#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eef n PRO 2 N 0.00 1.22 0.00 0.00 -0.04 -1.26 -4.91 135.00 130.01 1eef n PRO 2 Ca 0.00 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 1eef n PRO 2 Cb 0.00 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.24 1eef n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1eef n GLN 3 N -0.58 1.93 -4.04 0.54 6.02 -1.26 -4.97 117.38 115.02 1eef n GLN 3 Ca 0.11 -0.60 -0.09 0.00 -0.01 0.00 0.00 57.00 56.41 1eef n GLN 3 Cb 0.44 -1.21 -0.09 0.00 1.02 0.00 0.00 30.24 30.41 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1eef s THR 4 N -1.86 0.12 0.14 5.09 -4.23 -1.26 -5.05 115.64 108.59 1eef s THR 4 Ca 0.11 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1eef s THR 4 Cb 0.11 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 72.16 1eef s THR 4 CO 0.40 -0.53 1.56 -0.29 -0.54 0.00 0.00 174.62 175.22 1eef h ILE 5 N 2.80 1.27 -0.77 2.99 2.10 -1.96 -1.82 117.51 122.12 1eef h ILE 5 Ca -0.34 -1.18 0.02 0.00 1.08 0.00 0.00 64.86 64.44 1eef h ILE 5 Cb 1.20 1.11 -0.04 0.00 -1.09 0.00 0.00 36.82 38.00 1eef h ILE 5 CO 0.57 0.41 0.50 0.74 -1.08 0.00 0.00 178.15 179.28 1eef h THR 6 N 0.69 1.15 -0.10 2.19 2.02 -1.98 0.40 112.91 117.27 1eef h THR 6 Ca 0.12 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 1eef h THR 6 Cb 0.61 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1eef h THR 6 CO 0.04 0.18 -0.67 1.05 0.37 0.00 0.00 175.52 176.49 1eef h GLU 7 N 0.99 0.43 -0.13 6.66 -0.00 -1.96 -2.27 114.58 118.30 1eef h GLU 7 Ca 0.30 -0.32 -0.01 0.00 -0.00 0.00 0.00 59.36 59.32 1eef h GLU 7 Cb -0.04 0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1eef h GLU 7 CO -0.09 0.95 0.04 1.25 -0.00 0.00 0.00 179.01 181.16 1eef h LEU 8 N 0.31 0.18 -0.94 3.06 6.46 -0.67 -2.84 115.31 120.87 1eef h LEU 8 Ca -0.02 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1eef h LEU 8 Cb 1.23 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.03 1eef h LEU 8 CO 0.12 0.34 0.57 0.00 -0.62 0.00 0.00 178.44 178.84 1eef n SER 10 N -4.67 0.46 0.00 0.00 3.41 -0.87 -2.25 113.62 109.71 1eef n SER 10 Ca 0.17 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1eef n SER 10 Cb 0.33 -0.73 0.59 0.00 -0.26 0.00 0.00 64.21 64.13 1eef n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1eef n GLU 11 N -2.05 0.14 -4.30 4.33 1.02 -0.78 -4.80 120.64 114.21 1eef n GLU 11 Ca 0.01 0.05 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 1eef n GLU 11 Cb 0.15 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1eef n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eef s TYR 12 N -2.84 2.58 0.49 -0.32 1.51 -0.95 -5.13 117.35 112.69 1eef s TYR 12 Ca 0.17 -0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1eef s TYR 12 Cb 0.17 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1eef s TYR 12 CO 0.44 0.47 0.81 1.03 -1.11 0.00 0.00 175.55 177.19 1eef s ARG 13 N -2.59 3.57 -1.02 -0.62 0.52 -1.26 -4.15 118.95 113.40 1eef s ARG 13 Ca 0.22 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1eef s ARG 13 Cb -0.09 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1eef s ARG 13 CO 0.13 -0.23 0.00 0.09 0.02 0.00 0.00 175.30 175.31 1eef n ASN 14 N -2.23 -4.95 -4.88 0.23 4.13 -1.26 -4.97 115.26 101.32 1eef n ASN 14 Ca 0.01 0.24 -0.21 0.00 1.68 0.00 0.00 54.58 56.30 1eef n ASN 14 Cb 0.55 -3.30 -0.03 0.00 -1.54 0.00 0.00 39.78 35.46 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1eef s THR 15 N -2.09 2.92 -0.28 3.41 -4.23 -1.26 -0.67 115.64 113.44 1eef s THR 15 Ca 0.00 -1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 58.94 1eef s THR 15 Cb 0.00 -3.05 0.11 0.00 1.34 0.00 0.00 72.50 70.90 1eef s THR 15 CO 0.00 -0.04 0.94 -1.58 -0.54 0.00 0.00 174.62 173.40 1eef s GLN 16 N -4.12 0.60 -0.05 3.99 0.74 -0.04 -4.85 119.66 115.93 1eef s GLN 16 Ca 0.47 0.72 -0.20 0.00 0.05 0.00 0.00 55.36 56.39 1eef s GLN 16 Cb -0.04 0.29 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 1eef s GLN 16 CO 0.28 -0.07 0.58 0.42 -0.55 0.00 0.00 175.29 175.95 1eef s ILE 17 N 0.27 5.03 -0.19 -2.34 -1.09 -1.26 -0.96 121.20 120.67 1eef s ILE 17 Ca 0.02 1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1eef s ILE 17 Cb -0.05 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1eef s ILE 17 CO -0.04 0.35 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.58 1eef s TYR 18 N 0.27 2.85 -0.33 3.97 1.51 0.57 -4.97 117.35 121.22 1eef s TYR 18 Ca 0.31 -1.31 -0.23 0.00 -1.01 0.00 0.00 57.07 54.83 1eef s TYR 18 Cb -0.17 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1eef s TYR 18 CO 0.15 -0.67 0.77 0.99 -1.11 0.00 0.00 175.55 175.68 1eef s THR 19 N 1.30 4.78 -0.19 -0.71 2.01 -1.26 -0.90 115.64 120.67 1eef s THR 19 Ca 0.04 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.93 1eef s THR 19 Cb -0.14 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1eef s THR 19 CO -0.08 -0.31 -0.20 -0.38 -0.69 0.00 0.00 174.62 172.96 1eef n ILE 20 N 5.62 1.49 -3.75 1.82 2.08 0.12 -5.00 119.36 121.74 1eef n ILE 20 Ca 0.03 0.03 -0.24 0.00 0.56 0.00 0.00 62.75 63.12 1eef n ILE 20 Cb 0.48 -2.21 0.02 0.00 -0.75 0.00 0.00 39.64 37.18 1eef n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1eef n ASN 21 N -4.46 -2.06 -3.55 4.38 5.15 0.98 -4.96 115.26 110.74 1eef n ASN 21 Ca -0.24 -0.91 -0.07 0.00 -0.60 0.00 0.00 54.58 52.76 1eef n ASN 21 Cb 0.55 -3.67 -0.02 0.00 -0.53 0.00 0.00 39.78 36.11 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1eef s ASP 22 N -4.13 -0.30 0.50 1.20 2.15 -0.84 -4.91 116.67 110.35 1eef s ASP 22 Ca 0.13 -0.06 -0.09 0.00 0.43 0.00 0.00 52.55 52.96 1eef s ASP 22 Cb -0.04 0.36 -0.05 0.00 -0.30 0.00 0.00 42.92 42.89 1eef s ASP 22 CO 0.84 -0.59 0.87 -1.59 -0.17 0.00 0.00 175.17 174.52 1eef s LYS 23 N -3.02 3.66 0.24 4.34 -2.85 -1.26 -0.66 119.74 120.19 1eef s LYS 23 Ca 0.07 0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 55.23 1eef s LYS 23 Cb -0.01 -2.28 -0.10 0.00 -2.06 0.00 0.00 37.83 33.38 1eef s LYS 23 CO -0.07 -0.26 1.42 0.42 0.10 0.00 0.00 175.35 176.97 1eef s ILE 24 N -2.74 2.72 -0.10 3.79 1.01 -1.26 -4.71 121.20 119.90 1eef s ILE 24 Ca 0.52 0.60 -0.21 0.00 0.00 0.00 0.00 60.65 61.56 1eef s ILE 24 Cb -0.10 -3.38 -0.27 0.00 0.01 0.00 0.00 42.46 38.71 1eef s ILE 24 CO 0.42 0.10 0.68 0.25 0.00 0.00 0.00 174.94 176.38 1eef h LEU 25 N 5.05 0.29 -7.88 2.97 5.85 -0.84 -3.48 115.31 117.28 1eef h LEU 25 Ca -0.46 -0.88 -0.18 0.00 0.84 0.00 0.00 57.88 57.20 1eef h LEU 25 Cb 1.22 -0.10 -0.23 0.00 0.37 0.00 0.00 40.66 41.92 1eef h LEU 25 CO 0.77 1.41 -0.68 -0.94 -0.34 0.00 0.00 178.44 178.66 1eef s SER 26 N -6.83 0.14 -0.09 1.25 1.04 -1.02 -4.99 113.70 103.21 1eef s SER 26 Ca -0.19 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1eef s SER 26 Cb 0.02 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1eef s SER 26 CO 0.75 -0.22 -0.24 -0.47 0.98 0.00 0.00 173.24 174.05 1eef s TYR 27 N -1.02 2.47 -0.04 5.02 5.04 -1.26 -1.87 117.35 125.69 1eef s TYR 27 Ca -0.11 -0.95 0.03 0.00 -2.44 0.00 0.00 57.07 53.60 1eef s TYR 27 Cb -0.07 -1.65 