#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp s ARG 2 N 0.00 2.77 -0.26 2.12 3.00 -1.26 -4.83 118.95 120.48 1irp s ARG 2 Ca 0.00 -1.45 -0.32 0.00 -1.00 0.00 0.00 55.73 52.96 1irp s ARG 2 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 34.95 30.90 1irp s ARG 2 CO 0.00 -1.02 2.16 -2.30 0.00 0.00 0.00 175.30 174.15 1irp n PRO 3 N 5.05 1.57 -2.78 5.12 -0.02 -1.26 -2.42 135.00 140.25 1irp n PRO 3 Ca -0.11 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1irp n PRO 3 Cb 0.43 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1irp n PRO 3 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1irp s SER 4 N 7.28 6.90 -0.27 2.55 0.01 -1.24 -4.78 113.70 124.14 1irp s SER 4 Ca 1.04 1.07 -0.12 0.00 1.31 0.00 0.00 55.95 59.24 1irp s SER 4 Cb -0.63 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.07 1irp s SER 4 CO 0.44 -0.65 0.26 -0.83 0.41 0.00 0.00 173.24 172.86 1irp s GLY 5 N 1.42 1.91 -0.06 3.44 0.00 -1.26 -5.06 107.32 107.71 1irp s GLY 5 Ca 0.39 -0.99 -0.34 0.00 0.00 0.00 0.00 44.72 43.78 1irp s GLY 5 CO 0.10 0.76 1.85 -0.96 0.00 0.00 0.00 173.10 174.84 1irp n ARG 6 N 5.14 2.18 -3.21 2.90 1.85 -1.26 -2.31 116.66 121.95 1irp n ARG 6 Ca -0.12 0.80 -0.14 0.00 -1.00 0.00 0.00 57.85 57.38 1irp n ARG 6 Cb 0.52 -2.63 0.08 0.00 -1.05 0.00 0.00 32.46 29.37 1irp n ARG 6 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1irp n LYS 7 N 6.25 -5.30 -3.56 2.89 5.02 -1.26 -5.06 118.16 117.14 1irp n LYS 7 Ca 0.22 0.73 -0.16 0.00 -2.02 0.00 0.00 58.31 57.08 1irp n LYS 7 Cb 0.29 -5.38 -0.06 0.00 -0.02 0.00 0.00 35.03 29.87 1irp n LYS 7 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1irp s SER 8 N -4.08 -0.54 -1.41 4.39 1.04 -0.98 -5.10 113.70 107.03 1irp s SER 8 Ca 0.04 0.45 -0.15 0.00 0.48 0.00 0.00 55.95 56.77 1irp s SER 8 Cb -0.01 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1irp s SER 8 CO 0.63 -0.64 2.10 -1.54 0.98 0.00 0.00 173.24 174.76 1irp n SER 9 N 0.74 4.18 -2.90 7.02 3.41 -1.26 -4.70 113.62 120.10 1irp n SER 9 Ca -0.19 -2.87 -0.18 0.00 -0.26 0.00 0.00 58.87 55.37 1irp n SER 9 Cb 0.58 -1.67 -0.01 0.00 -0.26 0.00 0.00 64.21 62.85 1irp n SER 9 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1irp n LYS 10 N 6.50 1.70 -3.62 4.33 5.02 -1.26 -5.07 118.16 125.76 1irp n LYS 10 Ca 0.51 -3.72 -0.15 0.00 -2.02 0.00 0.00 58.31 52.92 1irp n LYS 10 Cb 0.40 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 1irp n LYS 10 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1irp s MET 11 N -2.95 0.13 -0.35 1.97 1.75 -1.26 -3.80 119.30 114.80 1irp s MET 11 Ca 0.38 0.58 -0.00 0.00 -1.25 0.00 0.00 55.69 55.40 1irp s MET 11 Cb 0.38 -0.36 0.13 0.00 2.84 0.00 0.00 34.83 37.82 1irp s MET 11 CO -0.07 -0.38 0.19 -0.65 -0.65 0.00 0.00 175.02 173.47 1irp s GLN 12 N 2.37 0.58 -0.21 4.11 -0.21 -1.26 -5.07 119.66 119.96 1irp s GLN 12 Ca 0.03 -1.25 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1irp s GLN 12 Cb -0.13 -1.42 0.11 0.00 1.00 0.00 0.00 33.01 32.57 1irp s GLN 12 CO -0.09 -1.16 0.33 0.00 -2.12 0.00 0.00 175.29 172.25 1irp s ALA 13 N 1.19 -0.85 0.09 6.09 0.00 -1.26 -1.64 121.76 125.38 1irp s ALA 13 Ca 0.16 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1irp s ALA 13 Cb -0.22 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1irp s ALA 13 CO -0.07 -1.09 0.06 1.97 0.00 0.00 0.00 175.76 176.64 1irp n PHE 14 N 5.36 -0.13 -3.01 0.00 1.16 -0.63 -4.62 117.46 115.57 1irp n PHE 14 Ca -0.05 -0.68 -0.43 0.00 -1.87 0.00 0.00 57.45 54.43 1irp n PHE 14 Cb 0.50 0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.36 1irp n PHE 14 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1irp s ARG 15 N -2.35 3.47 -0.36 3.97 3.52 0.48 -0.38 118.95 127.31 1irp s ARG 15 Ca 0.09 -0.07 -0.14 0.00 -0.13 0.00 0.00 55.73 55.48 1irp s ARG 15 Cb 0.00 -3.90 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1irp s ARG 15 CO 0.06 -1.00 0.26 0.96 -0.81 0.00 0.00 175.30 174.77 1irp s ILE 16 N 3.09 5.27 0.00 4.11 -4.36 -1.26 -1.99 121.20 126.06 1irp s ILE 16 Ca 0.28 -0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 1irp s ILE 16 Cb -0.13 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.80 1irp s ILE 16 CO 0.20 -0.10 0.00 -2.67 0.24 0.00 0.00 174.94 172.61 1irp n TRP 17 N 5.13 -0.14 -3.78 1.37 4.27 -0.65 -1.97 117.44 121.67 1irp n TRP 17 Ca -0.12 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.36 1irp n TRP 17 Cb 0.49 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.34 1irp n TRP 17 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 1irp s ASP 18 N 0.36 -0.25 0.65 -0.67 1.47 0.43 -0.01 116.67 118.65 1irp s ASP 18 Ca 0.00 0.40 0.32 0.00 1.18 0.00 0.00 52.55 54.45 1irp s ASP 18 Cb 0.00 0.50 1.72 0.00 -0.34 0.00 0.00 42.92 44.80 1irp s ASP 18 CO 0.00 -0.21 1.97 0.58 0.68 0.00 0.00 175.17 178.18 1irp h VAL 19 N 4.43 0.00 -0.09 2.11 2.07 -1.97 -2.41 116.25 120.40 1irp h VAL 19 Ca -0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1irp h VAL 19 Cb 1.19 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1irp h VAL 19 CO 0.35 0.00 0.07 0.59 0.02 0.00 0.00 177.57 178.60 1irp n ASN 20 N -2.89 4.64 -3.30 0.57 4.13 -1.26 -4.82 115.26 112.34 1irp n ASN 20 Ca -0.02 -2.39 -0.13 0.00 1.68 0.00 0.00 54.58 53.72 1irp n ASN 20 Cb 0.33 -0.90 0.03 0.00 -1.54 0.00 0.00 39.78 37.70 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp n GLN 21 N 0.94 -1.66 -3.84 3.52 1.13 -1.14 -5.06 117.38 111.28 1irp n GLN 21 Ca 0.05 1.03 -0.12 0.00 -1.94 0.00 0.00 57.00 56.02 1irp n GLN 21 Cb 0.55 -5.24 -0.13 0.00 0.11 0.00 0.00 30.24 25.54 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1irp s LYS 22 N -4.18 0.16 0.03 -1.09 1.02 -0.92 -4.66 119.74 110.11 1irp s LYS 22 Ca 0.25 0.07 -0.06 0.00 0.02 0.00 0.00 55.97 56.25 1irp s LYS 22 Cb -0.05 0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1irp s LYS 22 CO 0.78 -0.02 0.12 0.95 -0.92 0.00 0.00 175.35 176.25 1irp s THR 23 N -0.13 0.12 -0.36 2.17 -4.23 0.53 -0.42 115.64 113.32 1irp s THR 23 Ca -0.02 -1.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 1irp s THR 23 Cb -0.02 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 72.99 1irp s THR 23 CO 0.00 -0.56 0.53 0.12 -0.54 0.00 0.00 174.62 174.17 1irp s PHE 24 N -2.45 3.17 -0.07 3.99 2.19 -0.83 -1.04 117.98 122.95 1irp s PHE 24 Ca -0.06 0.16 -0.23 0.00 0.33 0.00 0.00 56.93 57.13 1irp s PHE 24 Cb -0.02 -2.96 0.05 0.00 -1.31 0.00 0.00 43.02 38.78 1irp s PHE 24 CO -0.04 -0.57 0.52 1.52 1.83 0.00 0.00 175.22 178.49 1irp s TYR 25 N 2.43 -0.48 -0.12 10.12 1.13 -0.95 -4.77 117.35 124.71 1irp s TYR 25 Ca 0.19 0.89 -0.05 0.00 -1.41 0.00 0.00 57.07 56.68 1irp s TYR 25 Cb -0.15 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1irp s TYR 25 CO 0.14 -0.47 0.07 -0.48 -2.51 0.00 0.00 175.55 172.30 1irp s LEU 26 N -0.95 3.95 -0.10 -3.49 2.34 -1.22 -0.43 118.68 118.78 1irp s LEU 26 Ca -0.10 0.26 -0.10 0.00 0.06 0.00 0.00 54.13 54.25 1irp s LEU 26 Cb -0.03 -1.95 -0.03 0.00 -0.56 0.00 0.00 46.19 43.62 1irp s LEU 26 CO 0.06 0.34 -0.20 -1.14 -1.06 0.00 0.00 176.35 174.35 1irp n ARG 27 N 2.40 0.31 -3.37 1.48 0.00 -1.26 -4.60 116.66 111.62 1irp n ARG 27 Ca -0.19 0.13 -0.26 0.00 -0.00 0.00 0.00 57.85 57.52 1irp n ARG 27 Cb 0.54 -1.04 -0.08 0.00 0.00 0.00 0.00 32.46 31.88 1irp n ARG 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1irp n ASN 28 N -3.63 3.22 -3.15 6.15 0.23 -1.26 -4.91 115.26 111.91 1irp n ASN 28 Ca -0.08 -3.34 -0.23 0.00 -0.53 0.00 0.00 54.58 50.41 1irp n ASN 28 Cb 0.30 -0.66 0.03 0.00 -2.08 0.00 0.00 39.78 37.36 1irp n ASN 28 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1irp n ASN 29 N 0.90 -5.57 -0.03 0.53 4.13 -1.26 -4.95 115.26 109.01 1irp n ASN 29 Ca 0.29 -0.33 0.06 0.00 1.68 0.00 0.00 54.58 56.27 1irp n ASN 29 Cb 0.43 -4.51 -0.15 0.00 -1.54 0.00 0.00 39.78 34.01 1irp n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp n GLN 30 N -4.03 0.68 -3.27 3.52 6.02 -1.26 -5.04 117.38 114.01 1irp n GLN 30 Ca -0.08 -0.14 -0.20 0.00 -0.01 0.00 0.00 57.00 56.56 1irp n GLN 30 Cb 0.60 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.41 1irp n GLN 30 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1irp n LEU 31 N -2.29 -4.92 -4.98 1.08 4.77 -1.26 -4.72 117.00 104.68 1irp n LEU 31 Ca -0.09 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 1irp n LEU 31 Cb 0.63 -2.49 0.01 0.00 -2.33 0.00 0.00 43.42 39.25 1irp n LEU 31 CO 0.41 -0.91 0.21 -0.69 -1.33 0.00 0.00 177.39 175.08 1irp s VAL 32 N -2.34 3.47 -0.03 4.08 1.01 0.43 -1.64 120.40 125.38 1irp s VAL 32 Ca 0.22 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1irp s VAL 32 Cb -0.04 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1irp s VAL 32 CO 0.82 -0.13 -0.22 0.00 0.00 0.00 0.00 175.10 175.58 1irp s ALA 33 N -2.46 1.84 0.00 5.51 0.00 -0.27 -2.23 121.76 124.15 1irp s ALA 33 Ca 0.51 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1irp s ALA 33 Cb -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1irp s ALA 33 CO 0.35 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.94 1irp n GLY 34 N 2.68 1.42 3.04 0.00 0.00 -0.20 -2.22 105.19 109.91 1irp n GLY 34 Ca -0.16 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1irp n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1irp s TYR 35 N 0.00 -1.34 0.00 1.61 1.51 -1.22 -0.34 117.35 117.57 1irp s TYR 35 Ca 0.00 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.12 1irp s TYR 35 Cb 0.00 0.22 0.00 0.00 -0.11 0.00 0.00 41.96 42.07 1irp s TYR 35 CO 0.00 -0.91 0.00 1.47 -1.11 0.00 0.00 175.55 175.00 1irp n LEU 36 N 5.39 0.00 -3.82 -1.29 -0.00 -0.76 -4.37 117.00 112.17 1irp n LEU 36 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 1irp n LEU 36 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1irp n LEU 36 CO 0.01 0.00 1.91 0.00 -0.00 0.00 0.00 177.39 179.31 1irp n GLN 37 N 0.00 3.91 -1.32 1.47 6.02 -1.26 -4.79 117.38 121.40 1irp n GLN 37 Ca 0.00 -3.66 0.00 0.00 -0.01 0.00 0.00 57.00 53.33 1irp n GLN 37 Cb 0.00 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 28.44 1irp n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1irp n GLY 38 N 2.40 -2.55 3.65 1.08 0.00 -1.26 -5.05 105.19 103.46 1irp n GLY 38 Ca 0.41 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1irp