#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n PHE 2 N 0.00 -1.62 -5.02 1.12 3.72 -1.26 -4.64 117.46 109.75 3i1t n PHE 2 Ca 0.00 0.58 -0.32 0.00 -0.05 0.00 0.00 57.45 57.66 3i1t n PHE 2 Cb 0.00 -3.38 -0.15 0.00 -0.94 0.00 0.00 39.48 35.01 3i1t n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3i1t s THR 3 N -3.16 2.63 0.09 4.37 -4.23 -1.26 -2.27 115.64 111.81 3i1t s THR 3 Ca 0.19 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 3i1t s THR 3 Cb -0.03 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 3i1t s THR 3 CO 0.46 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.38 3i1t s ILE 4 N -0.24 0.84 0.01 2.99 1.01 -1.22 -4.95 121.20 119.64 3i1t s ILE 4 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 3i1t s ILE 4 Cb -0.13 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 3i1t s ILE 4 CO 0.03 -0.60 0.49 0.21 0.00 0.00 0.00 174.94 175.07 3i1t s ASN 5 N -2.46 6.90 -0.02 3.58 2.47 -1.26 -0.72 114.94 123.43 3i1t s ASN 5 Ca 0.05 1.07 0.01 0.00 0.42 0.00 0.00 52.86 54.41 3i1t s ASN 5 Cb -0.02 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.49 3i1t s ASN 5 CO -0.01 0.25 -0.03 0.00 -3.72 0.00 0.00 177.10 173.59 3i1t s ALA 6 N -0.81 0.40 0.51 1.71 0.00 -0.65 -4.66 121.76 118.25 3i1t s ALA 6 Ca 0.27 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.26 3i1t s ALA 6 Cb -0.18 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3i1t s ALA 6 CO 0.15 0.02 0.53 -1.21 0.00 0.00 0.00 175.76 175.26 3i1t s GLU 7 N 0.44 2.40 0.01 0.00 0.41 -1.23 -3.69 118.70 117.03 3i1t s GLU 7 Ca -0.05 -1.70 -0.25 0.00 -0.41 0.00 0.00 54.97 52.57 3i1t s GLU 7 Cb -0.08 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.82 3i1t s GLU 7 CO -0.01 -0.55 0.76 0.14 -0.49 0.00 0.00 175.26 175.12 3i1t s VAL 8 N -2.62 4.82 -0.17 2.63 -7.23 -1.26 -3.49 120.40 113.08 3i1t s VAL 8 Ca 0.48 1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 62.20 3i1t s VAL 8 Cb -0.04 -4.10 -0.04 0.00 0.56 0.00 0.00 36.38 32.76 3i1t s VAL 8 CO 0.30 0.32 0.02 0.00 -0.31 0.00 0.00 175.10 175.43 3i1t s ARG 9 N 0.22 3.84 -0.22 4.82 1.70 -1.22 -4.96 118.95 123.12 3i1t s ARG 9 Ca 0.39 -0.41 0.13 0.00 -0.47 0.00 0.00 55.73 55.37 3i1t s ARG 9 Cb -0.20 -3.09 0.78 0.00 -0.57 0.00 0.00 34.95 31.87 3i1t s ARG 9 CO 0.22 0.28 1.69 0.36 -1.08 0.00 0.00 175.30 176.77 3i1t n LYS 10 N 3.48 4.68 -1.66 3.89 2.85 -1.26 -4.94 118.16 125.20 3i1t n LYS 10 Ca -0.17 -3.00 -0.00 0.00 -1.05 0.00 0.00 58.31 54.09 3i1t n LYS 10 Cb 0.52 -2.22 -0.00 0.00 -0.65 0.00 0.00 35.03 32.68 3i1t n LYS 10 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i1t n GLU 11 N 0.62 0.00 -2.05 -1.58 1.02 -1.26 -5.18 120.64 112.21 3i1t n GLU 11 Ca 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3i1t n GLU 11 Cb 1.14 0.02 0.00 0.00 -0.02 0.00 0.00 31.44 32.59 3i1t n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1t n GLN 12 N -0.00 0.05 -0.76 3.49 -0.00 -1.26 -5.03 117.38 113.86 3i1t n GLN 12 Ca 0.00 -0.14 0.08 0.00 -0.00 0.00 0.00 57.00 56.94 3i1t n GLN 12 Cb 0.00 0.22 -0.05 0.00 -0.00 0.00 0.00 30.24 30.42 3i1t n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1t n GLY 13 N -0.13 -3.08 0.41 2.61 0.00 -1.26 -3.80 105.19 99.94 3i1t n