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1eef s TYR 27 CO -0.00 -0.37 -0.14 0.99 -1.34 0.00 0.00 175.55 174.68 1eef s THR 28 N 0.24 1.23 -0.03 4.34 2.01 0.14 -5.00 115.64 118.58 1eef s THR 28 Ca -0.15 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1eef s THR 28 Cb -0.17 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.28 1eef s THR 28 CO 0.08 0.36 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.62 1eef s GLU 29 N 0.19 0.70 -0.03 4.92 2.12 -1.26 -0.11 118.70 125.23 1eef s GLU 29 Ca -0.06 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.18 1eef s GLU 29 Cb -0.12 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.56 1eef s GLU 29 CO 0.02 -0.01 -0.16 0.45 -0.54 0.00 0.00 175.26 175.02 1eef s SER 30 N 0.55 1.99 -0.08 -1.70 0.15 -0.57 -4.99 113.70 109.06 1eef s SER 30 Ca -0.07 -0.32 0.12 0.00 0.70 0.00 0.00 55.95 56.38 1eef s SER 30 Cb -0.10 -0.41 0.32 0.00 -1.71 0.00 0.00 66.02 64.11 1eef s SER 30 CO 0.00 0.17 1.24 1.15 1.20 0.00 0.00 173.24 177.00 1eef n MET 31 N 2.95 2.67 -2.25 5.44 0.00 -1.26 -2.81 117.12 121.85 1eef n MET 31 Ca -0.17 -2.28 -0.40 0.00 0.00 0.00 0.00 57.70 54.86 1eef n MET 31 Cb 0.54 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.29 1eef n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eef s ALA 32 N -1.86 3.40 -0.02 3.17 0.00 -1.26 -4.86 121.76 120.33 1eef s ALA 32 Ca 0.26 1.10 -0.35 0.00 0.00 0.00 0.00 51.96 52.97 1eef s ALA 32 Cb 0.19 -3.42 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 1eef s ALA 32 CO 0.09 -0.48 1.72 0.41 0.00 0.00 0.00 175.76 177.50 1eef n GLY 33 N 0.88 1.18 2.67 0.00 0.00 -1.26 -1.13 105.19 107.54 1eef n GLY 33 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1eef n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eef n LYS 34 N 5.11 -0.18 -2.72 1.61 5.02 -1.26 -4.84 118.16 120.90 1eef n LYS 34 Ca 0.21 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.50 1eef n LYS 34 Cb 0.26 -3.10 0.04 0.00 -0.02 0.00 0.00 35.03 32.21 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1eef n ARG 35 N -2.15 1.88 -2.62 1.97 5.12 -0.28 -4.99 116.66 115.58 1eef n ARG 35 Ca 0.00 -3.56 -0.41 0.00 -1.93 0.00 0.00 57.85 51.94 1eef n ARG 35 Cb 0.04 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 29.67 1eef n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1eef s GLU 36 N -3.69 3.59 0.33 5.56 8.01 -1.15 -4.26 118.70 127.10 1eef s GLU 36 Ca 0.30 -1.22 -0.09 0.00 0.01 0.00 0.00 54.97 53.97 1eef s GLU 36 Cb 0.35 -5.27 0.02 0.00 -4.31 0.00 0.00 34.13 24.91 1eef s GLU 36 CO -0.02 -2.13 0.56 0.00 0.01 0.00 0.00 175.26 173.68 1eef s MET 37 N 4.59 1.92 -0.02 1.61 0.23 -1.12 -4.08 119.30 122.42 1eef s MET 37 Ca 0.44 -1.55 0.04 0.00 -1.03 0.00 0.00 55.69 53.59 1eef s MET 37 Cb -0.01 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1eef s MET 37 CO -0.10 -0.83 -0.14 0.08 -2.03 0.00 0.00 175.02 172.00 1eef s VAL 38 N -3.08 1.15 -0.05 5.16 1.01 -1.21 -1.51 120.40 121.87 1eef s VAL 38 Ca 0.24 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1eef s VAL 38 Cb -0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1eef s VAL 38 CO 0.15 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.78 1eef s ILE 39 N -0.24 1.45 0.08 2.22 1.01 0.84 -1.66 121.20 124.90 1eef s ILE 39 Ca 0.04 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1eef s ILE 39 Cb -0.07 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1eef s ILE 39 CO -0.00 0.42 -0.19 0.27 0.00 0.00 0.00 174.94 175.44 1eef s ILE 40 N 0.13 1.54 0.05 2.92 -4.36 -0.47 0.29 121.20 121.31 