 -3.56 0.00 0.00 178.44 174.21 1ivm h VAL 29 N -1.23 0.09 -0.27 1.49 2.07 0.07 1.07 116.25 119.54 1ivm h VAL 29 Ca -0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ivm h VAL 29 Cb 0.73 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ivm h VAL 29 CO 0.16 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.83 1ivm h LEU 31 N 0.19 -0.42 -0.57 0.00 7.12 0.37 0.69 115.31 122.70 1ivm h LEU 31 Ca 0.12 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.27 1ivm h LEU 31 Cb 0.10 0.29 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1ivm h LEU 31 CO -0.13 -0.15 -0.01 0.00 -0.13 0.00 0.00 178.44 178.02 1ivm h ALA 32 N 1.50 1.00 0.22 1.25 0.00 0.19 -3.23 119.26 120.18 1ivm h ALA 32 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ivm h ALA 32 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ivm h ALA 32 CO -0.50 0.01 -0.10 0.37 0.00 0.00 0.00 179.25 179.02 1ivm h GLN 33 N 0.00 -0.28 -0.06 0.00 -0.00 0.86 0.49 115.11 116.11 1ivm h GLN 33 Ca -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.69 1ivm h GLN 33 Cb 0.82 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.36 1ivm h GLN 33 CO 0.00 0.04 0.20 1.25 0.00 0.00 0.00 178.83 180.32 1ivm h HIS 34 N -0.62 0.00 0.00 3.99 2.76 -0.56 -2.53 115.15 118.19 1ivm h HIS 34 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1ivm h HIS 34 CO 0.03 0.00 -0.07 0.93 -1.30 0.00 0.00 177.93 177.52 1ivm h GLU 35 N 0.00 0.00 0.00 5.26 4.39 -1.49 -3.49 114.58 119.25 1ivm h GLU 35 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ivm h GLU 35 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1ivm h GLU 35 CO -0.00 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.28 1ivm n SER 36 N -4.07 0.00 -4.59 1.42 7.64 0.12 -5.07 113.62 109.07 1ivm n SER 36 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 1ivm n SER 36 Cb 0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 1ivm n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ivm s ASN 37 N 0.00 5.95 0.00 6.43 2.20 -1.04 -3.81 114.94 124.67 1ivm s ASN 37 Ca 0.00 0.79 0.00 0.00 -0.94 0.00 0.00 52.86 52.71 1ivm s ASN 37 Cb 0.00 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 1ivm s ASN 37 CO 0.00 -1.75 0.00 0.00 -2.94 0.00 0.00 177.10 172.41 1ivm n TYR 38 N 10.17 0.00 -3.76 1.54 4.11 0.98 -4.07 117.16 126.13 1ivm n TYR 38 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.99 1ivm n TYR 38 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.77 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1ivm s ASN 39 N 0.00 -0.06 -0.36 9.48 -0.87 -0.18 -0.25 114.94 122.70 1ivm s ASN 39 Ca 0.00 -0.52 0.06 0.00 -1.57 0.00 0.00 52.86 50.83 1ivm s ASN 39 Cb 0.00 0.42 0.44 0.00 -0.02 0.00 0.00 41.25 42.09 1ivm s ASN 39 CO 0.00 -0.81 1.16 1.07 -2.57 0.00 0.00 177.10 175.95 1ivm n THR 40 N -0.16 2.46 -0.00 1.60 5.66 0.16 -4.59 114.28 119.41 1ivm n THR 40 Ca -0.15 -4.55 0.02 0.00 -3.05 0.00 0.00 64.05 56.33 1ivm n THR 40 Cb 0.63 -1.20 -0.04 0.00 -1.55 0.00 0.00 70.33 68.17 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ivm n ARG 41 N -0.60 0.39 -1.25 