GLY 13 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 3i1t n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i1t h LYS 14 N -0.66 -0.11 0.00 1.61 3.64 -2.01 -3.21 116.57 115.83 3i1t h LYS 14 Ca -0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3i1t h LYS 14 Cb 0.71 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3i1t h LYS 14 CO 0.04 -0.07 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 3i1t n GLY 15 N -1.36 -2.39 0.43 5.01 0.00 -1.26 -2.16 105.19 103.45 3i1t n GLY 15 Ca 0.03 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 3i1t n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t h ALA 16 N -0.98 -0.62 0.00 4.61 0.00 -1.65 -2.93 119.26 117.69 3i1t h ALA 16 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i1t h ALA 16 Cb 0.00 0.99 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3i1t h ALA 16 CO 0.00 -0.96 0.00 0.45 0.00 0.00 0.00 179.25 178.74 3i1t n SER 17 N -5.41 0.00 0.15 0.00 2.88 -0.92 -0.62 113.62 109.71 3i1t n SER 17 Ca -0.02 0.01 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 3i1t n SER 17 Cb 0.35 -0.33 0.11 0.00 -0.75 0.00 0.00 64.21 63.58 3i1t n SER 17 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3i1t h ARG 18 N 0.00 0.00 0.00 -1.46 3.08 -1.25 -2.68 114.38 112.07 3i1t h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i1t h ARG 18 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i1t h ARG 18 CO 0.00 0.47 0.00 0.54 -1.07 0.00 0.00 179.97 179.91 3i1t n ARG 19 N -3.29 0.16 -0.01 0.04 1.74 0.21 -1.27 116.66 114.24 3i1t n ARG 19 Ca 0.01 0.06 -0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3i1t n ARG 19 Cb 0.68 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3i1t n ARG 19 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i1t h LEU 20 N 0.00 -0.01 -0.40 0.55 3.38 -1.49 -3.17 115.31 114.18 3i1t h LEU 20 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3i1t h LEU 20 Cb 0.34 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3i1t h LEU 20 CO 0.00 0.15 -0.53 0.03 0.09 0.00 0.00 178.44 178.18 3i1t h ARG 21 N -0.32 -0.36 0.00 1.13 3.08 -1.51 0.44 114.38 116.84 3i1t h ARG 21 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i1t h ARG 21 Cb 0.01 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i1t h ARG 21 CO 0.00 -0.24 0.00 0.00 -1.07 0.00 0.00 179.97 178.66 3i1t n ALA 22 N -3.07 1.74 -2.15 0.04 0.00 -0.39 -0.51 120.51 116.17 3i1t n ALA 22 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.43 3i1t n ALA 22 Cb 0.32 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.80 3i1t n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 23 N -0.67 2.58 -0.93 0.00 0.00 0.12 -4.96 120.51 116.65 3i1t n ALA 23 Ca 0.02 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.09 3i1t n ALA 23 Cb 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i1t n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1t n ASN 24 N -0.04 -1.38 -1.21 0.00 5.03 0.34 -4.95 115.26 113.05 3i1t n ASN 24 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 3i1t n ASN 24 Cb 0.95 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 3i1t n ASN 24 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i1t n LYS 25 N -2.05 1.78 