#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 1.41 -0.07 0.58 1.01 -1.26 -0.39 120.40 121.68 1ivm s VAL 2 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1ivm s VAL 2 Cb 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.08 1ivm s VAL 2 CO 0.00 0.43 0.09 -0.31 0.00 0.00 0.00 175.10 175.31 1ivm s TYR 3 N 1.43 0.03 0.40 5.22 2.02 0.55 -4.95 117.35 122.05 1ivm s TYR 3 Ca 0.02 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 57.01 1ivm s TYR 3 Cb -0.13 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1ivm s TYR 3 CO -0.08 -0.26 0.57 -1.83 -1.57 0.00 0.00 175.55 172.38 1ivm s GLU 4 N 2.19 2.98 0.14 -0.62 -1.05 -1.26 0.27 118.70 121.35 1ivm s GLU 4 Ca 0.04 -0.92 -0.18 0.00 -0.15 0.00 0.00 54.97 53.77 1ivm s GLU 4 Cb -0.13 -2.71 0.07 0.00 -0.44 0.00 0.00 34.13 30.92 1ivm s GLU 4 CO -0.05 -0.17 1.13 2.89 0.95 0.00 0.00 175.26 180.02 1ivm n ARG 5 N -1.86 -0.24 0.00 -4.83 1.85 -1.26 0.12 116.66 110.44 1ivm n ARG 5 Ca 0.03 1.11 0.00 0.00 -1.00 0.00 0.00 57.85 57.99 1ivm n ARG 5 Cb 0.58 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 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 -0.81 -0.16 -0.36 0.00 1.02 -0.58 0.76 120.64 120.50 1ivm n GLU 7 Ca 0.00 0.91 -0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1ivm n GLU 7 Cb 0.00 -1.35 0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ivm h PHE 8 N 0.00 -0.96 0.35 -0.32 3.04 0.92 0.48 116.94 120.45 1ivm h PHE 8 Ca 0.06 0.10 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1ivm h PHE 8 Cb 0.15 0.56 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1ivm h PHE 8 CO -0.71 -0.40 -0.31 0.00 -2.02 0.00 0.00 178.31 174.86 1ivm h ALA 9 N 1.45 -0.68 -0.24 2.41 0.00 0.34 0.15 119.26 122.69 1ivm h ALA 9 Ca 0.36 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ivm h ALA 9 Cb 0.61 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1ivm h ALA 9 CO -0.96 -0.92 -0.53 -0.09 0.00 0.00 0.00 179.25 176.76 1ivm h ARG 10 N -0.68 -0.48 -0.17 0.00 2.43 0.26 0.16 114.38 115.91 1ivm h ARG 10 Ca -0.02 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1ivm h ARG 10 Cb 0.60 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 1ivm h ARG 10 CO -0.04 -0.32 -0.36 1.15 -1.51 0.00 0.00 179.97 178.89 1ivm h THR 11 N -0.50 0.22 -0.60 0.20 2.02 -0.01 1.02 112.91 115.26 1ivm h THR 11 Ca 0.06 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.35 1ivm h THR 11 Cb 0.64 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 67.16 1ivm h THR 11 CO -0.50 0.00 -0.32 0.25 0.37 0.00 0.00 175.52 175.33 1ivm h LEU 12 N -0.41 -1.10 -1.68 2.58 5.85 0.14 1.77 115.31 122.47 1ivm h LEU 12 Ca 0.10 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1ivm h LEU 12 Cb 0.57 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1ivm h LEU 12 CO -0.40 -0.30 -0.19 0.50 -0.34 0.00 0.00 178.44 177.72 1ivm h LYS 13 N -0.14 0.00 0.00 1.25 3.64 0.42 0.84 116.57 122.58 1ivm h LYS 13 Ca 0.24 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1ivm h LYS 13 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ivm h LYS 13 CO -0.68 0.19 -0.59 -0.09 -2.27 0.00 0.00 179.45 176.00 1ivm h ARG 14 N 0.00 0.00 0.10 1.90 2.43 1.00 -3.28 114.38 116.52 1ivm h ARG 14 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 1ivm h ARG 14 Cb 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1ivm h ARG 14 CO 0.02 0.59 -1.77 -0.97 -1.51 0.00 0.00 179.97 176.33 1ivm h ASN 15 N 0.00 0.32 0.00 -3.80 -1.24 0.32 -3.50 115.58 107.68 1ivm h ASN 15 Ca -0.01 -0.83 0.00 0.00 0.71 0.00 0.00 56.30 56.17 1ivm h ASN 15 Cb 1.28 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1ivm h ASN 15 CO 0.08 1.75 0.00 0.61 -1.29 0.00 0.00 177.43 178.58 1ivm n GLY 16 N 1.83 0.63 0.22 1.57 0.00 0.28 -5.07 105.19 104.65 1ivm n GLY 16 Ca -0.31 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 -1.68 1.61 2.81 -0.78 -4.99 117.12 114.10 1ivm n MET 17 Ca 0.00 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.45 1ivm n MET 17 Cb 0.00 -0.