1.09 0.63 -1.26 -3.24 116.66 112.42 1ivm n ARG 41 Ca 0.42 -0.05 -0.51 0.00 -0.92 0.00 0.00 57.85 56.79 1ivm n ARG 41 Cb 0.82 -1.14 -0.12 0.00 0.45 0.00 0.00 32.46 32.47 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 -1.73 0.23 -2.90 5.13 0.00 -1.26 -4.75 120.51 115.22 1ivm n ALA 42 Ca -0.02 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1ivm n ALA 42 Cb 0.19 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.50 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 6.51 0.23 -0.35 0.00 -4.23 -1.26 0.14 115.64 116.68 1ivm s THR 43 Ca 1.18 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1ivm s THR 43 Cb -1.35 -0.31 0.16 0.00 1.34 0.00 0.00 72.50 72.35 1ivm s THR 43 CO 0.57 -0.30 0.43 0.20 -0.54 0.00 0.00 174.62 174.98 1ivm s ASN 44 N -1.05 0.47 0.44 3.99 -0.87 0.59 -4.93 114.94 113.59 1ivm s ASN 44 Ca -0.09 -1.01 -0.01 0.00 -1.57 0.00 0.00 52.86 50.17 1ivm s ASN 44 Cb -0.07 0.98 -0.02 0.00 -0.02 0.00 0.00 41.25 42.12 1ivm s ASN 44 CO -0.00 -0.28 0.67 -0.72 -2.57 0.00 0.00 177.10 174.20 1ivm s TYR 45 N 1.91 3.36 -0.30 2.20 -0.85 -1.26 0.87 117.35 123.28 1ivm s TYR 45 Ca 0.14 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.08 1ivm s TYR 45 Cb -0.12 -2.23 0.19 0.00 0.38 0.00 0.00 41.96 40.18 1ivm s TYR 45 CO -0.14 -0.25 0.67 -0.80 -1.52 0.00 0.00 175.55 173.52 1ivm s ASN 46 N -4.15 -1.33 0.19 -0.18 0.01 -1.09 -4.88 114.94 103.51 1ivm s ASN 46 Ca 0.46 0.45 0.09 0.00 -0.71 0.00 0.00 52.86 53.16 1ivm s ASN 46 Cb -0.10 1.97 0.04 0.00 0.41 0.00 0.00 41.25 43.57 1ivm s ASN 46 CO 0.39 -0.25 1.43 -0.09 -1.51 0.00 0.00 177.10 177.07 1ivm h ARG 47 N 7.94 0.00 -0.84 -0.60 2.43 -1.95 0.15 114.38 121.50 1ivm h ARG 47 Ca -0.11 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.36 1ivm h ARG 47 Cb 1.18 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.63 1ivm h ARG 47 CO 0.15 0.81 0.53 0.41 -1.51 0.00 0.00 179.97 180.36 1ivm n GLY 48 N 0.91 -0.53 2.14 2.80 0.00 -1.26 0.14 105.19 109.39 1ivm n GLY 48 Ca -0.00 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.06 1.40 -3.95 1.61 2.03 -1.24 -5.00 116.55 107.34 1ivm n ASP 49 Ca 0.26 -2.10 -0.31 0.00 0.52 0.00 0.00 54.79 53.16 1ivm n ASP 49 Cb 0.98 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.11 -0.63 -3.52 -0.67 -0.06 0.38 -4.90 117.38 107.88 1ivm n GLN 50 Ca 0.08 -0.03 -0.20 0.00 -2.00 0.00 0.00 57.00 54.85 1ivm n GLN 50 Cb 0.96 -2.02 -0.14 0.00 -4.06 0.00 0.00 30.24 24.98 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 -3.96 1.61 0.32 1.69 1.04 0.52 -4.67 113.70 110.25 1ivm s SER 51 Ca 0.22 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.41 1ivm s SER 51 Cb -0.13 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1ivm s SER 51 CO 0.74 -0.33 0.28 -0.89 0.98 0.00 0.00 173.24 174.02 1ivm s THR 52 N 2.28 3.71 -0.22 2.02 2.01 -1.26 -2.65 115.64 121.52 1ivm s THR 52 Ca 0.06 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.65 1ivm s THR 52 Cb -0.16 -3.23 0.12 0.00 0.01 0.00 0.00 72.50 69.24 1ivm s THR 52 CO -0.11 -0.20 0.40 -1.81 -0.69 0.00 0.00 174.62 172.21 1ivm s ASP 53 N -3.98 -0.06 0.33 3.53 1.01 0.25 0.28 116.67 118.04 1ivm s ASP 53 Ca 0.40 0.61 -0.08 0.00 0.71 0.00 0.00 52.55 54.19 1ivm s ASP 53 Cb -0.06 1.26 0.01 0.00 1.01 0.00 0.00 42.92 45.15 1ivm s ASP 53 CO 0.26 -0.27 0.56 -0.72 0.21 0.00 0.00 175.17 175.22 1ivm s TYR 54 N 2.59 0.66 0.00 4.23 -0.85 0.15 0.22 117.35 124.35 1ivm s TYR 54 Ca 0.06 -1.04 0.00 0.00 -0.52 0.00 0.00 57.07 55.57 1ivm s TYR 54 Cb -0.14 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.42 1ivm s TYR 54 CO -0.15 -1.22 0.00 0.41 -1.52 0.00 0.00 175.55 173.07 1ivm n GLY 55 N -0.52 2.47 0.28 5.49 0.00 0.12 0.15 105.19 113.19 1ivm n GLY 55 Ca -0.02 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1ivm n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 56 N 0.00 0.40 -0.30 -0.61 1.08 -1.86 1.70 117.51 117.93 1ivm h ILE 56 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1ivm h ILE 56 Cb 0.00 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1ivm h ILE 56 CO 0.00 0.04 0.00 0.49 -0.69 0.00 0.00 178.15 177.99 1ivm n PHE 57 N -5.23 0.84 -3.75 1.37 3.72 -1.26 -4.47 117.46 108.68 1ivm n PHE 57 Ca 0.16 -0.31 -0.27 0.00 -0.05 0.00 0.00 57.45 56.98 1ivm n PHE 57 Cb 0.53 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N 0.37 -1.61 -3.24 -1.08 7.27 0.58 -4.90 117.38 114.78 1ivm n GLN 58 Ca 0.13 0.86 -0.36 0.00 0.07 0.00 0.00 57.00 57.70 1ivm n GLN 58 Cb 0.58 -2.25 -0.06 0.00 2.41 0.00 0.00 30.24 30.92 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -2.75 4.72 0.10 1.69 1.01 0.40 -4.66 121.20 121.71 1ivm s ILE 59 Ca 0.06 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.57 1ivm s ILE 59 Cb -0.01 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1ivm s ILE 59 CO 0.89 0.28 0.68 0.21 0.00 0.00 0.00 174.94 177.00 1ivm s ASN 60 N -1.59 7.21 0.00 3.58 3.84 -1.26 0.32 114.94 127.04 1ivm s ASN 60 Ca 0.39 1.44 0.27 0.00 0.21 0.00 0.00 52.86 55.16 1ivm s ASN 60 Cb -0.16 -2.43 0.79 0.00 -0.55 0.00 0.00 41.25 38.90 1ivm s ASN 60 CO 0.20 0.21 1.60 -0.24 -2.79 0.00 0.00 177.10 176.08 1ivm n SER 61 N 1.84 1.83 -0.01 -4.21 2.88 0.79 -2.45 113.62 114.28 1ivm n SER 61 Ca -0.07 -1.57 -0.08 0.00 -1.33 0.00 0.00 58.87 55.82 1ivm n SER 61 Cb 0.50 0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 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 2.82 0.00 0.00 -1.46 2.43 -1.69 -3.37 114.38 113.11 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 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1ivm h ARG 62 CO 0.00 0.55 -0.30 0.66 -1.51 0.00 0.00 179.97 179.37 1ivm n TYR 63 N -3.08 0.00 0.00 2.20 4.01 -1.25 -2.70 117.16 116.34 1ivm n TYR 63 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1ivm n TYR 63 Cb 1.03 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1ivm n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1ivm n TRP 64 N -3.24 0.00 -0.99 -0.72 8.01 -1.03 0.11 117.44 119.59 1ivm n TRP 64 Ca -0.04 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.84 1ivm n TRP 64 Cb 0.16 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.47 1ivm n TRP 