#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 1.73 0.02 3.44 -0.21 -1.26 -3.21 119.66 120.16 1bw3 s GLN 2 Ca 0.00 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1bw3 s GLN 2 Cb 0.00 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.40 1bw3 s GLN 2 CO 0.00 0.37 -0.11 0.00 -2.12 0.00 0.00 175.29 173.43 1bw3 s ALA 3 N -0.30 0.94 0.48 6.09 0.00 -0.79 -4.99 121.76 123.19 1bw3 s ALA 3 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1bw3 s ALA 3 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1bw3 s ALA 3 CO 0.00 0.17 0.07 0.27 0.00 0.00 0.00 175.76 176.28 1bw3 n ASN 4 N 2.14 2.40 -3.67 0.00 6.94 -1.26 -0.94 115.26 120.87 1bw3 n ASN 4 Ca -0.17 -3.28 -0.21 0.00 -0.02 0.00 0.00 54.58 50.90 1bw3 n ASN 4 Cb 0.55 0.70 0.01 0.00 -2.36 0.00 0.00 39.78 38.68 1bw3 n ASN 4 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1bw3 n ASP 5 N -1.40 -2.21 -4.69 0.53 9.92 -1.10 -4.90 116.55 112.69 1bw3 n ASP 5 Ca -0.14 -0.62 -0.23 0.00 -0.53 0.00 0.00 54.79 53.27 1bw3 n ASP 5 Cb 0.65 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bw3 s VAL 6 N -3.66 3.70 -0.06 2.53 1.01 -0.76 -4.93 120.40 118.25 1bw3 s VAL 6 Ca 0.17 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 1bw3 s VAL 6 Cb -0.09 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1bw3 s VAL 6 CO 0.49 -0.36 0.55 0.00 0.00 0.00 0.00 175.10 175.78 1bw3 s ARG 7 N -3.68 4.32 -0.39 2.72 1.70 -1.26 -2.73 118.95 119.62 1bw3 s ARG 7 Ca 0.32 0.63 0.03 0.00 -0.47 0.00 0.00 55.73 56.23 1bw3 s ARG 7 Cb -0.07 -3.38 0.11 0.00 -0.57 0.00 0.00 34.95 31.04 1bw3 s ARG 7 CO 0.21 0.27 0.14 0.00 -1.08 0.00 0.00 175.30 174.83 1bw3 s ALA 8 N 0.20 2.70 -0.10 7.88 0.00 -0.79 -4.26 121.76 127.39 1bw3 s ALA 8 Ca 0.30 -2.60 -0.02 0.00 0.00 0.00 0.00 51.96 49.63 1bw3 s ALA 8 Cb -0.17 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1bw3 s ALA 8 CO 0.14 -1.82 0.00 0.95 0.00 0.00 0.00 175.76 175.04 1bw3 s THR 9 N 0.63 4.31 0.37 0.00 -4.23 -1.26 -1.75 115.64 113.71 1bw3 s THR 9 Ca 0.13 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1bw3 s THR 9 Cb -0.21 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 1bw3 s THR 9 CO -0.08 0.59 0.04 -0.72 -0.54 0.00 0.00 174.62 173.91 1bw3 s TYR 10 N -0.68 2.16 0.10 3.99 -0.85 -1.26 -4.82 117.35 116.00 1bw3 s TYR 10 Ca 0.11 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 1bw3 s TYR 10 Cb -0.12 -1.48 -0.00 0.00 0.38 0.00 0.00 41.96 40.74 1bw3 s TYR 10 CO 0.02 0.17 0.12 -2.39 -1.52 0.00 0.00 175.55 171.95 1bw3 n HIS 11 N -0.83 -0.59 -3.54 -3.49 1.44 -1.20 -5.09 115.22 101.93 1bw3 n HIS 11 Ca -0.04 -0.69 -0.35 0.00 -2.01 0.00 0.00 57.72 54.63 1bw3 n HIS 11 Cb 0.67 0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.85 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1bw3 n TYR 12 N -0.16 3.82 -3.58 -1.40 4.01 -1.26 -4.64 117.16 113.93 1bw3 n TYR 12 Ca 0.01 -3.96 -0.12 0.00 -0.16 0.00 0.00 57.90 53.66 1bw3 n TYR 12 Cb 0.16 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.06 1bw3 n TYR 12 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1bw3 s TYR 13 N -1.76 -0.55 0.00 -0.72 1.13 -1.26 -5.12 117.35 109.07 1bw3 s TYR 13 Ca 