1eef s ILE 40 Ca -0.06 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1eef s ILE 40 Cb -0.12 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 1eef s ILE 40 CO 0.03 -0.06 -0.06 0.42 0.24 0.00 0.00 174.94 175.51 1eef s THR 41 N -1.12 0.41 0.35 8.37 -4.23 -0.78 -1.17 115.64 117.47 1eef s THR 41 Ca 0.04 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 1eef s THR 41 Cb -0.10 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1eef s THR 41 CO 0.03 -0.60 0.15 -0.36 -0.54 0.00 0.00 174.62 173.31 1eef s PHE 42 N -2.19 2.68 -0.05 3.99 0.08 -0.32 -0.11 117.98 122.06 1eef s PHE 42 Ca -0.05 -0.42 0.27 0.00 0.12 0.00 0.00 56.93 56.85 1eef s PHE 42 Cb -0.05 -1.70 1.41 0.00 -0.57 0.00 0.00 43.02 42.11 1eef s PHE 42 CO -0.02 0.30 1.83 1.57 -0.10 0.00 0.00 175.22 178.80 1eef h LYS 43 N 1.52 0.00 0.00 0.44 2.10 -1.90 0.93 116.57 119.66 1eef h LYS 43 Ca -0.43 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.19 1eef h LYS 43 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1eef h LYS 43 CO 0.64 0.00 -0.15 0.66 -2.00 0.00 0.00 179.45 178.60 1eef h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.46 113.55 119.82 1eef h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1eef h SER 44 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1eef h SER 44 CO 0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1eef n GLY 45 N 0.24 2.46 3.63 -0.77 0.00 0.32 -5.07 105.19 106.01 1eef n GLY 45 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 1eef n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1eef n GLU 46 N -1.02 1.64 -5.13 1.61 1.02 -1.25 -4.64 120.64 112.86 1eef n GLU 46 Ca 0.00 0.59 -0.29 0.00 -0.02 0.00 0.00 57.16 57.43 1eef n GLU 46 Cb 0.00 -2.22 -0.16 0.00 -0.02 0.00 0.00 31.44 29.05 1eef n GLU 46 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 47 N 0.20 1.88 0.13 2.62 2.01 -1.26 -1.17 115.64 120.05 1eef s THR 47 Ca 0.75 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1eef s THR 47 Cb -0.77 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1eef s THR 47 CO 0.47 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 174.54 1eef s PHE 48 N -0.59 0.97 0.06 4.92 0.08 -0.32 -3.59 117.98 119.51 1eef s PHE 48 Ca 0.09 -1.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.06 1eef s PHE 48 Cb -0.09 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 1eef s PHE 48 CO -0.01 -0.31 -0.01 1.14 -0.10 0.00 0.00 175.22 175.93 1eef s GLN 49 N -3.94 0.65 -0.27 0.44 -2.07 0.11 -1.36 119.66 113.21 1eef s GLN 49 Ca 0.20 -1.22 -0.07 0.00 -1.82 0.00 0.00 55.36 52.45 1eef s GLN 49 Cb 0.07 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1eef s GLN 49 CO 0.00 -0.13 0.06 0.08 -1.32 0.00 0.00 175.29 173.98 1eef s VAL 50 N -3.93 4.01 0.81 3.63 1.01 -0.67 -0.45 120.40 124.81 1eef s VAL 50 Ca 0.08 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1eef s VAL 50 Cb 0.08 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1eef s VAL 50 CO -0.09 0.21 1.18 -1.61 0.00 0.00 0.00 175.10 174.78 1eef s GLU 51 N 1.54 1.68 0.34 2.72 2.02 -1.26 -3.29 118.70 122.45 1eef s GLU 51 Ca 0.04 1.63 -0.28 0.00 0.02 0.00 0.00 54.97 56.38 1eef s GLU 51 Cb -0.16 -1.79 -0.10 0.00 0.10 0.00 0.00 34.13 32.17 1eef s GLU 51 CO 0.02 -2.16 1.30 0.08 0.02 0.00 0.00 175.26 174.53 1eef s VAL 52 N -2.33 2.72 0.29 2.63 1.01 -1.26 -4.88 120.40 118.59 1eef s VAL 52 Ca 0.70 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 1eef s VAL 52 Cb -0.26 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1eef s VAL 52 