0.00 3.52 5.02 0.72 -3.49 118.16 123.66 3i1t n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1t n LYS 25 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 3i1t n LYS 25 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i1t n PHE 26 N -0.60 0.00 -2.54 2.13 7.35 -1.22 -3.15 117.46 119.42 3i1t n PHE 26 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 3i1t n PHE 26 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3i1t n PHE 26 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3i1t s PRO 27 N 0.00 3.94 -0.20 -7.13 0.04 -1.26 -0.06 135.00 130.34 3i1t s PRO 27 Ca 0.00 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 61.86 3i1t s PRO 27 Cb 0.00 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.56 3i1t s PRO 27 CO 0.00 -0.29 1.19 0.00 0.04 0.00 0.00 177.00 177.94 3i1t s ALA 28 N -2.29 -2.04 0.41 8.56 0.00 -1.17 -3.62 121.76 121.62 3i1t s ALA 28 Ca 0.63 1.64 0.06 0.00 0.00 0.00 0.00 51.96 54.29 3i1t s ALA 28 Cb -0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 3i1t s ALA 28 CO 0.23 -0.46 0.01 0.96 0.00 0.00 0.00 175.76 176.50 3i1t s ILE 29 N -1.87 1.91 0.03 0.00 -5.25 -1.01 -2.20 121.20 112.80 3i1t s ILE 29 Ca 0.07 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 57.75 3i1t s ILE 29 Cb -0.01 -2.94 -0.02 0.00 2.95 0.00 0.00 42.46 42.45 3i1t s ILE 29 CO -0.04 0.00 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.41 3i1t s ILE 30 N -2.74 0.41 0.00 8.37 1.01 0.01 -1.24 121.20 127.01 3i1t s ILE 30 Ca 0.33 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3i1t s ILE 30 Cb 0.09 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3i1t s ILE 30 CO 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 174.94 174.78 3i1t n TYR 31 N 1.75 0.00 0.00 3.97 0.18 -0.88 0.21 117.16 122.40 3i1t n TYR 31 Ca -0.21 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.57 3i1t n TYR 31 Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 3i1t n TYR 31 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i1t n GLY 32 N -0.26 -0.53 0.00 -7.48 0.00 -1.26 -3.88 105.19 91.78 3i1t n GLY 32 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i1t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 33 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.34 105.19 99.57 3i1t n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1t n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i1t n LYS 34 N 0.00 2.64 -0.76 1.61 2.85 -1.26 -5.08 118.16 118.16 3i1t n LYS 34 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 3i1t n LYS 34 Cb 0.00 -0.87 0.13 0.00 -0.65 0.00 0.00 35.03 33.65 3i1t n LYS 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i1t n GLU 35 N -1.67 -0.62 -2.28 -1.58 1.02 -1.26 -4.96 120.64 109.29 3i1t n GLU 35 Ca 0.00 -0.14 -0.33 0.00 -0.02 0.00 0.00 57.16 56.66 3i1t n GLU 35 Cb 0.37 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3i1t n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1t s ALA 36 N -2.36 2.81 0.12 0.62 0.00 -1.26 -4.63 121.76 117.06 3i1t s ALA 36 Ca 0.57 0.48 -0.35 0.00 0.00 0.00 0.00 51.96 52.66 3i1t s ALA 36 Cb -0.19 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3i1t s ALA 36 CO 0.67 -0.57 1.39 -0.35 0.00 0.00 0.00 