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ivm s ASN 66 N -0.81 2.28 -0.09 0.00 -0.87 -0.81 -3.99 114.94 110.66 1ivm s ASN 66 Ca 0.45 -1.74 -0.10 0.00 -1.57 0.00 0.00 52.86 49.90 1ivm s ASN 66 Cb -0.38 0.57 -0.05 0.00 -0.02 0.00 0.00 41.25 41.38 1ivm s ASN 66 CO 0.54 -1.02 -0.20 -0.67 -2.57 0.00 0.00 177.10 173.18 1ivm n ASP 67 N -1.48 1.44 0.00 -1.22 -0.08 -1.26 0.11 116.55 114.06 1ivm n ASP 67 Ca 0.01 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1ivm n ASP 67 Cb 0.63 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 2.21 0.85 0.00 0.27 0.00 -1.26 -4.82 105.19 102.44 1ivm n GLY 68 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.78 0.00 -3.71 1.61 5.02 -1.26 -4.66 118.16 114.37 1ivm n LYS 69 Ca 0.00 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1ivm n LYS 69 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 1ivm n LYS 69 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ivm s THR 70 N -3.00 1.27 -0.67 -0.18 -1.32 -1.26 -5.00 115.64 105.47 1ivm s THR 70 Ca 0.09 -2.29 -0.06 0.00 -1.21 0.00 0.00 61.69 58.22 1ivm s THR 70 Cb 0.17 -1.91 -0.13 0.00 -1.51 0.00 0.00 72.50 69.12 1ivm s THR 70 CO 0.80 -0.85 2.65 -0.81 -2.21 0.00 0.00 174.62 174.21 1ivm n PRO 71 N 3.84 2.22 0.00 7.08 -0.04 -1.26 -3.44 135.00 143.39 1ivm n PRO 71 Ca 0.06 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1ivm n PRO 71 Cb 0.36 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.34 0.00 0.00 0.54 3.00 -1.26 -5.08 116.66 117.20 1ivm n ARG 72 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1ivm n ARG 72 Cb 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 32.46 32.35 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 -2.60 0.00 -3.18 5.13 0.00 -1.22 -5.02 120.51 113.62 1ivm n ALA 73 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ivm n ALA 73 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 1ivm n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ivm s VAL 74 N -0.44 -0.39 -0.61 0.00 0.11 -1.10 -5.08 120.40 112.89 1ivm s VAL 74 Ca 0.00 -1.39 -0.27 0.00 -2.93 0.00 0.00 61.98 57.39 1ivm s VAL 74 Cb 0.00 -0.58 -0.11 0.00 -1.53 0.00 0.00 36.38 34.16 1ivm s VAL 74 CO 0.00 -0.55 2.48 -0.46 -3.33 0.00 0.00 175.10 173.23 1ivm n ASN 75 N 3.47 1.86 0.18 3.54 6.94 -1.11 -4.41 115.26 125.73 1ivm n ASN 75 Ca 0.19 -0.40 0.08 0.00 -0.02 0.00 0.00 54.58 54.43 1ivm n ASN 75 Cb 0.50 -1.45 0.11 0.00 -2.36 0.00 0.00 39.78 36.58 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm h ALA 76 N 17.85 0.86 0.03 -2.53 0.00 0.80 -3.20 119.26 133.08 1ivm h ALA 76 Ca -0.19 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 1ivm h ALA 76 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1ivm h ALA 76 CO 1.21 0.23 -1.80 0.00 0.00 0.00 0.00 179.25 178.89 1ivm n GLY 78 N 1.68 -0.42 3.29 0.00 0.00 -1.21 -4.98 105.19 103.55 1ivm n GLY 78 Ca -0.21 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.26 0.10 0.09 -0.61 -4.36 -1.26 -5.06 121.20 106.83 1ivm s ILE 79 Ca 0.24 -1.13 -0.31 0.00 -0.26 0.00 0.00 60.65 59.20 1ivm s ILE 79 Cb -0.03 -1.51 -0.07 0.00 1.25 0.00 0.00 42.46 42.10 