CO 0.51 0.16 1.58 -2.65 0.00 0.00 0.00 175.10 174.71 1eef n PRO 53 N 0.72 2.66 -2.10 2.72 -0.02 -1.26 -4.94 135.00 132.78 1eef n PRO 53 Ca 0.00 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.39 1eef n PRO 53 Cb 0.42 -2.72 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 1eef n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eef n GLY 54 N 2.12 2.80 0.36 -1.23 0.00 -1.26 -5.03 105.19 102.95 1eef n GLY 54 Ca 0.09 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1eef n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1eef h SER 55 N 0.47 0.52 0.47 1.61 0.87 -2.03 -0.87 113.55 114.59 1eef h SER 55 Ca -0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1eef h SER 55 Cb 0.28 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1eef h SER 55 CO 0.09 0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 1eef n GLN 56 N -4.49 0.06 -3.65 2.24 0.00 -1.26 -4.70 117.38 105.58 1eef n GLN 56 Ca 0.12 0.21 -0.37 0.00 0.00 0.00 0.00 57.00 56.96 1eef n GLN 56 Cb 0.37 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.05 1eef n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eef s HIS 57 N -2.89 3.61 0.56 2.61 3.76 -0.33 -5.10 115.29 117.51 1eef s HIS 57 Ca 0.10 0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 55.69 1eef s HIS 57 Cb 0.10 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.64 1eef s HIS 57 CO 0.27 0.58 0.83 0.96 -0.85 0.00 0.00 174.74 176.53 1eef s ILE 58 N -0.67 3.50 0.21 0.60 -4.36 -1.26 -4.89 121.20 114.34 1eef s ILE 58 Ca 0.18 -0.25 -0.12 0.00 -0.26 0.00 0.00 60.65 60.21 1eef s ILE 58 Cb -0.14 -3.36 0.21 0.00 1.25 0.00 0.00 42.46 40.42 1eef s ILE 58 CO 0.07 -0.33 1.65 0.44 0.24 0.00 0.00 174.94 177.01 1eef h ASP 59 N -0.02 -0.41 0.05 4.36 3.32 -1.98 -1.86 116.42 119.87 1eef h ASP 59 Ca -0.45 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1eef h ASP 59 Cb 1.27 0.33 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1eef h ASP 59 CO 0.59 -0.16 0.00 0.77 -1.72 0.00 0.00 179.24 178.72 1eef h SER 60 N 0.06 0.00 1.68 6.45 4.64 -2.05 -2.06 113.55 122.27 1eef h SER 60 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1eef h SER 60 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1eef h SER 60 CO -0.58 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 176.71 1eef h GLN 61 N 0.00 0.00 -0.19 4.77 4.20 -1.71 -3.35 115.11 118.83 1eef h GLN 61 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1eef h GLN 61 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 1eef h GLN 61 CO 0.00 0.00 -0.25 0.87 -0.67 0.00 0.00 178.83 178.78 1eef h LYS 62 N 0.00 -0.27 -0.16 1.46 1.79 -1.45 0.24 116.57 118.19 1eef h LYS 62 Ca 0.00 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 1eef h LYS 62 Cb 0.95 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1eef h LYS 62 CO 0.00 -0.18 -0.28 0.87 -1.08 0.00 0.00 179.45 178.78 1eef h LYS 63 N -0.28 0.30 -0.23 3.15 1.57 -1.77 -2.82 116.57 116.48 1eef h LYS 63 Ca 0.12 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1eef h LYS 63 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1eef h LYS 63 CO -0.35 0.56 -0.39 0.00 -0.57 0.00 0.00 179.45 178.70 1eef h ALA 64 N 1.45 0.89 -0.53 3.86 0.00 -1.42 -1.04 119.26 122.47 1eef h ALA 64 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1eef h ALA 64 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1eef h ALA 64 CO 0.05 0.63 0.24 0.82 0.00 0.00 0.00 179.25 180.99 1eef h ILE 65 N 0.44 1.20 -0.43 0.00 2.04 -0.32 -0.54 117.51 119.91 1eef h ILE 65 Ca 0.04 