175.76 176.90 3i1t n PRO 37 N -1.54 1.46 -4.15 0.00 -0.04 -1.26 -4.89 135.00 124.58 3i1t n PRO 37 Ca 0.09 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 3i1t n PRO 37 Cb 0.53 -2.19 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 3i1t n PRO 37 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i1t s LEU 38 N 0.60 3.88 -0.14 1.53 2.96 0.13 -4.99 118.68 122.65 3i1t s LEU 38 Ca 0.81 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3i1t s LEU 38 Cb -0.85 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 43.78 3i1t s LEU 38 CO 0.45 0.33 -0.03 0.00 -1.32 0.00 0.00 176.35 175.78 3i1t s ALA 39 N -1.07 1.21 0.00 5.97 0.00 -1.26 -0.81 121.76 125.80 3i1t s ALA 39 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3i1t s ALA 39 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3i1t s ALA 39 CO 0.08 -0.72 0.00 0.44 0.00 0.00 0.00 175.76 175.56 3i1t n ILE 40 N 4.97 0.00 -3.91 0.00 -0.00 -0.94 -3.40 119.36 116.08 3i1t n ILE 40 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.56 3i1t n ILE 40 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.10 3i1t n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 3i1t s GLU 41 N -0.53 1.82 0.00 6.28 1.03 -1.23 -3.03 118.70 123.03 3i1t s GLU 41 Ca 0.00 -1.21 0.00 0.00 0.03 0.00 0.00 54.97 53.79 3i1t s GLU 41 Cb 0.00 0.56 0.00 0.00 -0.80 0.00 0.00 34.13 33.89 3i1t s GLU 41 CO 0.00 -0.81 0.00 1.28 -1.33 0.00 0.00 175.26 174.40 3i1t n LEU 42 N -0.46 0.00 -4.34 1.83 4.77 0.92 -3.58 117.00 116.15 3i1t n LEU 42 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 3i1t n LEU 42 Cb 0.60 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 3i1t n LEU 42 CO 0.21 0.00 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.16 3i1t s ASP 43 N 1.00 3.72 0.00 -1.43 -1.08 -1.26 -3.45 116.67 114.18 3i1t s ASP 43 Ca 0.00 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 51.71 3i1t s ASP 43 Cb 0.00 -1.43 0.33 0.00 -1.46 0.00 0.00 42.92 40.36 3i1t s ASP 43 CO 0.00 0.19 0.97 1.57 0.52 0.00 0.00 175.17 178.42 3i1t n HIS 44 N 3.36 0.00 -0.01 -5.34 -0.00 -1.23 -3.22 115.22 108.78 3i1t n HIS 44 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.50 3i1t n HIS 44 Cb 0.53 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.99 30.32 3i1t n HIS 44 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3i1t n ASP 45 N -1.19 1.37 -0.14 0.26 -0.08 -1.26 -4.38 116.55 111.13 3i1t n ASP 45 Ca 0.04 0.21 -0.08 0.00 -1.51 0.00 0.00 54.79 53.44 3i1t n ASP 45 Cb 0.04 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.94 3i1t n ASP 45 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3i1t h LYS 46 N -0.41 -0.17 0.00 -0.67 6.56 -1.99 0.48 116.57 120.37 3i1t h LYS 46 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3i1t h LYS 46 Cb 0.41 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 3i1t h LYS 46 CO 0.00 -0.11 0.00 0.28 -2.06 0.00 0.00 179.45 177.56 3i1t h VAL 47 N -0.18 0.00 0.10 0.50 2.07 -1.85 -2.45 116.25 114.44 3i1t h VAL 47 Ca 0.06 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3i1t h VAL 47 Cb 0.34 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3i1t h VAL 47 CO -0.45 0.00 -0.05 -0.03 0.02 0.00 0.00 177.57 177.07 3i1t h