1ivm s ILE 79 CO 0.51 -0.43 1.27 0.20 0.24 0.00 0.00 174.94 176.73 1ivm s ASN 80 N -2.89 6.98 0.27 4.36 -0.87 -1.26 -1.92 114.94 119.61 1ivm s ASN 80 Ca 0.09 2.16 -0.02 0.00 -1.57 0.00 0.00 52.86 53.52 1ivm s ASN 80 Cb 0.03 -2.58 0.38 0.00 -0.02 0.00 0.00 41.25 39.06 1ivm s ASN 80 CO -0.07 -0.54 1.83 0.00 -2.57 0.00 0.00 177.10 175.76 1ivm h SER 82 N 0.86 0.00 0.21 0.00 0.87 -1.91 1.45 113.55 115.03 1ivm h SER 82 Ca 0.19 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1ivm h SER 82 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1ivm h SER 82 CO -0.01 0.00 -0.10 0.00 -0.53 0.00 0.00 176.83 176.19 1ivm h ALA 83 N 1.35 1.48 -0.32 6.23 0.00 -1.59 0.29 119.26 126.69 1ivm h ALA 83 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ivm h ALA 83 Cb 1.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ivm h ALA 83 CO -0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ivm n LEU 84 N -3.90 2.20 -0.36 0.00 4.77 0.50 -3.57 117.00 116.63 1ivm n LEU 84 Ca -0.02 -1.01 0.08 0.00 -0.03 0.00 0.00 56.01 55.03 1ivm n LEU 84 Cb 0.19 -0.21 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 1ivm n LEU 84 CO 0.31 0.50 0.45 0.18 -1.33 0.00 0.00 177.39 177.51 1ivm n LEU 85 N 0.68 2.42 0.00 2.23 7.99 0.99 -4.71 117.00 126.60 1ivm n LEU 85 Ca 0.16 -3.38 0.00 0.00 -0.01 0.00 0.00 56.01 52.77 1ivm n LEU 85 Cb 0.38 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1ivm n LEU 85 CO 0.12 1.01 0.00 0.00 -1.51 0.00 0.00 177.39 177.01 1ivm n GLN 86 N -1.21 2.17 -0.06 3.23 6.02 -1.15 -5.04 117.38 121.34 1ivm n GLN 86 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1ivm n GLN 86 Cb 0.68 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.92 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 -1.29 1.64 -4.68 1.08 5.68 -1.26 -4.88 116.55 112.83 1ivm n ASP 87 Ca 0.00 0.59 -0.30 0.00 -0.50 0.00 0.00 54.79 54.58 1ivm n ASP 87 Cb 0.00 -0.83 0.15 0.00 -1.14 0.00 0.00 41.12 39.30 1ivm n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ivm s ASP 88 N -5.53 3.15 0.00 -1.12 1.11 -1.26 -4.70 116.67 108.32 1ivm s ASP 88 Ca -0.14 1.90 0.20 0.00 0.18 0.00 0.00 52.55 54.69 1ivm s ASP 88 Cb 0.02 -2.46 0.43 0.00 1.07 0.00 0.00 42.92 41.98 1ivm s ASP 88 CO 0.21 -2.91 1.36 2.30 1.18 0.00 0.00 175.17 177.31 1ivm n ILE 89 N -4.09 0.67 -0.44 0.77 -5.35 -1.26 -4.50 119.36 105.16 1ivm n ILE 89 Ca 0.09 -0.83 0.36 0.00 -0.27 0.00 0.00 62.75 62.10 1ivm n ILE 89 Cb 0.53 0.81 0.65 0.00 -1.74 0.00 0.00 39.64 39.89 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 3.81 0.21 -0.21 7.28 1.03 -1.92 1.87 112.91 124.98 1ivm h THR 90 Ca 0.00 -0.04 -0.20 0.00 -0.01 0.00 0.00 66.41 66.15 1ivm h THR 90 Cb 0.90 0.07 0.01 0.00 -1.07 0.00 0.00 68.15 68.06 1ivm h THR 90 CO 0.00 0.02 -0.66 0.00 -0.01 0.00 0.00 175.52 174.87 1ivm h ALA 91 N 1.53 0.36 -0.55 0.00 0.00 -1.80 0.16 119.26 118.97 1ivm h ALA 91 Ca 0.77 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ivm h ALA 91 Cb 2.