n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1irp n PRO 39 N 0.08 0.64 0.00 1.61 -0.02 -1.26 -5.02 135.00 131.03 1irp n PRO 39 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1irp n PRO 39 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1irp n PRO 39 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1irp n ASN 40 N -1.90 0.00 -3.60 2.55 5.03 -1.26 -5.17 115.26 110.91 1irp n ASN 40 Ca 0.14 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.50 1irp n ASN 40 Cb 0.49 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.19 1irp n ASN 40 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1irp s VAL 41 N 0.00 0.00 0.00 2.41 0.11 -1.26 -5.02 120.40 116.64 1irp s VAL 41 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1irp s VAL 41 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1irp s VAL 41 CO 0.00 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 1irp n ASN 42 N 1.18 0.00 -0.18 3.54 4.13 -1.26 -4.84 115.26 117.83 1irp n ASN 42 Ca -0.10 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.16 1irp n ASN 42 Cb 0.57 -0.05 0.24 0.00 -1.54 0.00 0.00 39.78 39.01 1irp n ASN 42 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1irp h LEU 43 N 0.00 0.82 -7.94 3.41 -0.00 -1.95 -3.34 115.31 106.32 1irp h LEU 43 Ca 0.00 -0.05 -0.69 0.00 -0.00 0.00 0.00 57.88 57.14 1irp h LEU 43 Cb 0.00 -0.21 -0.17 0.00 -0.00 0.00 0.00 40.66 40.28 1irp h LEU 43 CO 0.00 0.64 0.95 -1.83 -0.00 0.00 0.00 178.44 178.20 1irp s GLU 44 N -5.68 3.68 0.00 0.17 -1.05 -1.26 -3.41 118.70 111.14 1irp s GLU 44 Ca -0.11 -1.87 0.00 0.00 -0.15 0.00 0.00 54.97 52.84 1irp s GLU 44 Cb 0.17 -4.96 0.00 0.00 -0.44 0.00 0.00 34.13 28.90 1irp s GLU 44 CO 0.78 -1.79 0.00 0.39 0.95 0.00 0.00 175.26 175.59 1irp n GLU 45 N 6.50 0.00 -3.62 -4.83 1.02 -1.26 -5.09 120.64 113.36 1irp n GLU 45 Ca 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1irp n GLU 45 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.80 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1irp s LYS 46 N 0.00 0.29 0.01 3.49 -2.85 -1.26 -4.78 119.74 114.64 1irp s LYS 46 Ca 0.00 0.92 0.06 0.00 -1.00 0.00 0.00 55.97 55.95 1irp s LYS 46 Cb 0.00 0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1irp s LYS 46 CO 0.00 -0.31 -0.18 -1.50 0.10 0.00 0.00 175.35 173.47 1irp s ILE 47 N 2.57 1.39 0.00 3.79 -1.16 0.49 -1.91 121.20 126.37 1irp s ILE 47 Ca 0.01 -0.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.23 1irp s ILE 47 Cb -0.12 -1.19 0.00 0.00 0.61 0.00 0.00 42.46 41.75 1irp s ILE 47 CO -0.12 0.25 0.00 -0.67 -2.81 0.00 0.00 174.94 171.59 1irp n ASP 48 N 2.27 0.00 -3.85 4.50 2.03 -0.80 -1.61 116.55 119.09 1irp n ASP 48 Ca -0.16 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.06 1irp n ASP 48 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1irp n ASP 48 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1irp s VAL 49 N 1.98 0.02 -0.46 5.18 -7.23 -0.65 -1.74 120.40 117.50 1irp s VAL 49 Ca 0.00 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1irp s VAL 49 Cb 0.00 -1.83 0.12 0.00 0.56 0.00 0.00 36.38 35.23 1irp s VAL 49 CO 0.00 -0.09 0.26 -0.69 -0.31 0.00 0.00 175.10 174.27 1irp s VAL 50 N -3.93 3.38 0.36 1.32 1.01 -0.04 -4.50 120.40 118.00 1irp s VAL 50 Ca 0.14 -2.28 -0.27 0.00 0.00 0.00 0.00 61.98 59.57 1irp s VAL 50 Cb -0.01 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1irp s VAL 50 CO 0.02 -0.74 1.23 -2.84 0.00 0.00 0.00 175.10 172.77 1irp s PRO 51 N 0.85 4.25 0.34 2.72 0.02 -1.26 -2.02 135.00 139.90 1irp s PRO 51 Ca 0.10 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.23 1irp s PRO 51 Cb -0.22 -2.92 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 1irp s PRO 51 CO -0.04 -0.21 -0.00 0.42 -0.33 0.00 0.00 177.00 176.84 1irp s ILE 52 N -1.25 2.55 -0.03 2.83 -1.09 0.23 -4.73 121.20 119.71 1irp s ILE 52 Ca 0.52 -2.00 -0.25 0.00 -2.23 0.00 0.00 60.65 56.69 1irp s ILE 52 Cb -0.35 -2.78 -0.21 0.00 -1.58 0.00 0.00 42.46 37.54 1irp s ILE 52 CO 0.46 -0.19 1.15 -0.33 -1.23 0.00 0.00 174.94 174.80 1irp h GLU 53 N 1.83 0.11 -2.88 2.79 3.07 -1.99 -3.36 114.58 114.14 1irp h GLU 53 Ca -0.43 -0.08 -0.69 0.00 -0.50 0.00 0.00 59.36 57.66 1irp h GLU 53 Cb 1.25 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1irp h GLU 53 CO 0.68 0.71 3.43 -0.35 -1.40 0.00 0.00 179.01 182.08 1irp n PRO 54 N -4.68 3.98 -0.53 2.33 -0.04 -1.26 -4.71 135.00 130.09 1irp n PRO 54 Ca -0.09 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1irp n PRO 54 Cb 0.37 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1irp n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1irp n HIS 55 N 3.02 0.00 -2.89 0.54 8.25 -1.26 -4.97 115.22 117.92 1irp n HIS 55 Ca 0.74 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.90 1irp n HIS 55 Cb 0.23 -1.