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.79 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 -2.12 1.57 -0.28 3.04 0.00 -1.25 -1.22 120.51 120.25 1ivm n ALA 18 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ivm n ALA 18 Cb 0.26 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 4.26 0.86 2.54 0.00 0.00 -1.18 -4.72 105.19 106.95 1ivm n GLY 19 Ca 0.20 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.25 -2.24 -0.25 1.61 9.36 -0.35 -4.63 117.16 118.41 1ivm n TYR 20 Ca 0.00 -0.01 0.20 0.00 3.32 0.00 0.00 57.90 61.40 1ivm n TYR 20 Cb 0.01 -1.14 0.36 0.00 -0.63 0.00 0.00 39.34 37.94 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 -4.07 0.74 0.08 2.98 4.01 -1.26 -4.15 117.16 115.49 1ivm n TYR 21 Ca 0.06 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.68 1ivm n TYR 21 Cb 0.24 -1.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 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 -1.26 -0.25 3.51 2.72 0.00 -1.26 -5.05 105.19 103.59 1ivm n GLY 22 Ca 0.25 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.68 1ivm n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ivm n VAL 23 N -3.07 0.13 -2.75 1.61 0.24 -1.26 -4.86 118.33 108.37 1ivm n VAL 23 Ca 0.00 -0.08 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 1ivm n VAL 23 Cb 0.00 -0.99 0.02 0.00 -1.47 0.00 0.00 33.84 31.40 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ivm s SER 24 N 5.18 5.64 0.28 -1.34 0.01 -1.26 -1.31 113.70 120.89 1ivm s SER 24 Ca 1.09 0.34 0.01 0.00 1.31 0.00 0.00 55.95 58.70 1ivm s SER 24 Cb -1.22 -1.44 0.64 0.00 0.21 0.00 0.00 66.02 64.21 1ivm s SER 24 CO 0.64 -0.90 1.68 0.25 0.41 0.00 0.00 173.24 175.32 1ivm h LEU 25 N 0.17 0.13 -0.76 2.44 5.85 -1.89 0.81 115.31 122.06 1ivm h LEU 25 Ca -0.45 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1ivm h LEU 25 Cb 1.26 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 1ivm h LEU 25 CO 0.57 -0.06 0.49 0.00 -0.34 0.00 0.00 178.44 179.11 1ivm h ALA 26 N 1.70 0.98 -0.74 1.25 0.00 -1.93 0.67 119.26 121.19 1ivm h ALA 26 Ca 0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 1ivm h ALA 26 Cb 0.97 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ivm h ALA 26 CO -0.56 0.32 0.23 0.22 0.00 0.00 0.00 179.25 179.46 1ivm h ASP 27 N 0.98 1.08 0.65 0.00 1.82 0.06 0.42 116.42 121.42 1ivm h ASP 27 Ca 0.29 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1ivm h ASP 27 Cb -0.04 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 39.69 1ivm h ASP 27 CO -0.09 1.00 -0.31 -0.50 -1.61 0.00 0.00 179.24 177.73 1ivm h TRP 28 N 1.11 -0.81 -0.24 0.28 4.06 0.73 0.70 115.95 121.78 1ivm h TRP 28 Ca 0.24 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.22 1ivm h TRP 28 Cb 0.31 0.27 -0.08 0.00 -1.00 0.00 0.00 29.16 28.66 1ivm h TRP 28 CO 0.03 -0.50 -0.45 0.28 -3.56 0.00 0.00 178.44 174.23 1ivm h VAL 29 N -1.14 0.10 -0.50 1.49 2.07 0.37 1.07 116.25 119.71 1ivm h VAL 29 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1ivm h VAL 29 Cb 0.67 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1ivm h VAL 29 CO 0.15 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.85 1ivm h LEU 31 N 0.26 -1.07 -2.26 0.00 5.85 0.28 0.36 115.31 118.72 1ivm h LEU 31 Ca 0.25 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1ivm h LEU 31 Cb 0.32 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1ivm h LEU 31 CO -0.31 -0.45 -0.04 0.00 -0.34 0.00 0.00 178.44 177.29 1ivm h ALA 32 N -0.04 1.45 0.15 1.25 0.00 0.20 -0.40 119.26 121.85 1ivm h ALA 32 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ivm h ALA 32 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ivm h ALA 32 CO -0.21 0.06 -0.07 0.37 0.00 0.00 0.00 179.25 179.40 1ivm h GLN 33 N 0.00 -0.19 0.00 0.00 -0.00 0.40 0.30 115.11 115.62 1ivm h GLN 33 Ca -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1ivm h GLN 33 Cb 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 1ivm h GLN 33 CO 0.01 0.18 -0.10 1.25 0.00 0.00 0.00 178.83 180.17 1ivm h HIS 34 N -0.60 0.00 0.08 3.99 2.76 0.11 -3.20 115.15 118.29 1ivm h HIS 34 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1ivm h HIS 34 CO 0.05 0.10 -0.04 0.93 -1.30 0.00 0.00 177.93 177.67 1ivm h GLU 35 N 0.00 -0.10 0.00 5.26 4.39 -0.88 -3.49 114.58 119.75 1ivm h GLU 35 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ivm h GLU 35 Cb 0.42 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1ivm h GLU 35 CO 0.01 -0.07 0.00 0.45 -1.16 0.00 0.00 179.01 178.24 1ivm n SER 36 N -3.58 -0.83 -0.98 1.42 2.88 0.93 -4.81 113.62 108.65 1ivm n SER 36 Ca -0.01 0.20 0.13 0.00 -1.33 0.00 0.00 58.87 57.86 1ivm n SER 36 Cb 0.04 1.09 -0.04 0.00 -0.75 0.00 0.00 64.21 64.56 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.55 -5.82 0.00 -3.46 2.85 -0.37 -4.69 115.26 101.22 1ivm n ASN 37 Ca 0.00 0.51 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1ivm n ASN 37 Cb 0.00 -3.03 0.00 0.00 1.24 0.00 0.00 39.78 37.99 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1ivm n TYR 38 N -3.40 0.00 -4.82 1.20 4.02 0.75 -4.61 117.16 110.30 1ivm n TYR 38 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.55 1ivm n TYR 38 Cb 0.45 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.64 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ivm s ASN 39 N 0.00 4.11 -0.63 7.72 -0.87 -1.26 0.21 114.94 124.21 1ivm s ASN 39 Ca 0.00 -0.21 0.01 0.00 -1.57 0.00 0.00 52.86 51.09 1ivm s ASN 39 Cb 0.00 -1.13 0.40 0.00 -0.02 0.00 0.00 41.25 40.50 1ivm s ASN 39 CO 0.00 0.29 1.67 1.07 -2.57 0.00 0.00 177.10 177.56 1ivm n THR 40 N 2.68 3.12 -1.04 1.60 5.66 0.47 -4.48 114.28 122.31 1ivm n THR 40 Ca -0.18 -4.24 0.09 0.00 -3.05 0.00 0.00 64.05 56.68 1ivm n THR 40 Cb 0.52 -1.22 0.13 0.00 -1.55 0.00 0.00 70.33 68.21 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 -0.61 1.34 -1.69 1.09 0.63 -1.26 -4.49 116.66 111.66 1ivm n ARG 41 Ca 0.50 -2.49 -0.55 0.00 -0.92 0.00 0.00 57.85 54.40 1ivm n ARG 41 Cb 0.52 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 31.91 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 -1.36 0.20 -3.63 5.13 0.00 -1.26 -4.82 120.51 114.77 1ivm n ALA 42 Ca 0.15 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1ivm n ALA 42 Cb 0.62 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 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 3.94 -0.02 -0.28 0.00 -4.23 -1.23 0.75 115.64 114.57 1ivm s THR 43 Ca 0.98 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 1ivm s THR 43 Cb -0.95 -0.54 0.15 0.00 1.34 0.00 0.00 72.50 72.50 1ivm s THR 43 CO 0.61 0.04 0.39 0.21 -0.54 0.00 0.00 174.62 175.32 1ivm s ASN 44 N 1.16 0.51 0.27 3.99 2.47 0.62 -4.94 114.94 119.02 1ivm s ASN 44 Ca -0.08 -0.25 -0.13 0.00 0.42 0.00 0.00 52.86 52.82 1ivm s ASN 44 Cb -0.08 1.03 -0.08 0.00 -1.45 0.00 0.00 41.25 40.67 1ivm s ASN 44 CO -0.10 -0.34 0.66 -0.47 -3.72 0.00 0.00 177.10 173.13 1ivm s TYR 45 N 2.52 3.43 -0.29 0.43 6.14 -1.26 0.18 117.35 128.50 1ivm s TYR 45 Ca 0.11 1.10 0.01 0.00 0.64 0.00 0.00 57.07 58.93 1ivm s TYR 45 Cb -0.13 -2.44 0.19 0.00 0.42 0.00 0.00 41.96 40.00 1ivm s TYR 45 CO -0.26 0.20 0.65 -0.80 0.64 0.00 0.00 175.55 175.98 1ivm s ASN 46 N -2.21 -1.41 0.10 4.32 -0.87 -0.55 -4.93 114.94 109.40 1ivm s ASN 46 Ca 0.50 0.41 0.03 0.00 -1.57 0.00 0.00 52.86 52.22 1ivm s ASN 46 Cb -0.11 1.99 -0.24 0.00 -0.02 0.00 0.00 41.25 42.87 1ivm s ASN 46 CO 0.19 -0.26 1.22 -0.09 -2.57 0.00 0.00 177.10 175.59 1ivm h ARG 47 N 7.94 0.11 -0.89 -0.60 1.12 -1.95 0.17 114.38 120.27 1ivm h ARG 47 Ca -0.09 -0.18 0.32 0.00 -1.11 0.00 0.00 59.98 58.91 1ivm h ARG 47 Cb 1.18 0.07 -0.16 0.00 -0.01 0.00 0.00 29.97 31.04 1ivm h ARG 47 CO 0.15 1.08 0.28 0.41 -3.11 0.00 0.00 179.97 178.78 