0.30 0.95 0.00 0.00 -1.41 0.00 0.00 57.07 56.91 1bw3 s TYR 13 Cb -0.01 -0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 1bw3 s TYR 13 CO -0.08 -0.48 0.00 -2.13 -2.51 0.00 0.00 175.55 170.35 1bw3 n ARG 14 N 5.36 0.00 0.11 -3.49 0.63 -1.26 -4.56 116.66 113.45 1bw3 n ARG 14 Ca -0.06 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.77 1bw3 n ARG 14 Cb 0.50 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.34 1bw3 n ARG 14 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1bw3 h PRO 15 N 0.00 -0.33 -0.51 -0.14 0.11 -1.98 -3.39 132.00 125.76 1bw3 h PRO 15 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1bw3 h PRO 15 Cb 0.00 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1bw3 h PRO 15 CO 0.00 -0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.78 1bw3 n ALA 16 N -2.63 2.28 -0.10 -0.75 0.00 -1.26 -1.53 120.51 116.52 1bw3 n ALA 16 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 1bw3 n ALA 16 Cb 0.24 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw3 h GLN 17 N 0.10 0.00 -2.19 0.00 4.15 -1.96 -3.39 115.11 111.82 1bw3 h GLN 17 Ca 0.00 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.71 1bw3 h GLN 17 Cb 0.26 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 27.61 1bw3 h GLN 17 CO 0.00 0.88 0.32 -1.71 -1.93 0.00 0.00 178.83 176.39 1bw3 n ASN 18 N -4.46 6.18 -3.36 -0.69 4.05 -1.24 -4.91 115.26 110.84 1bw3 n ASN 18 Ca -0.29 -3.71 -0.19 0.00 0.45 0.00 0.00 54.58 50.85 1bw3 n ASN 18 Cb 0.63 -0.89 -0.05 0.00 1.23 0.00 0.00 39.78 40.69 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw3 n ASN 19 N -0.20 -0.03 -3.99 1.20 5.15 -1.26 0.42 115.26 116.55 1bw3 n ASN 19 Ca 0.41 -0.68 -0.29 0.00 -0.60 0.00 0.00 54.58 53.42 1bw3 n ASN 19 Cb 0.33 -0.86 -0.01 0.00 -0.53 0.00 0.00 39.78 38.72 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bw3 n TRP 20 N -2.74 -1.83 -2.20 1.20 7.02 -0.58 -4.80 117.44 113.51 1bw3 n TRP 20 Ca -0.09 0.80 -0.42 0.00 -1.02 0.00 0.00 57.50 56.77 1bw3 n TRP 20 Cb 0.33 -3.65 0.00 0.00 -2.42 0.00 0.00 31.31 25.57 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N -2.88 5.43 0.00 -0.99 -0.08 0.17 -4.52 116.55 113.67 1bw3 n ASP 21 Ca -0.14 -3.07 0.04 0.00 -1.51 0.00 0.00 54.79 50.10 1bw3 n ASP 21 Cb 0.60 -1.48 0.24 0.00 2.34 0.00 0.00 41.12 42.82 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw3 n LEU 22 N 3.81 0.00 -0.03 -2.67 4.32 -1.26 -1.13 117.00 120.04 1bw3 n LEU 22 Ca 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.33 1bw3 n LEU 22 Cb 0.35 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.01 1bw3 n LEU 22 CO 0.81 0.00 -0.66 0.61 -1.22 0.00 0.00 177.39 176.93 1bw3 n GLY 23 N -0.38 -0.90 0.72 -0.72 0.00 -1.26 0.35 105.19 103.00 1bw3 n GLY 23 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 n ALA 24 N -2.67 -1.29 -0.22 4.61 0.00 -0.28 -2.63 120.51 118.03 1bw3 n ALA 24 Ca -0.22 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1bw3 n ALA 24 Cb 1.06 -0.35 0.02 0.00 0.00 0.00 0.00 19.45 20.18 1bw3 n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bw3 n PRO 25 N 0.26 -0.13 -0.27 0.00 -0.04 -1.26 -0.02 135.00 133.53 1bw3 n PRO 25 Ca 0.04 0.86 