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.93 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irp s ALA 56 N -1.23 3.35 -0.17 -1.41 0.00 -1.26 -1.06 121.76 119.98 1irp s ALA 56 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 1irp s ALA 56 Cb 0.00 -2.71 0.14 0.00 0.00 0.00 0.00 23.12 20.55 1irp s ALA 56 CO 0.00 0.03 1.10 -0.48 0.00 0.00 0.00 175.76 176.41 1irp s LEU 57 N -3.75 -0.25 0.32 0.00 2.34 -0.03 -0.60 118.68 116.71 1irp s LEU 57 Ca 0.51 0.17 -0.00 0.00 0.06 0.00 0.00 54.13 54.87 1irp s LEU 57 Cb -0.10 1.62 -0.04 0.00 -0.56 0.00 0.00 46.19 47.11 1irp s LEU 57 CO 0.30 -0.30 0.53 -0.36 -1.06 0.00 0.00 176.35 175.45 1irp s PHE 58 N -1.74 3.49 0.30 3.48 0.40 -0.86 -1.01 117.98 122.05 1irp s PHE 58 Ca 0.04 0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1irp s PHE 58 Cb -0.01 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1irp s PHE 58 CO -0.03 0.17 0.44 -0.51 0.70 0.00 0.00 175.22 175.99 1irp s LEU 59 N -4.07 4.12 -0.24 -0.37 1.02 -0.91 -0.86 118.68 117.37 1irp s LEU 59 Ca 0.40 0.05 -0.21 0.00 0.02 0.00 0.00 54.13 54.40 1irp s LEU 59 Cb -0.10 -2.91 0.06 0.00 0.02 0.00 0.00 46.19 43.27 1irp s LEU 59 CO 0.34 -0.26 0.63 -0.83 0.02 0.00 0.00 176.35 176.24 1irp s GLY 60 N -4.07 -0.48 -0.23 -3.19 0.00 -0.71 -0.93 107.32 97.70 1irp s GLY 60 Ca 0.39 1.84 -0.15 0.00 0.00 0.00 0.00 44.72 46.80 1irp s GLY 60 CO 0.31 1.64 0.38 -0.42 0.00 0.00 0.00 173.10 175.01 1irp s ILE 61 N 0.53 5.19 0.39 0.90 -1.09 -0.76 -1.91 121.20 124.45 1irp s ILE 61 Ca -0.02 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1irp s ILE 61 Cb -0.05 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1irp s ILE 61 CO -0.02 0.21 0.00 1.41 -1.23 0.00 0.00 174.94 175.31 1irp n HIS 62 N 4.83 -2.98 -1.00 3.97 8.25 -0.80 -2.16 115.22 125.32 1irp n HIS 62 Ca -0.09 1.57 -0.30 0.00 -0.26 0.00 0.00 57.72 58.64 1irp n HIS 62 Cb 0.51 -2.71 -0.02 0.00 1.12 0.00 0.00 29.99 28.88 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irp n GLY 63 N -3.94 3.48 0.00 -1.41 0.00 -1.26 -4.20 105.19 97.86 1irp n GLY 63 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1irp n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irp n GLY 64 N 3.79 0.84 1.75 -0.02 0.00 -1.02 -3.69 105.19 106.84 1irp n GLY 64 Ca 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1irp n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irp n LYS 65 N 0.00 0.00 -4.78 1.61 3.00 -1.23 -4.61 118.16 112.15 1irp n LYS 65 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 1irp n LYS 65 Cb 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 35.03 34.74 1irp n LYS 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1irp s MET 66 N -2.00 1.86 -0.34 1.64 1.75 -0.92 -2.06 119.30 119.24 1irp s MET 66 Ca 0.00 -0.56 -0.21 0.00 -1.25 0.00 0.00 55.69 53.67 1irp s MET 66 Cb 0.00 -1.56 0.00 0.00 2.84 0.00 0.00 34.83 36.11 1irp s MET 66 CO 0.00 0.16 0.68 0.00 -0.65 0.00 0.00 175.02 175.20 1irp s LEU 68 N 2.78 4.87 0.15 0.00 2.01 -0.11 -0.66 118.68 127.72 1irp s LEU 68 Ca 0.27 -0.86 0.08 0.00 0.01 0.00 0.00 54.13 53.63 1irp s LEU 68 Cb -0.14 -2.49 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 1irp s LEU 68 CO 0.14 -0.94 -0.17 -0.94 1.01 0.00 0.00 176.35 175.45 1irp s SER 69 N 2.74 2.46 -1.01 2.29 1.04 -0.90 -2.14 113.70 118.18 1irp s SER 69 Ca 0.17 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.55 1irp s SER 69 Cb -0.18 -0.13 0.11 0.00 0.10 0.00 0.00 66.02 65.92 1irp s SER 69 CO 0.13 -0.08 1.28 0.00 0.98 0.00 0.00 173.24 175.55 1irp s VAL 71 N 3.14 4.90 -0.33 0.00 0.11 -0.45 -4.38 120.40 123.38 1irp s VAL 71 Ca 0.38 1.11 -0.12 0.00 -2.93 0.00 0.00 61.98 60.43 1irp s VAL 71 Cb -0.03 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 30.95 1irp s VAL 71 CO -0.07 0.50 0.22 -1.59 -3.33 0.00 0.00 175.10 170.82 1irp s LYS 72 N -0.67 3.50 -1.26 1.54 -2.85 -1.26 -2.11 119.74 116.63 1irp s LYS 72 Ca 0.28 -0.63 -0.10 0.00 -1.00 0.00 0.00 55.97 54.52 1irp s LYS 72 Cb -0.18 -3.74 0.18 0.00 -2.06 0.00 0.00 37.83 32.03 1irp s LYS 72 CO 0.16 -0.41 1.79 0.45 0.10 0.00 0.00 175.35 177.44 1irp n SER 73 N 5.07 5.17 -2.03 0.03 2.88 -0.22 -4.39 113.62 120.13 1irp n SER 73 Ca -0.13 -3.11 -0.06 0.00 -1.33 0.00 0.00 58.87 54.24 1irp n SER 73 Cb 0.50 -1.48 0.03 0.00 -0.75 0.00 0.00 64.21 62.51 1irp n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irp n GLY 74 N 2.91 0.13 3.75 0.46 0.00 -1.26 -4.08 105.19 107.11 1irp n GLY 74 Ca 0.39 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1irp n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1irp n ASP 75 N -1.97 -3.14 -3.71 1.61 8.00 -1.26 -5.01 116.55 111.07 1irp n ASP 75 Ca -0.07 -0.76 -0.30 0.00 0.71 0.00 0.00 54.79 54.38 1irp n ASP 75 Cb 0.56 -4.19 -0.14 0.00 -0.02 0.00 0.00 41.12 37.33 1irp n ASP 75 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1irp s GLU 76 N -6.20 1.05 -0.10 -1.24 -6.30 -1.26 -5.10 118.70 99.55 1irp s GLU 76 Ca 0.31 -1.64 -0.21 0.00 -2.50 0.00 0.00 54.97 50.94 1irp s GLU 76 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 34.13 31.76 1irp s GLU 76 CO 0.80 -1.10 0.58 0.99 0.02 0.00 0.00 175.26 176.56 1irp s THR 77 N 0.85 5.12 0.09 -1.70 2.01 -1.26 -1.06 115.64 119.70 1irp s THR 77 Ca 0.15 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 63.14 1irp s THR 77 Cb -0.22 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1irp s THR 77 CO -0.08 0.29 0.47 0.00 -0.69 0.00 0.00 174.62 