1ivm n GLY 48 N 1.43 -0.91 0.69 2.80 0.00 -1.26 0.19 105.19 108.12 1ivm n GLY 48 Ca -0.04 0.79 0.04 0.00 0.00 0.00 0.00 46.02 46.82 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -5.14 1.88 -3.85 1.61 2.03 -1.25 -4.97 116.55 106.86 1ivm n ASP 49 Ca 0.28 -3.89 -0.27 0.00 0.52 0.00 0.00 54.79 51.44 1ivm n ASP 49 Cb 0.95 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.09 -0.72 -3.83 -0.67 -0.06 0.52 -4.89 117.38 106.64 1ivm n GLN 50 Ca 0.20 -0.04 -0.12 0.00 -2.00 0.00 0.00 57.00 55.05 1ivm n GLN 50 Cb 0.71 -1.88 -0.09 0.00 -4.06 0.00 0.00 30.24 24.91 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 -3.97 -0.04 0.07 1.69 1.04 0.58 -4.68 113.70 108.38 1ivm s SER 51 Ca 0.17 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.49 1ivm s SER 51 Cb -0.09 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1ivm s SER 51 CO 0.67 -0.42 -0.08 -0.89 0.98 0.00 0.00 173.24 173.50 1ivm s THR 52 N -1.49 0.70 -0.34 2.02 2.01 -1.26 -1.48 115.64 115.80 1ivm s THR 52 Ca -0.13 -1.50 0.02 0.00 0.31 0.00 0.00 61.69 60.39 1ivm s THR 52 Cb -0.06 -1.15 0.10 0.00 0.01 0.00 0.00 72.50 71.40 1ivm s THR 52 CO 0.02 -0.58 0.08 -1.81 -0.69 0.00 0.00 174.62 171.64 1ivm s ASP 53 N -2.27 4.49 0.19 3.53 1.11 0.48 0.29 116.67 124.49 1ivm s ASP 53 Ca 0.01 -2.02 0.08 0.00 0.18 0.00 0.00 52.55 50.80 1ivm s ASP 53 Cb -0.03 -1.36 -0.04 0.00 1.07 0.00 0.00 42.92 42.55 1ivm s ASP 53 CO -0.01 -0.39 -0.15 -0.31 1.18 0.00 0.00 175.17 175.49 1ivm s TYR 54 N 1.09 1.72 0.00 4.23 1.51 0.14 0.23 117.35 126.28 1ivm s TYR 54 Ca 0.11 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1ivm s TYR 54 Cb -0.19 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1ivm s TYR 54 CO -0.13 0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.06 1ivm n GLY 55 N -0.15 2.29 0.40 0.71 0.00 0.23 0.64 105.19 109.31 1ivm n GLY 55 Ca -0.10 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.44 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.73 -0.30 -0.61 2.10 -1.79 0.88 117.51 118.52 1ivm h ILE 56 Ca 0.00 -0.09 -0.03 0.00 1.08 0.00 0.00 64.86 65.82 1ivm h ILE 56 Cb 0.00 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.15 1ivm h ILE 56 CO 0.00 0.05 0.04 0.49 -1.08 0.00 0.00 178.15 177.65 1ivm n PHE 57 N -4.43 1.06 -3.85 2.19 3.72 -1.26 -3.48 117.46 111.40 1ivm n PHE 57 Ca 0.15 -0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 56.80 1ivm n PHE 57 Cb 0.64 -0.34 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.22 -1.24 -3.25 -1.08 -0.06 0.31 -4.89 117.38 107.38 1ivm n GLN 58 Ca 0.15 0.60 -0.39 0.00 -2.00 0.00 0.00 57.00 55.37 1ivm n GLN 58 Cb 0.75 -2.37 -0.06 0.00 -4.06 0.00 0.00 30.24 24.50 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ivm s ILE 59 N -3.12 5.02 0.11 1.69 1.01 0.21 -4.79 121.20 121.34 1ivm s ILE 59 Ca 0.12 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 1ivm s ILE 59 Cb -0.06 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1ivm s ILE 59 CO 0.91 0.38 1.05 0.21 0.00 0.00 0.00 174.94 177.50 1ivm s ASN 60 N 0.10 7.33 0.00 3.58 3.84 -1.25 0.28 114.94 128.82 1ivm s ASN 60 Ca 0.29 1.92 0.19 0.00 0.21 0.00 0.00 52.86 55.47 1ivm s ASN 60 Cb -0.17 -2.59 0.64 0.00 -0.55 0.00 0.00 41.25 38.58 1ivm s ASN 60 CO 0.15 -0.21 1.48 -1.20 -2.79 0.00 0.00 177.10 174.52 1ivm n SER 61 N 2.97 1.86 0.08 -4.21 7.64 0.84 -1.69 113.62 121.12 1ivm n SER 61 Ca 0.04 -1.79 0.11 0.00 1.01 0.00 0.00 58.87 58.24 1ivm n SER 61 Cb 0.48 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1ivm n SER 61 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ivm n ARG 62 N 0.46 0.62 0.00 1.43 0.63 -1.26 -4.60 116.66 113.94 1ivm n ARG 62 Ca 0.16 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1ivm n ARG 62 Cb 0.35 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.48 1ivm n ARG 62 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ivm n TYR 63 N -2.62 0.00 -4.20 -0.14 4.01 -1.23 -3.57 117.16 109.41 1ivm n TYR 63 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1ivm n TYR 63 Cb 0.57 0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.98 2.85 0.43 -0.72 0.51 -0.68 -1.03 118.94 118.32 1ivm s TRP 64 Ca 0.00 -0.13 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 1ivm s TRP 64 Cb 0.00 -1.38 0.00 0.00 -0.81 0.00 0.00 33.47 31.28 1ivm s TRP 64 CO 0.00 0.52 0.00 0.00 -0.51 0.00 0.00 176.95 176.96 1ivm n ASN 66 N -4.23 0.00 0.02 0.00 5.15 0.04 -4.24 115.26 111.99 1ivm n ASN 66 Ca -0.05 -0.79 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1ivm n ASN 66 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ivm n ASP 67 N -0.85 0.28 0.00 1.20 2.03 -1.26 -0.59 116.55 117.36 1ivm n ASP 67 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1ivm n ASP 67 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ivm n GLY 68 N 2.98 1.01 0.01 0.27 0.00 -1.26 -4.92 105.19 103.27 1ivm n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.21 0.61 -3.85 1.61 4.81 -1.26 -4.74 118.16 115.13 1ivm n LYS 69 Ca 0.00 -0.13 -0.30 0.00 -0.87 0.00 0.00 58.31 57.01 1ivm n LYS 69 Cb 0.00 -1.46 -0.14 0.00 0.02 0.00 0.00 35.03 33.46 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 -3.23 2.02 -1.11 3.15 2.01 -1.26 -5.02 115.64 112.21 1ivm s THR 70 Ca -0.03 -2.89 -0.17 0.00 0.31 0.00 0.00 61.69 58.91 1ivm s THR 70 Cb 0.13 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1ivm s THR 70 CO 0.82 -0.82 2.12 -0.81 -0.69 0.00 0.00 174.62 175.23 1ivm n PRO 71 N 3.41 2.22 0.01 4.92 -0.04 -1.26 -3.56 135.00 140.68 1ivm n PRO 71 Ca 0.06 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1ivm n PRO 71 Cb 0.34 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 6.30 0.00 -0.94 0.54 0.63 -1.26 -5.12 116.66 116.81 1ivm n ARG 72 Ca 0.52 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 57.08 1ivm n ARG 72 Cb 0.37 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.34 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 73 N -2.53 -5.13 -2.64 5.13 0.00 -1.23 -4.90 120.51 109.21 1ivm n ALA 73 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.20 1ivm n ALA 73 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -3.15 2.62 -1.53 0.00 3.14 -1.23 -5.02 118.33 113.16 1ivm n VAL 74 Ca -0.01 -5.16 -0.32 0.00 -2.96 0.00 0.00 64.34 55.89 1ivm n VAL 74 Cb 0.63 -1.31 -0.11 0.00 -1.06 0.00 0.00 33.84 31.99 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 -0.40 0.97 0.07 6.55 6.94 -0.92 -4.45 115.26 124.02 1ivm n ASN 75 Ca 0.36 -0.45 0.08 0.00 -0.02 0.00 0.00 54.58 54.55 1ivm n ASN 75 Cb 0.57 -1.22 0.38 0.00 -2.36 0.00 0.00 39.78 37.15 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 13.01 1.50 -0.01 -2.53 0.00 -0.19 -1.57 120.51 130.72 1ivm n ALA 76 Ca 0.53 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.84 1ivm n ALA 76 Cb 0.29 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 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 1.87 -0.35 3.56 0.00 0.00 -0.61 -4.94 105.19 104.72 1ivm n GLY 78 Ca -0.28 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.25 -0.61 -0.00 -1.26 -5.04 121.20 110.78 1ivm s ILE 79 Ca 0.18 -1.46 -0.21 0.00 -0.00 0.00 0.00 60.65 59.16 1ivm s ILE 79 Cb -0.02 -2.42 -0.02 0.00 -0.00 0.00 0.00 42.46 40.00 1ivm s ILE 79 CO 0.51 0.00 0.65 0.20 -0.00 0.00 0.00 174.94 176.30 1ivm s ASN 80 N -3.10 6.62 0.54 4.36 0.01 -1.26 -0.78 114.94 121.32 1ivm s ASN 80 Ca 0.25 0.76 0.38 0.00 -0.71 0.00 0.00 52.86 53.54 1ivm s ASN 80 Cb -0.01 -2.35 1.56 0.00 0.41 0.00 0.00 41.25 40.86 1ivm s ASN 80 CO 0.13 -0.37 1.77 0.00 -1.51 0.00 0.00 177.10 177.12 1ivm h SER 82 N 0.02 0.95 0.09 0.00 0.87 -1.91 0.40 113.55 113.97 1ivm h SER 82 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 1ivm h SER 82 Cb 2.44 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 1ivm h SER 82 CO -0.03 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 