MET 48 N 0.00 -0.13 -0.32 1.57 -1.53 -1.11 -0.76 114.93 112.65 3i1t h MET 48 Ca 0.00 0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.20 3i1t h MET 48 Cb 0.06 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 3i1t h MET 48 CO 0.00 0.33 -0.09 -0.91 0.14 0.00 0.00 176.91 176.38 3i1t h ASN 49 N -0.65 0.52 -0.26 1.39 2.35 -1.12 -1.00 115.58 116.81 3i1t h ASN 49 Ca -0.01 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 3i1t h ASN 49 Cb 0.51 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3i1t h ASN 49 CO 0.02 0.65 -0.03 0.24 -1.65 0.00 0.00 177.43 176.66 3i1t h MET 50 N 0.50 0.48 0.00 0.81 2.86 -1.50 -1.84 114.93 116.23 3i1t h MET 50 Ca 0.10 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3i1t h MET 50 Cb 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3i1t h MET 50 CO 0.02 0.67 0.00 -0.56 1.06 0.00 0.00 176.91 178.10 3i1t h GLN 51 N 0.24 0.00 0.00 1.72 -0.00 -0.88 -0.13 115.11 116.06 3i1t h GLN 51 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.62 3i1t h GLN 51 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.94 3i1t h GLN 51 CO 0.02 0.00 -0.49 0.00 -0.00 0.00 0.00 178.83 178.36 3i1t h ALA 52 N 2.03 0.71 -1.92 0.06 0.00 -0.41 -3.43 119.26 116.30 3i1t h ALA 52 Ca 0.00 -0.45 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 3i1t h ALA 52 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3i1t h ALA 52 CO 0.00 0.61 1.24 0.15 0.00 0.00 0.00 179.25 181.25 3i1t s LYS 53 N -3.05 3.48 0.50 0.00 -0.14 -0.06 -4.85 119.74 115.62 3i1t s LYS 53 Ca 0.03 1.52 0.14 0.00 -1.36 0.00 0.00 55.97 56.30 3i1t s LYS 53 Cb 0.08 -4.15 0.75 0.00 -1.68 0.00 0.00 37.83 32.82 3i1t s LYS 53 CO 0.74 -1.69 1.35 0.00 -0.76 0.00 0.00 175.35 174.99 3i1t h ALA 54 N 12.26 1.45 -3.00 5.17 0.00 -1.83 -3.08 119.26 130.22 3i1t h ALA 54 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i1t h ALA 54 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i1t h ALA 54 CO 1.02 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.21 3i1t n GLU 55 N -2.36 0.00 0.00 0.00 1.02 -1.26 -4.63 120.64 113.41 3i1t n GLU 55 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3i1t n GLU 55 Cb 0.54 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 3i1t n GLU 55 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i1t n PHE 56 N 0.00 0.00 0.13 -0.32 -0.00 -1.17 -0.49 117.46 115.61 3i1t n PHE 56 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 3i1t n PHE 56 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 3i1t n PHE 56 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3i1t n TYR 57 N 0.00 0.00 0.00 -5.13 4.02 -1.26 -4.07 117.16 110.72 3i1t n TYR 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i1t n TYR 57 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i1t n TYR 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3i1t n SER 58 N -0.79 0.00 -2.76 7.72 2.88 0.35 -4.88 113.62 116.15 3i1t n SER 58 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3i1t n SER 58 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1t n SER 58 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1t n GLU 59 N 0.00 -0.28 -2.56 -1.46 2.13 -1.26 -4.88 120.64 112.33 3i1t n GLU 59 