174.60 1irp s ARG 78 N 0.74 1.07 0.03 4.92 1.04 -0.90 -4.99 118.95 120.87 1irp s ARG 78 Ca 0.31 -0.46 -0.30 0.00 -1.04 0.00 0.00 55.73 54.23 1irp s ARG 78 Cb -0.16 0.48 -0.06 0.00 -2.04 0.00 0.00 34.95 33.17 1irp s ARG 78 CO 0.14 -0.41 1.39 -1.17 -0.04 0.00 0.00 175.30 175.21 1irp s LEU 79 N -2.41 4.33 0.04 -1.89 1.98 -1.26 -1.34 118.68 118.13 1irp s LEU 79 Ca -0.01 2.17 -0.07 0.00 -2.89 0.00 0.00 54.13 53.32 1irp s LEU 79 Cb 0.00 -3.57 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 1irp s LEU 79 CO -0.07 -0.69 0.14 -1.58 -1.89 0.00 0.00 176.35 172.25 1irp s GLN 80 N 2.03 0.65 -0.95 1.98 2.00 -0.53 -4.94 119.66 119.90 1irp s GLN 80 Ca 0.64 -0.74 -0.16 0.00 -2.00 0.00 0.00 55.36 53.10 1irp s GLN 80 Cb -0.33 0.26 0.17 0.00 0.80 0.00 0.00 33.01 33.91 1irp s GLN 80 CO 0.28 -0.18 1.07 -0.48 -0.50 0.00 0.00 175.29 175.48 1irp s LEU 81 N -2.19 5.62 -0.55 3.68 0.05 -1.26 -2.11 118.68 121.91 1irp s LEU 81 Ca -0.04 -2.46 -0.28 0.00 0.05 0.00 0.00 54.13 51.40 1irp s LEU 81 Cb -0.00 -2.33 0.02 0.00 -2.05 0.00 0.00 46.19 41.82 1irp s LEU 81 CO -0.05 -0.83 1.35 -0.70 -0.55 0.00 0.00 176.35 175.56 1irp s GLU 82 N 1.56 3.40 -0.03 1.48 2.12 0.16 -4.89 118.70 122.51 1irp s GLU 82 Ca 0.30 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 1irp s GLU 82 Cb -0.06 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.21 1irp s GLU 82 CO -0.08 -1.82 1.16 0.00 -0.54 0.00 0.00 175.26 173.98 1irp s ALA 83 N 5.65 3.43 0.04 6.30 0.00 -1.26 -0.64 121.76 135.27 1irp s ALA 83 Ca 0.50 0.64 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1irp s ALA 83 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1irp s ALA 83 CO 0.26 -0.61 -0.24 0.08 0.00 0.00 0.00 175.76 175.25 1irp s VAL 84 N 1.80 2.35 -0.42 0.00 1.01 -0.87 -4.94 120.40 119.32 1irp s VAL 84 Ca 0.55 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1irp s VAL 84 Cb -0.25 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1irp s VAL 84 CO 0.24 0.37 0.75 0.54 0.00 0.00 0.00 175.10 177.00 1irp s ASN 85 N -1.27 6.43 -0.37 3.32 4.22 -1.26 -4.75 114.94 121.25 1irp s ASN 85 Ca 0.13 -0.02 -0.22 0.00 -2.14 0.00 0.00 52.86 50.61 1irp s ASN 85 Cb -0.10 -2.37 0.01 0.00 1.28 0.00 0.00 41.25 40.06 1irp s ASN 85 CO 0.03 -0.83 0.71 -0.51 -2.04 0.00 0.00 177.10 174.45 1irp s ILE 86 N 3.15 4.80 0.00 0.54 -1.16 -1.26 -4.67 121.20 122.59 1irp s ILE 86 Ca 0.29 0.66 0.00 0.00 -0.51 0.00 0.00 60.65 61.09 1irp s ILE 86 Cb -0.13 -4.16 0.00 0.00 0.61 0.00 0.00 42.46 38.78 1irp s ILE 86 CO 0.20 -0.42 0.00 1.07 -2.81 0.00 0.00 174.94 172.99 1irp n THR 87 N 5.73 0.00 -2.74 4.00 5.66 -1.26 -5.05 114.28 120.62 1irp n THR 87 Ca 0.01 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.94 1irp n THR 87 Cb 0.48 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.31 1irp n THR 87 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1irp n ASP 88 N -0.29 -2.81 -4.10 1.09 2.03 -1.26 -5.12 116.55 106.09 1irp n ASP 88 Ca 0.00 -2.97 -0.35 0.00 0.52 0.00 0.00 54.79 51.99 1irp n ASP 88 Cb 0.00 1.66 -0.12 0.00 -0.72 0.00 0.00 41.12 41.94 1irp n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1irp s LEU 89 N -0.22 5.13 0.00 -2.67 2.01 -1.26 -4.99 118.68 116.68 1irp s LEU 89 Ca 0.31 -2.04 0.30 0.00 0.01 0.00 0.00 54.13 52.70 1irp s LEU 89 Cb 0.17 -1.79 1.43 0.00 0.01 0.00 0.00 46.19 46.02 1irp s LEU 89 CO -0.18 -0.51 2.02 -1.54 1.01 0.00 0.00 176.35 177.15 1irp n SER 90 N 4.53 0.00 -4.55 2.29 3.41 -1.26 -4.79 113.62 113.24 1irp n SER 90 Ca -0.01 0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 1irp n SER 90 Cb 0.41 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1irp n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1irp s GLU 91 N -2.71 3.50 0.30 4.33 2.02 -1.26 -4.86 118.70 120.02 1irp s GLU 91 Ca 0.24 -0.96 0.16 0.00 0.02 0.00 0.00 54.97 54.43 1irp s GLU 91 Cb 0.20 -5.08 0.24 0.00 0.10 0.00 0.00 34.13 29.58 1irp s GLU 91 CO 0.48 -2.18 1.52 -0.97 0.02 0.00 0.00 175.26 174.14 1irp h ASN 92 N 9.81 0.00 -3.06 -0.19 -1.24 -1.97 -3.43 115.58 115.50 1irp h ASN 92 Ca 0.09 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.62 1irp h ASN 92 Cb 1.02 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.66 1irp h ASN 92 CO 1.38 0.48 -0.76 0.00 -1.29 0.00 0.00 177.43 177.25 1irp s ARG 93 N -3.13 0.22 -0.72 6.67 1.70 -1.26 -4.75 118.95 117.68 1irp s ARG 93 Ca 0.03 -0.26 -0.25 0.00 -0.47 0.00 0.00 55.73 54.78 1irp s ARG 93 Cb 0.09 -1.79 0.05 0.00 -0.57 0.00 0.00 34.95 32.73 1irp s ARG 93 CO 0.73 -0.73 1.17 0.15 -1.08 0.00 0.00 175.30 175.54 1irp s LYS 94 N 2.06 3.17 -0.64 3.89 -0.14 -1.26 -5.00 119.74 121.82 1irp s LYS 94 Ca 0.03 -0.49 -0.23 0.00 -1.36 0.00 0.00 55.97 53.91 1irp s LYS 94 Cb -0.16 -4.23 0.06 0.00 -1.68 0.00 0.00 37.83 31.82 1irp s LYS 94 CO -0.14 -2.03 0.99 -1.14 -0.76 0.00 0.00 175.35 172.28 1irp s GLN 95 N 5.09 3.17 0.22 1.68 0.74 -1.26 -4.82 119.66 124.47 1irp s GLN 95 Ca 0.31 -0.63 -0.09 0.00 0.05 0.00 0.00 55.36 54.99 1irp s GLN 95 Cb -0.11 -4.18 -0.01 0.00 1.10 0.00 0.00 33.01 29.81 1irp s GLN 95 CO 0.12 -1.77 0.36 0.34 -0.55 0.00 0.00 175.29 173.79 1irp s ASP 96 N 