176.89 1ivm h ALA 83 N 1.49 1.00 -0.62 6.23 0.00 0.17 0.70 119.26 128.23 1ivm h ALA 83 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ivm h ALA 83 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ivm h ALA 83 CO -0.14 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1ivm n LEU 84 N -2.31 4.27 -0.79 0.00 4.77 0.14 -4.07 117.00 119.00 1ivm n LEU 84 Ca -0.01 -2.29 0.04 0.00 -0.03 0.00 0.00 56.01 53.72 1ivm n LEU 84 Cb 0.06 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1ivm n LEU 84 CO 0.11 0.85 0.26 -0.11 -1.33 0.00 0.00 177.39 177.18 1ivm n LEU 85 N 1.13 1.25 0.00 2.23 7.94 0.24 -4.26 117.00 125.53 1ivm n LEU 85 Ca 0.24 -2.25 0.00 0.00 -1.11 0.00 0.00 56.01 52.89 1ivm n LEU 85 Cb 0.76 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1ivm n LEU 85 CO 0.19 0.63 0.00 0.00 -1.11 0.00 0.00 177.39 177.11 1ivm n GLN 86 N -0.29 1.27 0.02 1.96 6.02 -1.13 -4.95 117.38 120.28 1ivm n GLN 86 Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.00 1ivm n GLN 86 Cb 0.84 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 32.04 1ivm n GLN 86 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1ivm h ASP 87 N 0.00 -0.13 -3.63 1.08 3.58 -1.94 -3.38 116.42 112.00 1ivm h ASP 87 Ca 0.00 -0.31 -0.51 0.00 0.42 0.00 0.00 57.03 56.63 1ivm h ASP 87 Cb 0.00 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1ivm h ASP 87 CO 0.00 0.47 0.41 -1.81 -2.88 0.00 0.00 179.24 175.43 1ivm s ASP 88 N -5.55 7.43 0.00 2.28 1.01 -1.26 -2.66 116.67 117.91 1ivm s ASP 88 Ca -0.09 1.98 0.21 0.00 0.71 0.00 0.00 52.55 55.36 1ivm s ASP 88 Cb -0.00 -2.60 0.90 0.00 1.01 0.00 0.00 42.92 42.23 1ivm s ASP 88 CO 0.33 -0.08 1.63 2.30 0.21 0.00 0.00 175.17 179.56 1ivm n ILE 89 N 2.18 0.13 -0.29 0.77 -5.35 -1.26 -4.19 119.36 111.35 1ivm n ILE 89 Ca 0.01 -0.24 0.07 0.00 -0.27 0.00 0.00 62.75 62.32 1ivm n ILE 89 Cb 0.47 0.19 0.19 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.62 0.24 -0.32 7.28 1.03 -1.92 1.13 112.91 121.97 1ivm h THR 90 Ca 0.00 -0.03 -0.12 0.00 -0.01 0.00 0.00 66.41 66.25 1ivm h THR 90 Cb 0.35 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 67.58 1ivm h THR 90 CO 0.00 0.01 -0.31 0.00 -0.01 0.00 0.00 175.52 175.21 1ivm h ALA 91 N 1.80 0.86 -0.16 0.00 0.00 -1.79 0.13 119.26 120.09 1ivm h ALA 91 Ca 0.46 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ivm h ALA 91 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ivm h ALA 91 CO -0.75 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.22 1ivm h ALA 92 N 1.08 0.20 -0.10 0.00 0.00 0.64 0.24 119.26 121.32 1ivm h ALA 92 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ivm h ALA 92 Cb 0.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ivm h ALA 92 CO 0.07 -0.26 0.02 0.82 0.00 0.00 0.00 179.25 179.90 1ivm h ILE 93 N 0.15 1.21 -0.63 0.00 2.04 0.89 0.79 117.51 121.95 1ivm h ILE 93 Ca 0.06 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.38 1ivm h ILE 93 Cb 0.08 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 1ivm h ILE 93 CO -0.01 0.18 0.23 -0.61 0.00 0.00 0.00 178.15 177.94 1ivm h GLN 94 N -0.06 0.39 -0.20 2.37 4.15 -0.56 0.56 115.11 121.77 1ivm h GLN 94 Ca 0.03 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1ivm h GLN 94 Cb 0.27 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1ivm h GLN 94 CO 0.00 0.26 -0.28 0.00 -1.93 0.00 0.00 178.83 176.87 1ivm h ALA 96 N 0.62 0.27 -0.35 0.00 0.00 0.19 1.30 119.26 121.29 1ivm h ALA 96 Ca 0.02 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1ivm h ALA 96 Cb 0.86 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ivm h ALA 96 CO 0.07 -0.45 -0.40 1.57 0.00 0.00 0.00 179.25 180.03 1ivm h LYS 97 N 0.00 0.89 0.00 0.00 2.10 0.13 0.13 116.57 119.81 1ivm h LYS 97 Ca 0.19 -0.49 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 1ivm h LYS 97 Cb 0.29 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1ivm h LYS 97 CO -0.41 1.13 -0.07 -0.09 -2.00 0.00 0.00 179.45 178.01 1ivm h ARG 98 N 0.69 0.00 0.00 0.07 2.43 0.11 0.35 114.38 118.03 1ivm h ARG 98 Ca 0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1ivm h ARG 98 Cb 1.