0.05 0.00 -0.04 0.00 0.00 63.50 64.41 1bw3 n PRO 25 Cb 0.04 -1.28 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 26 N -3.70 2.68 0.00 0.55 0.00 -1.26 -4.19 120.51 114.60 1bw3 n ALA 26 Ca 0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 1bw3 n ALA 26 Cb 0.22 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N 0.49 0.91 -4.04 0.00 0.31 0.97 -5.07 118.33 111.89 1bw3 n VAL 27 Ca 0.13 0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 64.24 1bw3 n VAL 27 Cb 0.44 -1.68 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.53 -3.33 -4.76 4.52 3.41 -0.56 -4.92 113.62 104.45 1bw3 n SER 28 Ca -0.06 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 57.05 1bw3 n SER 28 Cb 0.30 -1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 62.86 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -3.78 3.29 0.00 7.33 0.00 0.15 -4.94 121.76 123.82 1bw3 s ALA 29 Ca 0.41 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1bw3 s ALA 29 Cb -0.23 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1bw3 s ALA 29 CO 0.82 0.18 0.65 0.98 0.00 0.00 0.00 175.76 178.38 1bw3 n TYR 30 N 1.09 0.00 1.94 0.00 4.19 -1.26 -2.07 117.16 121.05 1bw3 n TYR 30 Ca -0.00 0.00 0.16 0.00 3.31 0.00 0.00 57.90 61.37 1bw3 n TYR 30 Cb 0.48 -0.28 0.92 0.00 0.49 0.00 0.00 39.34 40.95 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 n ALA 32 N -0.97 -0.13 -0.31 0.00 0.00 -0.88 0.40 120.51 118.61 1bw3 n ALA 32 Ca 0.23 0.65 0.21 0.00 0.00 0.00 0.00 53.44 54.53 1bw3 n ALA 32 Cb 0.13 -0.27 0.49 0.00 0.00 0.00 0.00 19.45 19.80 1bw3 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw3 h THR 33 N 0.00 0.57 0.00 0.00 2.02 -1.80 0.30 112.91 114.00 1bw3 h THR 33 Ca 0.22 -0.15 -0.29 0.00 0.77 0.00 0.00 66.41 66.96 1bw3 h THR 33 Cb 0.38 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 1bw3 h THR 33 CO -0.66 0.08 -2.17 0.79 0.37 0.00 0.00 175.52 173.93 1bw3 n TRP 34 N -4.63 0.20 -0.13 3.16 8.01 0.16 -4.72 117.44 119.50 1bw3 n TRP 34 Ca 0.24 0.07 -0.25 0.00 -1.31 0.00 0.00 57.50 56.25 1bw3 n TRP 34 Cb 0.81 -0.96 -0.11 0.00 -2.01 0.00 0.00 31.31 29.05 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw3 n ASP 35 N -2.72 1.97 -0.41 -0.99 9.92 0.33 -4.56 116.55 120.08 1bw3 n ASP 35 Ca -0.25 0.18 0.34 0.00 -0.53 0.00 0.00 54.79 54.54 1bw3 n ASP 35 Cb 1.03 -0.70 0.66 0.00 -0.64 0.00 0.00 41.12 41.47 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 h ALA 36 N -0.57 2.84 -0.02 2.24 0.00 -0.60 0.24 119.26 123.39 1bw3 h ALA 36 Ca -0.62 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bw3 h ALA 36 Cb 1.71 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1bw3 h ALA 36 CO -0.27 -1.31 0.00 -1.13 0.00 0.00 0.00 179.25 176.53 1bw3 n SER 37 N -4.43 0.17 -4.91 0.00 3.41 -1.26 -4.87 113.62 101.73 1bw3 n SER 37 Ca 0.31 -1.66 -0.27 0.00 -0.26 0.00 0.00 58.87 56.99 1bw3 n SER 37 Cb 1.29 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1bw3 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw3 s LYS 38 N -1.97 3.55 1.14 4.33 3.01 0.84 -5.07 119.74 125.57 1bw3 s LYS 38 Ca 0.18 0.19 -0.17 0.00 -1.01 0.00 0.00 55.97 55.16 1bw3 s LYS 38 Cb 0.09 -2.39 0.27 0.00 -1.01 