3.48 -0.01 -0.22 6.67 2.15 -1.26 -5.08 116.67 122.40 1irp s ASP 96 Ca 0.25 -1.00 0.16 0.00 0.43 0.00 0.00 52.55 52.39 1irp s ASP 96 Cb -0.15 0.51 0.47 0.00 -0.30 0.00 0.00 42.92 43.44 1irp s ASP 96 CO 0.13 -1.02 1.17 2.29 -0.17 0.00 0.00 175.17 177.57 1irp n LYS 97 N -0.32 2.10 0.08 4.34 2.85 -1.26 -4.59 118.16 121.37 1irp n LYS 97 Ca -0.02 -3.48 0.00 0.00 -1.05 0.00 0.00 58.31 53.76 1irp n LYS 97 Cb 0.63 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1irp n LYS 97 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1irp n ARG 98 N -0.55 0.00 -0.70 -1.58 0.00 -1.15 -4.14 116.66 108.54 1irp n ARG 98 Ca 0.22 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.16 1irp n ARG 98 Cb 0.90 -0.06 0.37 0.00 0.00 0.00 0.00 32.46 33.67 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1irp n PHE 99 N -3.12 1.66 -3.42 -0.14 3.72 -1.26 -3.99 117.46 110.90 1irp n PHE 99 Ca 0.00 -0.63 -0.19 0.00 -0.05 0.00 0.00 57.45 56.57 1irp n PHE 99 Cb 0.02 -0.32 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1irp s ALA 100 N -2.08 4.20 0.06 4.37 0.00 -0.79 -4.35 121.76 123.17 1irp s ALA 100 Ca 0.52 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1irp s ALA 100 Cb 0.35 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1irp s ALA 100 CO 0.23 -0.15 -0.05 -0.06 0.00 0.00 0.00 175.76 175.72 1irp s PHE 101 N -2.34 0.64 -0.15 0.00 0.08 -0.18 -1.22 117.98 114.81 1irp s PHE 101 Ca 0.48 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.75 1irp s PHE 101 Cb -0.07 -0.40 0.01 0.00 -0.57 0.00 0.00 43.02 41.99 1irp s PHE 101 CO 0.30 -0.20 -0.21 0.42 -0.10 0.00 0.00 175.22 175.42 1irp s ILE 102 N -2.84 2.06 -0.93 0.64 1.01 -0.94 -0.85 121.20 119.35 1irp s ILE 102 Ca 0.01 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 1irp s ILE 102 Cb 0.00 -1.83 0.08 0.00 0.01 0.00 0.00 42.46 40.72 1irp s ILE 102 CO -0.04 0.55 1.28 -0.60 0.00 0.00 0.00 174.94 176.13 1irp s ARG 103 N 0.93 3.51 -0.02 2.79 3.52 -0.22 -0.70 118.95 128.76 1irp s ARG 103 Ca -0.04 -1.21 -0.25 0.00 -0.13 0.00 0.00 55.73 54.09 1irp s ARG 103 Cb -0.15 -5.00 -0.20 0.00 -1.56 0.00 0.00 34.95 28.05 1irp s ARG 103 CO -0.05 -2.03 1.22 1.03 -0.81 0.00 0.00 175.30 174.67 1irp h SER 104 N 9.49 -0.05 -3.86 -2.12 0.87 -1.87 -3.48 113.55 112.54 1irp h SER 104 Ca 0.09 -0.45 0.08 0.00 -1.23 0.00 0.00 61.79 60.28 1irp h SER 104 Cb 1.02 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 1irp h SER 104 CO 1.29 0.43 -0.69 -0.67 -0.53 0.00 0.00 176.83 176.66 1irp n ASP 105 N -4.89 -5.27 -1.60 6.23 2.03 -1.26 -4.99 116.55 106.80 1irp n ASP 105 Ca -0.08 1.11 0.03 0.00 0.52 0.00 0.00 54.79 56.36 1irp n ASP 105 Cb 0.25 -2.99 0.05 0.00 -0.72 0.00 0.00 41.12 37.72 1irp n ASP 105 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1irp n SER 106 N -2.66 1.35 0.00 1.67 2.88 -1.04 -4.99 113.62 110.84 1irp n SER 106 Ca -0.02 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1irp n SER 106 Cb 0.35 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irp n GLY 107 N 0.03 1.64 0.36 0.46 0.00 -1.26 -4.42 105.19 102.00 1irp n GLY 107 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.80 1irp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 108 N 0.00 0.97 -6.41 1.61 0.11 -2.00 -3.43 132.00 122.85 1irp h PRO 108 Ca 0.00 -0.06 -0.69 0.00 0.11 0.00 0.00 66.00 65.36 1irp h PRO 108 Cb 0.00 -0.22 -0.26 0.00 0.11 0.00 0.00 31.00 30.63 1irp h PRO 108 CO 0.00 0.64 -0.81 0.95 -0.21 0.00 0.00 178.00 178.57 1irp s THR 109 N -5.86 2.71 0.46 -1.15 -4.23 -1.26 -4.24 115.64 102.06 1irp s THR 109 Ca -0.11 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1irp s THR 109 Cb 0.19 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1irp s THR 109 CO 0.79 0.59 0.01 0.28 -0.54 0.00 0.00 174.62 175.75 1irp s THR 110 N -0.67 1.55 0.19 3.99 -1.32 0.80 -2.49 115.64 117.69 1irp s THR 110 Ca 0.10 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.35 1irp s THR 110 Cb -0.10 -2.58 0.05 0.00 -1.51 0.00 0.00 72.50 68.35 1irp s THR 110 CO 0.00 0.00 0.74 -0.55 -2.21 0.00 0.00 174.62 172.60 1irp s SER 111 N -3.78 -0.35 0.12 8.08 0.15 -1.26 -1.96 113.70 114.70 1irp s SER 111 Ca 0.21 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.58 1irp s SER 111 Cb 0.06 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1irp s SER 111 CO 0.11 -1.08 -0.12 -0.36 1.20 0.00 0.00 173.24 172.98 1irp s PHE 112 N -3.68 1.27 0.53 3.44 0.08 -0.84 -3.59 117.98 115.20 1irp s PHE 112 Ca 0.08 -0.62 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1irp s PHE 112 Cb -0.03 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1irp s PHE 112 CO -0.01 0.09 0.77 -2.00 -0.10 0.00 0.00 175.22 173.97 1irp s GLU 113 N -2.88 2.76 -0.03 0.44 2.56 0.13 -0.29 118.70 121.38 1irp s GLU 113 Ca 0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 54.97 54.44 1irp s GLU 113 Cb -0.03 -2.46 0.01 0.00 2.00 0.00 0.00 34.13 33.65 1irp s GLU 113 CO 0.02 -0.59 0.20 -1.12 -0.56 0.00 0.00 175.26 173.21 1irp s SER 114 N -4.34 -0.10 0.00 -1.70 0.01 0.43 -2.22 113.70 105.79 1irp s SER 114 Ca 0.54 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1irp