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 20.19 1ivm h ALA 91 CO -0.32 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.67 1ivm h ALA 92 N 0.60 1.10 -0.03 0.00 0.00 0.24 0.16 119.26 121.33 1ivm h ALA 92 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ivm h ALA 92 Cb 1.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ivm h ALA 92 CO 0.14 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.74 1ivm h ILE 93 N 0.84 1.45 -0.29 0.00 2.04 -0.24 0.51 117.51 121.83 1ivm h ILE 93 Ca 0.17 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.65 1ivm h ILE 93 Cb 0.39 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1ivm h ILE 93 CO 0.01 0.38 -0.00 -0.61 0.00 0.00 0.00 178.15 177.93 1ivm h GLN 94 N -0.47 0.08 -0.28 2.37 4.15 -0.49 0.52 115.11 120.98 1ivm h GLN 94 Ca -0.00 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1ivm h GLN 94 Cb 0.66 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1ivm h GLN 94 CO 0.01 0.05 -0.13 0.00 -1.93 0.00 0.00 178.83 176.84 1ivm h ALA 96 N 0.75 0.28 -0.43 0.00 0.00 0.79 1.70 119.26 122.36 1ivm h ALA 96 Ca 0.06 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1ivm h ALA 96 Cb 0.64 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ivm h ALA 96 CO 0.04 -0.45 -0.24 1.57 0.00 0.00 0.00 179.25 180.17 1ivm h LYS 97 N -0.00 0.92 0.00 0.00 2.10 0.13 0.12 116.57 119.84 1ivm h LYS 97 Ca 0.21 -0.42 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1ivm h LYS 97 Cb 0.31 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1ivm h LYS 97 CO -0.44 1.07 -0.02 -0.09 -2.00 0.00 0.00 179.45 177.97 1ivm h ARG 98 N 0.75 0.00 0.00 0.07 9.65 0.13 0.31 114.38 125.28 1ivm h ARG 98 Ca 0.09 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.89 1ivm h ARG 98 Cb 0.82 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 1ivm h ARG 98 CO 0.07 0.02 -0.62 0.28 2.80 0.00 0.00 179.97 182.52 1ivm h VAL 99 N 0.00 0.61 -0.55 0.20 2.07 0.30 -3.26 116.25 115.62 1ivm h VAL 99 Ca -0.00 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 65.92 1ivm h VAL 99 Cb 0.32 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1ivm h VAL 99 CO 0.00 0.21 0.37 0.58 0.02 0.00 0.00 177.57 178.75 1ivm h VAL 100 N -1.00 1.06 0.00 2.57 2.07 -0.65 0.34 116.25 120.63 1ivm h VAL 100 Ca -0.13 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ivm h VAL 100 Cb 0.79 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1ivm h VAL 100 CO -0.08 0.11 0.00 -0.09 0.02 0.00 0.00 177.57 177.54 1ivm h ARG 101 N 0.62 0.00 -7.64 1.57 2.43 -0.54 -3.36 114.38 107.47 1ivm h ARG 101 Ca 0.22 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.94 1ivm h ARG 101 Cb 0.12 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 29.81 1ivm h ARG 101 CO -0.06 0.00 0.33 0.34 -1.51 0.00 0.00 179.97 179.07 1ivm s ASP 102 N -4.37 3.31 0.00 -3.80 2.15 0.12 -4.93 116.67 109.15 1ivm s ASP 102 Ca 0.02 -0.00 0.15 0.00 0.43 0.00 0.00 52.55 53.15 1ivm s ASP 102 Cb 0.09 -0.08 0.88 0.00 -0.30 0.00 0.00 42.92 43.51 1ivm s ASP 102 CO 0.36 -2.58 1.39 -0.81 -0.17 0.00 0.00 175.17 173.37 1ivm n PRO 103 N -3.54 0.75 0.01 4.34 -0.04 -1.26 -3.53 135.00 131.72 1ivm n PRO 103 Ca 0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1ivm