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1ivm h ARG 98 CO 0.10 0.07 -0.48 0.28 -1.51 0.00 0.00 179.97 178.43 1ivm h VAL 99 N 0.00 0.51 -0.69 0.20 2.07 0.20 -3.35 116.25 115.19 1ivm h VAL 99 Ca -0.00 -1.50 0.15 0.00 0.82 0.00 0.00 66.70 66.17 1ivm h VAL 99 Cb 0.19 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ivm h VAL 99 CO 0.01 0.17 0.47 1.62 0.02 0.00 0.00 177.57 179.86 1ivm h VAL 100 N -1.00 0.77 -1.04 2.57 3.04 -0.60 0.15 116.25 120.14 1ivm h VAL 100 Ca -0.08 -0.10 0.30 0.00 -1.01 0.00 0.00 66.70 65.81 1ivm h VAL 100 Cb 0.65 0.47 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 1ivm h VAL 100 CO -0.05 0.05 0.90 -0.09 -1.01 0.00 0.00 177.57 177.37 1ivm h ARG 101 N 0.28 0.00 -7.49 4.17 1.12 -0.43 -3.33 114.38 108.70 1ivm h ARG 101 Ca 0.33 0.00 -0.42 0.00 -1.11 0.00 0.00 59.98 58.78 1ivm h ARG 101 Cb 0.91 0.00 0.18 0.00 -0.01 0.00 0.00 29.97 31.06 1ivm h ARG 101 CO -0.08 0.00 0.20 -0.51 -3.11 0.00 0.00 179.97 176.47 1ivm s ASP 102 N -4.67 1.47 0.00 -3.80 1.11 0.53 -4.90 116.67 106.41 1ivm s ASP 102 Ca -0.04 0.56 0.24 0.00 0.18 0.00 0.00 52.55 53.48 1ivm s ASP 102 Cb 0.19 -0.76 1.35 0.00 1.07 0.00 0.00 42.92 44.77 1ivm s ASP 102 CO 0.67 -3.78 1.78 -0.81 1.18 0.00 0.00 175.17 174.22 1ivm n PRO 103 N -4.51 0.62 0.33 8.23 -0.04 -1.26 -3.63 135.00 134.73 1ivm n PRO 103 Ca 0.13 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1ivm n PRO 103 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.83 -0.52 0.54 1.08 -1.85 -3.50 115.11 110.03 1ivm h GLN 104 Ca 0.00 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1ivm h GLN 104 Cb 0.07 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1ivm h GLN 104 CO 0.00 -0.55 -0.15 0.41 -0.95 0.00 0.00 178.83 177.58 1ivm n GLY 105 N -0.80 -2.89 0.67 3.46 0.00 -1.24 -4.21 105.19 100.18 1ivm n GLY 105 Ca -0.11 -1.29 0.49 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.05 0.05 -1.38 -0.61 1.08 -1.95 0.48 117.51 115.14 1ivm h ILE 106 Ca -0.01 0.00 0.47 0.00 -0.39 0.00 0.00 64.86 64.93 1ivm h ILE 106 Cb 0.16 0.05 -0.13 0.00 -3.07 0.00 0.00 36.82 33.83 1ivm h ILE 106 CO 0.00 0.00 0.89 -1.14 -0.69 0.00 0.00 178.15 177.22 1ivm n ARG 107 N -3.88 -0.03 -0.46 2.37 0.63 -1.26 0.17 116.66 114.19 1ivm n ARG 107 Ca 0.40 1.22 0.38 0.00 -0.92 0.00 0.00 57.85 58.93 1ivm n ARG 107 Cb 1.88 -2.42 0.66 0.00 0.45 0.00 0.00 32.46 33.03 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 1.53 2.83 -0.62 5.13 0.00 -0.19 0.47 119.26 128.41 1ivm h ALA 108 Ca 0.87 0.10 -0.67 0.00 0.00 0.00 0.00 54.91 55.20 1ivm h ALA 108 Cb 2.83 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 20.67 1ivm h ALA 108 CO -0.44 -1.44 1.81 0.91 0.00 0.00 0.00 179.25 180.09 1ivm n TRP 109 N -4.62 2.30 -0.63 0.00 8.01 0.45 -4.70 117.44 118.25 1ivm n TRP 109 Ca 0.37 -2.56 0.50 0.00 -1.31 0.00 0.00 57.50 54.50 1ivm n TRP 109 Cb 1.47 -1.69 0.79 0.00 -2.01 0.00 0.00 31.31 29.86 1ivm n TRP 109 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1ivm h VAL 110 N 2.42 0.04 -0.73 -0.99 2.07 -0.26 0.74 116.25 119.55 1ivm h VAL 110 Ca 0.61 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.28 1ivm h VAL 110 Cb 0.43 0.04 -0.14 0.00 -1.52 0.00 0.00 31.29 30.10 1ivm h VAL 110 CO 1.30 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 178.70 1ivm h ALA 111 N 1.00 0.47 -0.97 1.67 0.00 -1.84 1.46 119.26 121.04 1ivm h ALA 111 Ca 0.87 0.28 0.08 0.00 0.00 0.00 0.00 54.91 56.14 1ivm h ALA 111 Cb 3.57 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 21.86 1ivm h ALA 111 CO -0.01 -0.42 0.63 2.35 0.00 0.00 0.00 179.25 181.80 1ivm h TRP 112 N -0.01 1.13 0.00 0.00 7.01 0.15 0.70 115.95 124.93 1ivm h TRP 112 Ca 0.35 