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 3i1t n GLU 59 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3i1t n GLU 59 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i1t s VAL 60 N -0.68 3.76 -0.41 6.31 1.01 -1.26 -4.85 120.40 124.28 3i1t s VAL 60 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 3i1t s VAL 60 Cb 0.00 -4.94 -0.06 0.00 0.00 0.00 0.00 36.38 31.39 3i1t s VAL 60 CO 0.00 -1.86 2.26 -1.48 0.00 0.00 0.00 175.10 174.02 3i1t s LEU 61 N 5.60 3.41 -0.79 3.92 2.34 -0.95 -4.80 118.68 127.42 3i1t s LEU 61 Ca 0.36 1.25 -0.23 0.00 0.06 0.00 0.00 54.13 55.58 3i1t s LEU 61 Cb -0.07 -2.86 0.07 0.00 -0.56 0.00 0.00 46.19 42.76 3i1t s LEU 61 CO 0.11 -2.50 1.16 0.42 -1.06 0.00 0.00 176.35 174.48 3i1t s THR 62 N 10.47 4.17 -0.62 5.48 -4.23 -0.96 -2.03 115.64 127.92 3i1t s THR 62 Ca 0.94 -0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 60.83 3i1t s THR 62 Cb -0.21 -4.83 0.11 0.00 1.34 0.00 0.00 72.50 68.91 3i1t s THR 62 CO 0.29 -1.65 0.73 -0.63 -0.54 0.00 0.00 174.62 172.82 3i1t s ILE 63 N 4.41 4.83 0.14 2.99 1.09 -1.26 -3.39 121.20 130.01 3i1t s ILE 63 Ca 0.31 -1.06 -0.31 0.00 -1.10 0.00 0.00 60.65 58.49 3i1t s ILE 63 Cb -0.10 -4.51 -0.08 0.00 -1.06 0.00 0.00 42.46 36.71 3i1t s ILE 63 CO 0.05 -1.15 1.39 -0.69 -0.10 0.00 0.00 174.94 174.44 3i1t s VAL 64 N 2.63 3.20 -0.09 2.92 1.01 0.10 -4.50 120.40 125.68 3i1t s VAL 64 Ca 0.13 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 3i1t s VAL 64 Cb -0.23 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3i1t s VAL 64 CO 0.05 0.08 0.02 0.54 0.00 0.00 0.00 175.10 175.79 3i1t s VAL 65 N 0.90 0.28 -1.19 2.92 0.11 -0.97 -1.64 120.40 120.81 3i1t s VAL 65 Ca 0.64 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 3i1t s VAL 65 Cb -0.38 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3i1t s VAL 65 CO 0.32 0.16 0.96 0.47 -3.33 0.00 0.00 175.10 173.69 3i1t n ASP 66 N 5.17 -2.43 -0.61 3.54 8.00 -1.24 -3.31 116.55 125.66 3i1t n ASP 66 Ca -0.07 -0.65 -0.07 0.00 0.71 0.00 0.00 54.79 54.71 3i1t n ASP 66 Cb 0.50 -5.03 -0.02 0.00 -0.02 0.00 0.00 41.12 36.54 3i1t n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1t n GLY 67 N -1.18 0.73 3.61 0.44 0.00 -1.26 -5.02 105.19 102.50 3i1t n GLY 67 Ca -0.27 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3i1t n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1t s LYS 68 N -3.03 1.58 0.15 1.61 -2.85 -1.21 -5.18 119.74 110.82 3i1t s LYS 68 Ca 0.00 -1.24 0.04 0.00 -1.00 0.00 0.00 55.97 53.77 3i1t s LYS 68 Cb 0.00 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 3i1t s LYS 68 CO 0.00 -0.67 0.15 -2.00 0.10 0.00 0.00 175.35 172.94 3i1t s GLU 69 N -3.97 2.99 0.00 1.78 -6.30 -1.26 -2.28 118.70 109.66 3i1t s GLU 69 Ca 0.22 -0.80 0.00 0.00 -2.50 0.00 0.00 54.97 51.89 3i1t s GLU 69 Cb -0.01 -2.71 0.00 0.00 0.00 0.00 0.00 34.13 31.41 3i1t s GLU 69 CO 0.09 0.50 0.00 0.44 0.02 0.00 0.00 175.26 176.31 3i1t n ILE 70 N -0.28 0.00 -3.34 -3.70 -0.00 -1.26 -5.00 119.36 105.78 3i1t n ILE 70 Ca -0.08 -0.03 -0.18 0.00 -0.00 0.00 0.00 62.75 62.46 3i1t n ILE 70 Cb 0.54 0.42 0.01 0.00 -0.00 0.00 0.00 39.64 40.62 3i1t n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3i1t n LYS 71 N -0.20 -1.76 -3.15 6.28 5.02 -1.26 -4.79 118.16 118.30 3i1t n LYS 71 Ca 0.00 1.40 -0.32 0.00 -2.02 0.00 0.00 58.31 57.38 3i1t n LYS 71 Cb 0.00 -3.85 -0.05 0.00 -0.02 0.00 0.00 35.03 31.11 3i1t n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3i1t s VAL 72 N -2.55 4.78 0.01 -0.18 -7.23 -0.86 -4.34 120.40 110.03 3i1t s VAL 72 Ca 0.15 0.72 0.06 0.00 -1.81 0.00 0.00 61.98 61.10 3i1t s VAL 72 Cb -0.02 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 3i1t s VAL 72 CO 0.83 -0.24 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.46 3i1t s LYS 73 N -3.16 2.24 -0.06 4.82 2.36 -1.24 -2.23 119.74 122.48 3i1t s LYS 73 Ca 0.51 -0.87 -0.30 0.00 -2.55 0.00 0.00 55.97 52.77 3i1t s LYS 73 Cb -0.10 -2.26 -0.06 0.00 -1.05 0.00 0.00 37.83 34.36 3i1t s LYS 73 CO 0.22 0.57 1.70 0.00 1.55 0.00 0.00 175.35 179.38 3i1t s ALA 74 N -0.86 3.58 0.01 3.13 0.00 -1.26 -2.84 121.76 123.52 3i1t s ALA 74 Ca 0.14 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 3i1t s ALA 74 Cb -0.11 -3.77 -0.00 0.00 0.00 0.00 0.00 23.12 19.24 3i1t s ALA 74 CO 0.04 -1.47 -0.02 0.94 0.00 0.00 0.00 175.76 175.24 3i1t n GLN 75 N 7.24 0.04 -3.69 0.00 0.00 -1.20 -5.01 117.38 114.75 3i1t n GLN 75 Ca 0.18 0.01 -0.15 0.00 -0.00 0.00 0.00 57.00 57.04 3i1t n GLN 75 Cb 0.43 -0.29 -0.15 0.00 0.00 0.00 0.00 30.24 30.23 3i1t n GLN 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i1t s ASP 76 N -5.08 0.44 0.02 1.69 1.11 -1.21 -5.01 116.67 108.62 3i1t s ASP 76 Ca -0.02 0.37 -0.21 0.00 0.18 0.00 0.00 52.55 52.87 3i1t s ASP 76 Cb 0.00 0.32 -0.06 0.00 1.07 0.00 0.00 42.92 44.25 3i1t s ASP 76 CO 0.03 -0.22 0.62 0.54 1.18 0.00 0.00 175.17 177.32 3i1t s VAL 77 N 1.99 4.84 -0.60 -1.27 0.11 -1.26 -0.46 120.40 123.75 3i1t s VAL 77 Ca -0.01 1.32 0.02 0.00 -2.93 0.00 0.00 61.98 60.37 3i1t s VAL 77 Cb -0.12 -3.96 0.15 0.00 -1.53 0.00 0.00 36.38 30.92 3i1t s VAL 77 CO -0.06 0.43 0.37 -1.58 -3.33 0.00 0.00 175.10 170.93 3i1t s GLN 78 N -0.34 2.30 0.00 1.54 0.74 0.23 -4.98 119.66 119.15 3i1t s GLN 78 Ca 0.32 -2.71 0.00 0.00 0.05 0.00 0.00 55.36 53.02 3i1t s GLN 78 Cb -0.19 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.42 3i1t s GLN 78 CO 0.19 -1.16 0.00 2.89 -0.55 0.00 0.00 175.29 176.66 3i1t n ARG 79 N 3.06 3.14 -4.90 1.67 1.85 -1.26 -2.03 116.66 118.19 3i1t n ARG 79 Ca 0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.63 3i1t n ARG 79 Cb 0.34 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.61 3i1t n ARG 79 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3i1t s HIS 80 N 0.00 2.41 0.53 2.89 5.65 -0.53 -3.97 115.29 122.27 3i1t s HIS 80 Ca 0.00 -0.36 0.23 0.00 0.25 0.00 0.00 55.06 55.19 3i1t s HIS 80 Cb 0.00 -1.44 1.39 0.00 -1.18 0.00 0.00 32.58 31.35 3i1t s HIS 80 CO 0.00 0.14 2.04 -1.35 -0.65 0.00 0.00 174.74 174.92 3i1t h PRO 81 N 4.86 0.00 0.00 2.88 0.11 -1.97 -3.42 132.00 134.45 3i1t h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i1t h PRO 81 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i1t h PRO 81 CO 0.46 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.73 3i1t n TYR 82 N -4.36 -3.01 -1.69 0.65 0.18 -1.26 -5.09 117.16 102.58 3i1t n TYR 82 Ca 0.06 0.59 -0.43 0.00 1.88 0.00 0.00 57.90 60.00 3i1t