n PRO 103 Cb 0.60 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.10 -0.79 0.54 1.08 -1.85 -3.51 115.11 110.47 1ivm h GLN 104 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ivm h GLN 104 Cb 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1ivm h GLN 104 CO 0.00 -0.07 -0.21 0.41 -0.95 0.00 0.00 178.83 178.02 1ivm n GLY 105 N 1.49 -3.07 0.62 3.46 0.00 -1.23 -4.17 105.19 102.30 1ivm n GLY 105 Ca -0.01 -1.20 0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 0.04 0.10 -1.35 -0.61 1.08 -1.90 0.39 117.51 115.26 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 0.20 0.12 -0.14 0.00 -3.07 0.00 0.00 36.82 33.93 1ivm h ILE 106 CO 0.00 0.00 0.86 -1.14 -0.69 0.00 0.00 178.15 177.18 1ivm n ARG 107 N -3.80 -0.04 -0.44 2.37 0.63 -1.26 0.18 116.66 114.30 1ivm n ARG 107 Ca 0.34 1.26 0.36 0.00 -0.92 0.00 0.00 57.85 58.89 1ivm n ARG 107 Cb 1.68 -2.46 0.65 0.00 0.45 0.00 0.00 32.46 32.78 1ivm n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm h ALA 108 N 1.61 2.74 -1.38 5.13 0.00 -0.36 0.14 119.26 127.14 1ivm h ALA 108 Ca 0.88 0.10 -0.79 0.00 0.00 0.00 0.00 54.91 55.09 1ivm h ALA 108 Cb 2.79 0.18 -0.23 0.00 0.00 0.00 0.00 17.79 20.53 1ivm h ALA 108 CO -0.48 -1.34 1.29 0.91 0.00 0.00 0.00 179.25 179.63 1ivm n TRP 109 N -4.64 2.54 -0.64 0.00 8.01 0.47 -4.78 117.44 118.39 1ivm n TRP 109 Ca 0.36 -2.63 0.50 0.00 -1.31 0.00 0.00 57.50 54.42 1ivm n TRP 109 Cb 1.40 -1.43 0.78 0.00 -2.01 0.00 0.00 31.31 30.05 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 3.02 0.02 -0.79 -0.99 3.04 -0.91 0.64 116.25 120.27 1ivm h VAL 110 Ca 0.40 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 66.24 1ivm h VAL 110 Cb 0.49 0.02 -0.15 0.00 -2.01 0.00 0.00 31.29 29.64 1ivm h VAL 110 CO 1.36 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 177.68 1ivm h ALA 111 N 0.96 0.39 -0.96 3.17 0.00 -1.86 1.68 119.26 122.64 1ivm h ALA 111 Ca 0.88 0.28 0.10 0.00 0.00 0.00 0.00 54.91 56.17 1ivm h ALA 111 Cb 3.65 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 22.05 1ivm h ALA 111 CO -0.01 -0.48 0.60 2.35 0.00 0.00 0.00 179.25 181.71 1ivm h TRP 112 N -0.03 1.09 0.00 0.00 7.01 -0.05 0.82 115.95 124.79 1ivm h TRP 112 Ca 0.36 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1ivm h TRP 112 Cb 0.58 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1ivm h TRP 112 CO -0.66 0.48 0.00 -2.13 -2.79 0.00 0.00 178.44 173.34 1ivm n ARG 113 N -4.61 0.14 -1.51 2.65 0.63 0.56 0.87 116.66 115.39 1ivm n ARG 113 Ca 0.17 0.61 -0.02 0.00 -0.92 0.00 0.00 57.85 57.68 1ivm n ARG 113 Cb 0.28 -1.92 0.09 0.00 0.45 0.00 0.00 32.46 31.36 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 114 N -1.76 3.46 0.00 5.13 0.00 0.27 -4.40 120.51 123.21 1ivm n ALA 114 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1ivm n ALA 114 Cb 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.77 -0.09 0.00 -0.00 -0.02 -4.96 115.22 108.86 1ivm n HIS 115 Ca 0.19 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.23 1ivm n HIS 115 Cb 0.89 0.29 -0.07 0.00 -0.12 0.00 0.00 29.99 30.98 