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.38 1ivm h TRP 112 Cb 0.54 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1ivm h TRP 112 CO -0.59 0.55 0.00 -0.09 -2.79 0.00 0.00 178.44 175.52 1ivm h ARG 113 N 1.07 0.00 -0.13 2.65 2.43 0.19 1.11 114.38 121.70 1ivm h ARG 113 Ca 0.44 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.47 1ivm h ARG 113 Cb 0.28 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.66 1ivm h ARG 113 CO -0.19 0.00 -0.71 0.00 -1.51 0.00 0.00 179.97 177.56 1ivm n ALA 114 N -1.80 3.49 0.00 2.80 0.00 0.23 -4.34 120.51 120.89 1ivm n ALA 114 Ca -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1ivm n ALA 114 Cb 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.65 -0.72 -0.09 0.00 -0.00 -0.05 -4.96 115.22 108.76 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 0.84 0.27 -0.07 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 -4.53 2.18 0.15 0.00 1.13 -1.00 -3.34 117.38 111.96 1ivm n GLN 117 Ca -0.19 -1.31 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 1ivm n GLN 117 Cb 0.47 -2.28 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 3.41 -1.25 -1.90 1.08 2.85 -1.26 -4.76 115.26 113.42 1ivm n ASN 118 Ca 0.46 0.54 -0.00 0.00 -0.11 0.00 0.00 54.58 55.47 1ivm n ASN 118 Cb 0.38 1.32 -0.00 0.00 1.24 0.00 0.00 39.78 42.72 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 -3.34 1.75 -2.88 1.20 3.00 -1.21 -5.08 116.66 110.11 1ivm n ARG 119 Ca 0.00 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.85 57.39 1ivm n ARG 119 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 32.46 32.43 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ivm s ASP 120 N -1.02 6.19 -0.13 6.15 -1.08 -1.26 -4.83 116.67 120.70 1ivm s ASP 120 Ca 0.00 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 51.11 1ivm s ASP 120 Cb 0.00 -2.41 0.65 0.00 -1.46 0.00 0.00 42.92 39.70 1ivm s ASP 120 CO 0.00 -1.40 1.53 -0.11 0.52 0.00 0.00 175.17 175.71 1ivm n LEU 121 N 7.57 4.43 0.10 -1.34 -0.00 -1.26 -4.07 117.00 122.44 1ivm n LEU 121 Ca -0.03 -2.24 -0.02 0.00 -0.00 0.00 0.00 56.01 53.72 1ivm n LEU 121 Cb 0.45 -0.57 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 1ivm n LEU 121 CO 0.63 0.68 0.32 0.28 -0.00 0.00 0.00 177.39 179.30 1ivm h SER 122 N 3.53 0.00 0.42 1.96 0.02 -1.93 -3.09 113.55 114.46 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1ivm h SER 122 CO 0.26 0.73 0.00 1.67 -1.14 0.00 0.00 176.83 178.36 1ivm n GLN 123 N -3.30 0.17 0.13 3.45 7.27 -1.26 0.12 117.38 123.97 1ivm n GLN 123 Ca 0.01 0.51 0.01 0.00 0.07 0.00 0.00 57.00 57.61 1ivm n GLN 123 Cb 0.82 -1.90 0.04 0.00 2.41 0.00 0.00 30.24 31.61 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.00 0.00 3.69 3.20 -1.83 -3.32 116.97 118.70 1ivm h TYR 124 Ca 0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 1ivm h TYR 124 Cb 0.21 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 1ivm h TYR 124 CO 0.00 0.56 -2.30 0.44 -1.64 0.00 0.00 178.16 175.22 1ivm n ILE 125 N -3.28 1.31 -2.42 1.81 -5.35 -0.45 -4.70 119.36 106.29 1ivm n ILE 125 Ca 0.01 -0.65 -0.43 0.00 -0.27 0.00 0.00 62.75 61.42 1ivm n ILE 125 Cb 0.74 -0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 37.69 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 -2.46 4.28 0.00 6.28 6.06 0.12 -2.62 118.95 130.61 1ivm s ARG 126 Ca -0.21 1.70 0.00 0.00 -2.50 0.00 0.00 55.73 54.72 1ivm s ARG 126 Cb 0.07 -3.67 0.00 0.00 0.06 0.00 0.00 34.95 31.41 1ivm s ARG 126 CO 0.65 -0.59 0.00 -1.71 -2.50 0.00 0.00 175.30 171.14 1ivm n ASN 127 N 5.96 -0.91 -0.07 -2.12 5.15 -1.26 -4.74 115.26 117.26 1ivm n ASN 127 Ca 0.13 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 127 Cb 0.45 -0.44 -0.15 0.00 -0.53 0.00 0.00 39.78 39.12 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 1.81 1.16 0.48 0.00 0.00 -1.26 -4.84 105.19 102.53 1ivm n GLY 129 Ca -0.31 0.00 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