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1eef h ILE 65 Cb 0.87 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1eef h ILE 65 CO 0.07 0.23 -0.05 -0.33 0.00 0.00 0.00 178.15 178.08 1eef h GLU 66 N 0.71 0.73 -0.24 2.37 4.39 -1.29 -2.63 114.58 118.62 1eef h GLU 66 Ca 0.18 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1eef h GLU 66 Cb 0.14 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1eef h GLU 66 CO -0.02 0.77 0.04 -0.09 -1.16 0.00 0.00 179.01 178.55 1eef h ARG 67 N 0.67 0.40 -0.65 2.33 2.43 -0.75 -1.22 114.38 117.60 1eef h ARG 67 Ca 0.13 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1eef h ARG 67 Cb 0.49 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1eef h ARG 67 CO 0.03 0.53 0.36 1.98 -1.51 0.00 0.00 179.97 181.36 1eef h MET 68 N 0.20 0.65 -0.60 0.20 4.05 -0.92 0.25 114.93 118.75 1eef h MET 68 Ca 0.07 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1eef h MET 68 Cb 0.33 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1eef h MET 68 CO 0.01 0.43 0.31 0.87 0.23 0.00 0.00 176.91 178.76 1eef h LYS 69 N 0.67 0.85 -0.64 0.39 1.57 -1.18 0.35 116.57 118.59 1eef h LYS 69 Ca 0.29 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1eef h LYS 69 Cb 0.16 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1eef h LYS 69 CO -0.17 0.67 0.41 -0.44 -0.57 0.00 0.00 179.45 179.35 1eef h ASP 70 N 0.82 0.68 -0.55 0.86 3.32 -0.22 -1.81 116.42 119.52 1eef h ASP 70 Ca 0.21 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1eef h ASP 70 Cb 0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1eef h ASP 70 CO -0.03 0.48 0.26 0.74 -1.72 0.00 0.00 179.24 178.97 1eef h THR 71 N 0.81 1.20 -0.49 0.35 2.02 -0.01 -2.53 112.91 114.26 1eef h THR 71 Ca 0.25 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 1eef h THR 71 Cb -0.03 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1eef h THR 71 CO -0.08 0.23 0.01 -0.07 0.37 0.00 0.00 175.52 175.98 1eef h LEU 72 N 0.73 0.77 0.10 2.58 3.38 -0.52 -1.05 115.31 121.30 1eef h LEU 72 Ca 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eef h LEU 72 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1eef h LEU 72 CO -0.02 0.83 -0.05 -0.09 0.09 0.00 0.00 178.44 179.19 1eef h ARG 73 N 0.75 -0.13 -0.33 1.13 2.43 -1.14 -1.02 114.38 116.06 1eef h ARG 73 Ca 0.15 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1eef h ARG 73 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1eef h ARG 73 CO 0.02 0.03 -0.18 0.97 -1.51 0.00 0.00 179.97 179.29 1eef h ILE 74 N -0.26 1.26 -0.69 1.20 6.09 -1.39 -0.68 117.51 123.03 1eef h ILE 74 Ca -0.01 -1.19 -0.07 0.00 -1.37 0.00 0.00 64.86 62.21 1eef h ILE 74 Cb 0.22 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 1eef h ILE 74 CO 0.02 0.39 0.14 0.71 -3.07 0.00 0.00 178.15 176.34 1eef h THR 75 N 0.54 1.26 0.44 2.19 1.35 -1.06 -1.31 112.91 116.33 1eef h THR 75 Ca 0.09 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.92 1eef h THR 75 Cb 0.62 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1eef h THR 75 CO 0.04 0.38 -0.21 0.22 -0.25 0.00 0.00 175.52 175.70 1eef h TYR 76 N 1.05 -0.55 -0.80 4.73 3.20 -0.83 -1.70 116.97 122.07 1eef h TYR 76 Ca 0.21 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.22 1eef h TYR 76 Cb 0.41 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1eef h TYR 76 CO 0.03 -0.26 0.53 -0.07 -1.64 0.00 0.00 178.16 176.75 1eef h LEU 77 N -0.78 0.47 -1.22 2.82 3.38 -1.01 -1.28 115.31 117.69 1eef h LEU 77 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1eef h