s SER 114 Cb -0.10 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1irp s SER 114 CO 0.40 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.75 1irp n ALA 115 N 1.87 0.00 -1.00 1.44 0.00 -0.36 -1.98 120.51 120.48 1irp n ALA 115 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1irp n ALA 115 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1irp n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n ALA 116 N 1.18 0.00 -0.01 0.00 0.00 -1.26 -1.88 120.51 118.55 1irp n ALA 116 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1irp n ALA 116 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp s PRO 118 N -1.13 0.89 0.00 0.00 0.04 -1.26 -4.78 135.00 128.76 1irp s PRO 118 Ca -0.01 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1irp s PRO 118 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1irp s PRO 118 CO 0.02 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.07 1irp n GLY 119 N -1.64 1.54 3.42 0.56 0.00 -1.26 -4.38 105.19 103.43 1irp n GLY 119 Ca 0.06 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 1irp n GLY 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1irp s TRP 120 N 0.00 1.08 -0.19 1.61 0.51 -0.84 -4.98 118.94 116.14 1irp s TRP 120 Ca 0.00 -1.28 -0.00 0.00 -2.12 0.00 0.00 56.10 52.70 1irp s TRP 120 Cb 0.00 -0.23 0.01 0.00 -0.81 0.00 0.00 33.47 32.44 1irp s TRP 120 CO 0.00 -0.99 -0.16 0.12 -0.51 0.00 0.00 176.95 175.42 1irp s PHE 121 N -3.46 2.82 -0.17 -1.98 5.36 -0.65 -0.43 117.98 119.48 1irp s PHE 121 Ca 0.32 -1.41 -0.24 0.00 -0.96 0.00 0.00 56.93 54.64 1irp s PHE 121 Cb 0.01 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1irp s PHE 121 CO 0.18 -0.71 0.80 -1.17 -1.46 0.00 0.00 175.22 172.86 1irp s LEU 122 N 1.29 4.17 0.00 6.12 2.96 0.60 -0.85 118.68 132.97 1irp s LEU 122 Ca 0.04 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1irp s LEU 122 Cb -0.14 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1irp s LEU 122 CO -0.09 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.56 1irp s THR 124 N -1.87 2.55 0.00 0.00 2.01 -1.12 -1.82 115.64 115.40 1irp s THR 124 Ca 0.00 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.93 1irp s THR 124 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1irp s THR 124 CO 0.00 -0.20 0.00 0.00 -0.69 0.00 0.00 174.62 173.73 1irp n ALA 125 N -0.04 0.00 -1.47 7.40 0.00 -0.69 -0.27 120.51 125.44 1irp n ALA 125 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 1irp n ALA 125 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1irp n ALA 125 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1irp n MET 126 N 0.00 2.60 0.00 0.00 1.56 -1.26 -2.69 117.12 117.33 1irp n MET 126 Ca 0.00 -2.26 0.00 0.00 -0.27 0.00 0.00 57.70 55.17 1irp n MET 126 Cb 0.00 -2.19 0.00 0.00 2.15 0.00 0.00 33.22 33.18 1irp n MET 126 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1irp n GLU 127 N 1.25 0.00 0.00 2.12 0.28 -1.26 -4.86 120.64 118.18 1irp n GLU 127 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1irp n GLU 127 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1irp n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1irp n ALA 128 N 0.63 0.00 0.13 -1.84 0.00 -0.94 -2.30 120.51 116.19 1irp n ALA 128 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1irp n ALA 128 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1irp n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1irp n ASP 129 N 9.77 3.59 -4.90 0.00 2.03 -1.26 -1.82 116.55 123.96 1irp n ASP 129 Ca 0.00 -1.99 -0.28 0.00 0.52 0.00 0.00 54.79 53.04 1irp n ASP 129 Cb 0.00 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.06 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1irp s GLN 130 N -1.35 3.61 0.41 -0.67 -0.21 -0.97 -4.82 119.66 115.65 1irp s GLN 130 Ca 0.42 0.24 -0.02 0.00 0.02 0.00 0.00 55.36 56.02 1irp s GLN 130 Cb 0.24 -2.41 0.08 0.00 1.00 0.00 0.00 33.01 31.92 1irp s GLN 130 CO 0.32 -0.11 0.56 -0.35 -2.12 0.00 0.00 175.29 173.59 1irp n PRO 131 N -1.86 0.05 -2.06 2.91 -0.04 -1.26 -1.11 135.00 131.62 1irp n PRO 131 Ca 0.01 -1.36 -0.39 0.00 -0.04 0.00 0.00 63.50 61.72 1irp n PRO 131 Cb 0.55 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1irp n PRO 131 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1irp s VAL 132 N -1.72 2.64 0.18 0.52 0.11 -0.65 -1.71 120.40 119.77 1irp s VAL 132 Ca 0.36 0.54 0.02 0.00 -2.93 0.00 0.00 61.98 59.97 1irp s VAL 132 Cb -0.02 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 1irp s VAL 132 CO 0.24 0.05 -0.00 -0.94 -3.33 0.00 0.00 175.10 171.12 1irp s SER 133 N -0.89 1.27 -0.13 3.54 1.04 -0.75 -4.74 113.70 113.04 1irp s SER 133 Ca 0.60 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1irp s SER 133 Cb -0.36 0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1irp s SER 133 CO 0.46 -0.56 -0.21 -0.76 0.98 0.00 0.00 173.24 173.15 1irp s LEU 134 N -3.18 2.01 -0.02 2.42 1.43 -1.26 -1.95 118.68 118.12 1irp s LEU 134 Ca 0.24 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 1irp s LEU 134 Cb 0.06 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1irp s LEU 134 CO 0.04 0.08 0.45 -0.89 