n TYR 82 Cb 0.46 1.73 -0.03 0.00 -0.38 0.00 0.00 39.34 41.12 3i1t n TYR 82 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3i1t n LYS 83 N -2.90 2.63 -1.56 -3.48 4.76 -1.26 -4.79 118.16 111.57 3i1t n LYS 83 Ca 0.00 0.96 -0.21 0.00 -2.87 0.00 0.00 58.31 56.19 3i1t n LYS 83 Cb 0.00 -2.82 -0.06 0.00 -1.84 0.00 0.00 35.03 30.31 3i1t n LYS 83 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3i1t n PRO 84 N 4.98 0.70 -3.91 1.97 -0.02 -1.26 -4.68 135.00 132.78 3i1t n PRO 84 Ca 0.18 -0.56 0.01 0.00 -2.02 0.00 0.00 63.50 61.11 3i1t n PRO 84 Cb 0.35 -3.55 0.01 0.00 -0.02 0.00 0.00 33.50 30.28 3i1t n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3i1t s LYS 85 N 8.70 0.56 0.55 -0.52 -2.85 -1.26 -5.09 119.74 119.82 3i1t s LYS 85 Ca 0.96 -0.35 0.07 0.00 -1.00 0.00 0.00 55.97 55.64 3i1t s LYS 85 Cb -0.17 0.16 0.05 0.00 -2.06 0.00 0.00 37.83 35.81 3i1t s LYS 85 CO 0.15 -0.26 0.52 -0.51 0.10 0.00 0.00 175.35 175.35 3i1t s LEU 86 N -3.60 2.85 0.00 2.77 1.43 -1.26 -1.46 118.68 119.40 3i1t s LEU 86 Ca 0.26 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3i1t s LEU 86 Cb -0.00 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3i1t s LEU 86 CO -0.00 -1.17 0.00 0.00 0.23 0.00 0.00 176.35 175.41 3i1t n GLN 87 N -1.91 1.36 0.00 1.70 6.02 -0.94 -4.69 117.38 118.92 3i1t n GLN 87 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3i1t n GLN 87 Cb 0.63 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3i1t n GLN 87 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3i1t n HIS 88 N -0.31 0.00 -3.73 1.08 -0.00 -0.86 -4.07 115.22 107.33 3i1t n HIS 88 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 3i1t n HIS 88 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 3i1t n HIS 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 3i1t s ILE 89 N -2.00 0.03 -0.52 3.57 -4.36 -1.24 0.78 121.20 117.46 3i1t s ILE 89 Ca 0.00 -0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 59.95 3i1t s ILE 89 Cb 0.00 -0.64 0.06 0.00 1.25 0.00 0.00 42.46 43.14 3i1t s ILE 89 CO 0.00 -0.14 0.63 -1.81 0.24 0.00 0.00 174.94 173.87 3i1t s ASP 90 N -0.73 6.22 0.32 4.36 1.11 0.39 -2.42 116.67 125.92 3i1t s ASP 90 Ca -0.08 -0.98 -0.14 0.00 0.18 0.00 0.00 52.55 51.53 3i1t s ASP 90 Cb -0.04 -2.29 -0.09 0.00 1.07 0.00 0.00 42.92 41.57 3i1t s ASP 90 CO 0.03 -0.92 0.72 -0.36 1.18 0.00 0.00 175.17 175.82 3i1t s PHE 91 N 2.63 3.38 0.00 4.23 0.40 -0.37 -3.24 117.98 125.00 3i1t s PHE 91 Ca 0.15 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 3i1t s PHE 91 Cb -0.20 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.83 3i1t s PHE 91 CO 0.11 0.11 0.00 1.33 0.70 0.00 0.00 175.22 177.47 3i1t n VAL 92 N -0.38 0.00 0.00 -0.44 0.24 -1.13 -2.07 118.33 114.55 3i1t n VAL 92 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3i1t n VAL 92 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3i1t n VAL 92 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1t n ARG 93 N 0.00 0.00 0.00 7.34 1.74 -1.25 -3.65 116.66 120.84 3i1t n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1t n ARG 93 Cb 0.00 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 3i1t n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11