LEU 77 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1eef h LEU 77 CO 0.10 0.24 0.00 0.35 0.09 0.00 0.00 178.44 179.22 1eef n THR 78 N -4.50 0.05 -3.83 0.22 -2.24 -0.51 -4.94 114.28 98.53 1eef n THR 78 Ca 0.15 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1eef n THR 78 Cb 0.51 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1eef n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eef n GLU 79 N 0.47 -5.34 -2.68 -0.78 1.02 -0.48 -4.94 120.64 107.91 1eef n GLU 79 Ca 0.18 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.51 1eef n GLU 79 Cb 0.41 -5.48 -0.04 0.00 -0.02 0.00 0.00 31.44 26.30 1eef n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 80 N -3.26 4.36 0.12 2.62 2.01 -0.72 -4.86 115.64 115.91 1eef s THR 80 Ca 0.63 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 64.29 1eef s THR 80 Cb -0.32 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 67.87 1eef s THR 80 CO 0.78 0.30 1.22 -0.75 -0.69 0.00 0.00 174.62 175.48 1eef s LYS 81 N -0.05 4.45 -0.09 4.92 2.20 -1.26 -4.40 119.74 125.52 1eef s LYS 81 Ca 0.48 1.85 -0.13 0.00 -0.36 0.00 0.00 55.97 57.81 1eef s LYS 81 Cb -0.25 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1eef s LYS 81 CO 0.31 -0.20 0.30 0.42 -0.36 0.00 0.00 175.35 175.83 1eef s ILE 82 N 0.56 5.25 0.00 5.43 1.01 0.16 -4.43 121.20 129.18 1eef s ILE 82 Ca 0.57 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1eef s ILE 82 Cb -0.32 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1eef s ILE 82 CO 0.33 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 175.11 1eef n ASP 83 N 2.52 0.00 -4.30 3.58 2.03 0.23 -0.01 116.55 120.59 1eef n ASP 83 Ca -0.15 0.20 -0.17 0.00 0.52 0.00 0.00 54.79 55.20 1eef n ASP 83 Cb 0.53 -0.27 -0.10 0.00 -0.72 0.00 0.00 41.12 40.56 1eef n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1eef s LYS 84 N -0.54 1.20 -0.06 -0.67 1.02 -1.11 0.14 119.74 119.72 1eef s LYS 84 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 55.97 54.50 1eef s LYS 84 Cb 0.00 -0.93 0.02 0.00 -0.52 0.00 0.00 37.83 36.40 1eef s LYS 84 CO 0.00 0.15 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.97 1eef s LEU 85 N -3.17 1.51 -0.22 3.17 1.43 -0.08 -0.73 118.68 120.59 1eef s LEU 85 Ca 0.19 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 1eef s LEU 85 Cb -0.00 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1eef s LEU 85 CO 0.04 -0.00 0.34 0.00 0.23 0.00 0.00 176.35 176.96 1eef s VAL 87 N 1.40 0.90 -0.34 0.00 -7.23 -0.13 -0.11 120.40 114.89 1eef s VAL 87 Ca 0.16 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 1eef s VAL 87 Cb -0.15 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1eef s VAL 87 CO 0.08 -0.76 0.52 0.26 -0.31 0.00 0.00 175.10 174.89 1eef s TRP 88 N -3.26 3.18 -1.88 2.82 0.51 0.21 -0.86 118.94 119.66 1eef s TRP 88 Ca 0.12 0.24 0.10 0.00 -2.12 0.00 0.00 56.10 54.44 1eef s TRP 88 Cb 0.03 -2.92 0.31 0.00 -0.81 0.00 0.00 33.47 30.07 1eef s TRP 88 CO -0.02 -0.52 1.23 0.27 -0.51 0.00 0.00 176.95 177.40 1eef n ASN 89 N 5.75 1.94 -0.71 2.95 0.23 0.16 -2.07 115.26 123.50 1eef n ASN 89 Ca -0.04 -2.04 0.05 0.00 -0.53 0.00 0.00 54.58 52.02 1eef n ASN 89 Cb 0.49 -0.26 0.15 0.00 -2.08 0.00 0.00 39.78 38.08 1eef n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eef n ASN 90 N 0.48 2.03 -4.26 0.53 6.94 -1.26 -4.83 115.26 114.88 1eef n ASN 90 Ca 0.11 -2.10 -0.17 0.00 -0.02 0.00 0.00 54.58 52.41 1eef n ASN 90 Cb 0.32 -0.30 -0.11 0.00 -2.36 0.00 0.00 39.78 37.33 1eef n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eef