0.23 0.00 0.00 176.35 176.26 1irp s THR 135 N 0.78 5.02 -0.07 5.49 2.01 -0.03 -4.90 115.64 123.94 1irp s THR 135 Ca -0.09 0.92 -0.02 0.00 0.31 0.00 0.00 61.69 62.82 1irp s THR 135 Cb -0.16 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1irp s THR 135 CO -0.00 0.52 0.09 0.78 -0.69 0.00 0.00 174.62 175.31 1irp h ASN 136 N 5.15 -0.05 0.00 3.53 2.35 -1.94 -1.72 115.58 122.90 1irp h ASN 136 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1irp h ASN 136 Cb 1.21 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1irp h ASN 136 CO 0.65 0.32 0.00 0.80 -1.65 0.00 0.00 177.43 177.55 1irp n MET 137 N -4.17 0.00 -2.67 0.81 0.00 -1.26 -4.74 117.12 105.10 1irp n MET 137 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.26 1irp n MET 137 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.22 1irp n MET 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1irp s PRO 138 N -2.00 4.14 -0.52 2.12 0.02 -1.26 -5.00 135.00 132.50 1irp s PRO 138 Ca 0.00 1.16 0.04 0.00 0.02 0.00 0.00 61.00 62.22 1irp s PRO 138 Cb 0.00 -3.70 0.16 0.00 0.02 0.00 0.00 34.50 30.98 1irp s PRO 138 CO 0.00 -0.78 0.35 0.34 -0.33 0.00 0.00 177.00 176.58 1irp s ASP 139 N 1.47 3.46 -1.29 2.53 -1.08 -1.26 -5.02 116.67 115.48 1irp s ASP 139 Ca 0.44 -3.15 -0.06 0.00 -0.52 0.00 0.00 52.55 49.26 1irp s ASP 139 Cb -0.13 -1.09 0.15 0.00 -1.46 0.00 0.00 42.92 40.39 1irp s ASP 139 CO 0.11 -0.18 2.18 1.21 0.52 0.00 0.00 175.17 179.01 1irp n GLU 140 N 2.84 4.34 -2.98 4.34 2.13 -1.26 -4.58 120.64 125.47 1irp n GLU 140 Ca 0.18 -3.57 -0.12 0.00 0.66 0.00 0.00 57.16 54.31 1irp n GLU 140 Cb 0.38 -2.71 0.06 0.00 0.27 0.00 0.00 31.44 29.44 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1irp n GLY 141 N 1.95 -0.04 0.53 8.31 0.00 -1.26 -5.01 105.19 109.67 1irp n GLY 141 Ca 0.54 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1irp n GLY 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1irp n VAL 142 N -3.26 1.23 -3.40 1.61 3.14 -1.26 -5.04 118.33 111.35 1irp n VAL 142 Ca -0.13 0.14 -0.28 0.00 -2.96 0.00 0.00 64.34 61.11 1irp n VAL 142 Cb 0.59 -1.92 -0.03 0.00 -1.06 0.00 0.00 33.84 31.42 1irp n VAL 142 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1irp s MET 143 N -2.43 3.59 -1.03 1.45 -1.94 -1.26 -4.19 119.30 113.48 1irp s MET 143 Ca -0.17 -0.11 -0.18 0.00 -1.71 0.00 0.00 55.69 53.52 1irp s MET 143 Cb 0.04 -2.68 0.12 0.00 2.01 0.00 0.00 34.83 34.32 1irp s MET 143 CO 0.24 0.23 1.29 0.08 -0.01 0.00 0.00 175.02 176.85 1irp s VAL 144 N -2.09 4.60 -0.34 -6.03 1.01 0.63 -4.87 120.40 113.32 1irp s VAL 144 Ca 0.42 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1irp s VAL 144 Cb -0.11 -4.89 0.31 0.00 0.00 0.00 0.00 36.38 31.70 1irp s VAL 144 CO 0.31 -1.65 1.84 0.35 0.00 0.00 0.00 175.10 175.95 1irp n THR 145 N 5.64 2.70 -3.30 3.92 -2.24 -1.26 -2.79 114.28 116.94 1irp n THR 145 Ca 0.30 -1.61 -0.07 0.00 -2.27 0.00 0.00 64.05 60.40 1irp n THR 145 Cb 0.48 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 1irp n THR 145 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1irp s LYS 146 N -2.12 0.40 -0.04 -0.78 -2.85 -1.24 -4.54 119.74 108.58 1irp s LYS 146 Ca 0.36 0.52 -0.07 0.00 -1.00 0.00 0.00 55.97 55.78 1irp s LYS 146 Cb 0.29 -0.26 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1irp s LYS 146 CO 0.02 -0.74 0.17 -0.59 0.10 0.00 0.00 175.35 174.32 1irp s PHE 147 N 2.60 -0.11 0.20 1.78 -0.12 -0.83 -4.85 117.98 116.66 1irp s PHE 147 Ca 0.13 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.95 1irp s PHE 147 Cb -0.15 0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 42.19 1irp s PHE 147 CO -0.20 -0.19 1.05 0.71 -0.05 0.00 0.00 175.22 176.54 1irp s TYR 148 N -0.55 3.70 -0.49 3.49 1.51 0.98 -0.14 117.35 125.85 1irp s TYR 148 Ca -0.06 1.71 -0.07 0.00 -1.01 0.00 0.00 57.07 57.64 1irp s TYR 148 Cb -0.04 -3.18 0.13 0.00 -0.11 0.00 0.00 41.96 38.76 1irp s TYR 148 CO 0.01 -0.25 0.35 0.12 -1.11 0.00 0.00 175.55 174.66 1irp s PHE 149 N -0.53 3.48 0.01 2.71 5.36 -1.26 -1.64 117.98 126.11 1irp s PHE 149 Ca 0.47 -2.10 -0.04 0.00 -0.96 0.00 0.00 56.93 54.30 1irp s PHE 149 Cb -0.28 -3.42 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 1irp s PHE 149 CO 0.34 -0.97 0.06 -0.65 -1.46 0.00 0.00 175.22 172.54 1irp s GLN 150 N 1.09 0.37 0.58 10.12 -0.21 -0.84 -5.05 119.66 125.72 1irp s GLN 150 Ca 0.08 -0.43 -0.15 0.00 0.02 0.00 0.00 55.36 54.89 1irp s GLN 150 Cb -0.24 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 33.87 1irp s GLN 150 CO -0.02 -0.08 1.03 -1.83 -2.12 0.00 0.00 175.29 172.27 1irp s GLU 151 N -1.25 3.51 0.10 2.91 1.03 -1.26 -0.39 118.70 123.36 1irp s GLU 151 Ca -0.14 1.05 -0.28 0.00 0.03 0.00 0.00 54.97 55.64 1irp s GLU 151 Cb -0.08 -2.07 -0.06 0.00 -0.80 0.00 0.00 34.13 31.12 1irp s GLU 151 CO 0.00 -0.64 0.87 -0.51 -1.33 0.00 0.00 175.26 173.66 1irp s ASP 152 N -3.13 7.39 0.00 0.83 1.01 -1.26 -4.77 116.67 116.75 1irp s ASP 152 Ca 0.61 1.66 0.12 0.00 0.71 0.00 0.00 52.55 55.65 1irp s ASP 152 Cb -0.13 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.36 1irp s ASP 152 CO 0.39 0.00 0.88 -0.62 0.21 0.00 0.00 175.17 176.03