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 -4.53 2.08 0.16 0.00 1.13 -1.05 -3.15 117.38 112.03 1ivm n GLN 117 Ca -0.20 -1.30 0.00 0.00 -1.94 0.00 0.00 57.00 53.56 1ivm n GLN 117 Cb 0.48 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.54 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 3.57 -1.60 -1.49 1.08 2.85 -1.26 -4.77 115.26 113.64 1ivm n ASN 118 Ca 0.44 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 1ivm n ASN 118 Cb 0.31 1.63 0.00 0.00 1.24 0.00 0.00 39.78 42.97 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 -3.32 1.08 -2.95 1.20 0.63 -1.19 -5.09 116.66 107.02 1ivm n ARG 119 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1ivm n ARG 119 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 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 -0.95 6.20 0.00 6.15 2.15 -1.26 -4.84 116.67 124.12 1ivm s ASP 120 Ca 0.00 -0.99 0.13 0.00 0.43 0.00 0.00 52.55 52.11 1ivm s ASP 120 Cb 0.00 -2.38 0.36 0.00 -0.30 0.00 0.00 42.92 40.61 1ivm s ASP 120 CO 0.00 -1.27 1.30 -0.11 -0.17 0.00 0.00 175.17 174.92 1ivm n LEU 121 N 7.16 2.13 0.19 -1.34 -0.00 -1.26 -3.76 117.00 120.12 1ivm n LEU 121 Ca -0.05 -1.06 0.07 0.00 -0.00 0.00 0.00 56.01 54.97 1ivm n LEU 121 Cb 0.45 -0.26 0.23 0.00 -0.00 0.00 0.00 43.42 43.83 1ivm n LEU 121 CO 0.61 0.53 0.67 0.28 -0.00 0.00 0.00 177.39 179.48 1ivm h SER 122 N 2.34 0.00 0.64 1.96 0.02 -1.92 -2.87 113.55 113.72 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 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1ivm h SER 122 CO 0.00 0.30 0.00 1.67 -1.14 0.00 0.00 176.83 177.66 1ivm n GLN 123 N -3.26 0.15 0.08 3.45 -0.06 -1.25 -0.65 117.38 115.85 1ivm n GLN 123 Ca 0.02 0.40 -0.11 0.00 -2.00 0.00 0.00 57.00 55.31 1ivm n GLN 123 Cb 0.58 -1.80 -0.06 0.00 -4.06 0.00 0.00 30.24 24.90 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1ivm h TYR 124 N 0.00 0.34 0.06 3.69 3.20 -1.78 -3.31 116.97 119.15 1ivm h TYR 124 Ca 0.00 -0.21 -0.35 0.00 3.14 0.00 0.00 58.73 61.32 1ivm h TYR 124 Cb 0.32 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1ivm h TYR 124 CO 0.00 1.07 -2.02 0.44 -1.64 0.00 0.00 178.16 176.01 1ivm n ILE 125 N -3.60 1.65 -1.61 1.81 -5.35 -0.91 -4.47 119.36 106.89 1ivm n ILE 125 Ca -0.05 -0.71 -0.42 0.00 -0.27 0.00 0.00 62.75 61.30 1ivm n ILE 125 Cb 0.87 -1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 37.41 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 3.02 0.00 6.28 6.06 0.17 0.16 118.95 132.09 1ivm s ARG 126 Ca -0.17 1.96 0.00 0.00 -2.50 0.00 0.00 55.73 55.02 1ivm s ARG 126 Cb 0.07 -4.39 0.00 0.00 0.06 0.00 0.00 34.95 30.69 1ivm s ARG 126 CO 0.77 -2.23 0.00 -1.71 -2.50 0.00 0.00 175.30 169.63 1ivm n ASN 127 N 12.12 -1.80 -0.04 -2.12 5.15 -1.26 -4.86 115.26 122.44 1ivm n ASN 127 Ca 0.30 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.14 1ivm n ASN 127 Cb 0.46 -0.46 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ivm n GLY 129 N 1.84 0.41 0.47 0.00 0.00 -1.26 -4.76 105.19 101.90 1ivm n GLY 129 Ca -0.29 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70