s LYS 91 N -1.62 1.08 -0.09 -3.83 -0.14 -1.25 -5.09 119.74 108.81 1eef s LYS 91 Ca 0.22 -1.35 -0.01 0.00 -1.36 0.00 0.00 55.97 53.47 1eef s LYS 91 Cb 0.13 -0.86 0.03 0.00 -1.68 0.00 0.00 37.83 35.44 1eef s LYS 91 CO 0.13 0.15 -0.03 0.99 -0.76 0.00 0.00 175.35 175.83 1eef s THR 92 N -2.59 0.63 0.98 2.17 2.01 -1.26 -3.09 115.64 114.50 1eef s THR 92 Ca 0.13 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1eef s THR 92 Cb -0.02 -0.74 0.18 0.00 0.01 0.00 0.00 72.50 71.92 1eef s THR 92 CO 0.03 0.29 1.09 -2.84 -0.69 0.00 0.00 174.62 172.50 1eef s PRO 93 N 1.87 0.53 0.36 4.92 0.02 -1.26 -5.04 135.00 136.41 1eef s PRO 93 Ca 0.05 1.09 -0.28 0.00 0.02 0.00 0.00 61.00 61.87 1eef s PRO 93 Cb -0.12 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 1eef s PRO 93 CO -0.06 -2.81 1.49 0.09 -0.33 0.00 0.00 177.00 175.38 1eef n ASN 94 N -4.31 3.75 -4.66 2.53 5.03 -1.18 -4.49 115.26 111.93 1eef n ASN 94 Ca 0.07 1.22 -0.40 0.00 0.87 0.00 0.00 54.58 56.34 1eef n ASN 94 Cb 0.54 -1.61 -0.06 0.00 -1.02 0.00 0.00 39.78 37.63 1eef n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1eef s SER 95 N -0.05 6.63 -0.09 6.41 0.15 -0.88 -0.71 113.70 125.16 1eef s SER 95 Ca 0.55 0.77 -0.30 0.00 0.70 0.00 0.00 55.95 57.67 1eef s SER 95 Cb -0.48 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 1eef s SER 95 CO 0.62 -0.23 1.46 -0.63 1.20 0.00 0.00 173.24 175.66 1eef s ILE 96 N 1.77 3.89 -0.25 6.45 1.01 0.40 -0.62 121.20 133.85 1eef s ILE 96 Ca 0.27 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 1eef s ILE 96 Cb -0.16 -3.71 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1eef s ILE 96 CO 0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 174.94 174.78 1eef n ALA 97 N 6.70 1.34 -3.00 9.38 0.00 0.85 -4.88 120.51 130.89 1eef n ALA 97 Ca 0.15 -1.04 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 1eef n ALA 97 Cb 0.44 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 1eef n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eef s ALA 98 N -2.52 -0.92 0.02 0.00 0.00 -0.89 -4.97 121.76 112.48 1eef s ALA 98 Ca -0.34 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1eef s ALA 98 Cb 0.09 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1eef s ALA 98 CO 0.61 -0.62 -0.04 -1.50 0.00 0.00 0.00 175.76 174.20 1eef s ILE 99 N -3.69 0.22 0.05 0.00 2.07 -1.26 -0.79 121.20 117.80 1eef s ILE 99 Ca 0.02 -0.75 0.05 0.00 -1.41 0.00 0.00 60.65 58.56 1eef s ILE 99 Cb 0.02 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1eef s ILE 99 CO -0.11 -0.34 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.50 1eef s SER 100 N -1.15 1.61 -0.08 4.50 1.04 0.09 -4.99 113.70 114.73 1eef s SER 100 Ca -0.10 -0.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 1eef s SER 100 Cb -0.08 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.00 1eef s SER 100 CO -0.00 -0.03 0.19 -0.04 0.98 0.00 0.00 173.24 174.34 1eef s MET 101 N -1.41 0.19 0.09 4.02 -1.94 -1.26 -0.60 119.30 118.38 1eef s MET 101 Ca -0.01 0.33 0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1eef s MET 101 Cb -0.09 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.72 1eef s MET 101 CO 0.02 -0.08 -0.06 -1.59 -0.01 0.00 0.00 175.02 173.30 1eef s LYS 102 N 0.52 0.80 0.00 2.03 -2.85 -1.26 -4.92 119.74 114.07 1eef s LYS 102 Ca -0.04 -1.31 0.05 0.00 -1.00 0.00 0.00 55.97 53.67 1eef s LYS 102 Cb -0.05 -0.16 0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1eef s LYS 102 CO -0.03 -0.03 0.65 0.09 0.10 0.00 0.00 175.35 176.13