0.00 0.00 37.83 34.79 1bw3 s LYS 38 CO 0.14 -0.18 0.61 -0.35 0.51 0.00 0.00 175.35 176.08 1bw3 n PRO 39 N -2.19 -3.17 0.09 -1.68 -0.04 -1.26 -4.92 135.00 121.83 1bw3 n PRO 39 Ca 0.00 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.38 1bw3 n PRO 39 Cb 0.55 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N 0.00 0.11 0.00 1.53 -0.00 -1.97 -3.35 115.31 111.63 1bw3 h LEU 40 Ca -0.28 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1bw3 h LEU 40 Cb 0.93 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1bw3 h LEU 40 CO 0.17 0.88 0.00 -1.20 -0.00 0.00 0.00 178.44 178.29 1bw3 n SER 41 N -3.63 0.00 -0.20 -0.43 7.64 -1.26 -0.28 113.62 115.46 1bw3 n SER 41 Ca -0.02 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1bw3 n SER 41 Cb 0.78 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.08 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw3 h TRP 42 N 0.00 0.21 0.28 1.43 7.01 -1.97 0.68 115.95 123.59 1bw3 h TRP 42 Ca 0.00 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1bw3 h TRP 42 Cb 0.00 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 1bw3 h TRP 42 CO 0.00 -0.02 -0.45 0.00 -2.79 0.00 0.00 178.44 175.18 1bw3 h ARG 43 N 0.27 -0.74 -0.43 2.65 3.08 -1.67 -2.24 114.38 115.31 1bw3 h ARG 43 Ca 0.31 0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.28 1bw3 h ARG 43 Cb 0.45 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1bw3 h ARG 43 CO -0.39 -0.49 -0.25 0.66 -1.07 0.00 0.00 179.97 178.43 1bw3 h SER 44 N -0.77 0.91 -0.56 7.04 4.64 -0.49 -3.26 113.55 121.05 1bw3 h SER 44 Ca -0.03 -0.35 0.10 0.00 -0.47 0.00 0.00 61.79 61.04 1bw3 h SER 44 Cb 0.71 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.44 1bw3 h SER 44 CO -0.15 1.11 -0.33 0.50 -0.87 0.00 0.00 176.83 177.09 1bw3 h LYS 45 N 0.76 -0.17 0.00 4.77 3.64 -0.70 -3.45 116.57 121.43 1bw3 h LYS 45 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1bw3 h LYS 45 Cb 0.80 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1bw3 h LYS 45 CO 0.07 -0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.80 1bw3 n TYR 46 N -5.43 -3.10 -2.79 1.91 4.01 -0.86 -5.09 117.16 105.82 1bw3 n TYR 46 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 1bw3 n TYR 46 Cb 0.35 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.41 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bw3 s GLY 47 N -2.53 1.87 -0.51 2.72 0.00 -1.24 -4.75 107.32 102.88 1bw3 s GLY 47 Ca 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 44.72 43.29 1bw3 s GLY 47 CO 0.00 -1.23 0.53 0.79 0.00 0.00 0.00 173.10 173.19 1bw3 n TRP 48 N -2.17 1.08 -4.18 1.90 7.02 -1.26 -3.50 117.44 116.33 1bw3 n TRP 48 Ca 0.08 -3.77 -0.23 0.00 -1.02 0.00 0.00 57.50 52.56 1bw3 n TRP 48 Cb 0.60 -0.30 -0.07 0.00 -2.42 0.00 0.00 31.31 29.11 1bw3 n TRP 48 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1bw3 s THR 49 N -1.27 3.18 0.00 -0.99 -1.32 -0.94 0.17 115.64 114.47 1bw3 s THR 49 Ca 0.34 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 1bw3 s THR 49 Cb 0.10 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1bw3 s THR 49 CO -0.12 -0.25 0.00 0.00 -2.21 0.00 0.00 174.62 172.04 1bw3 n ALA 50 N -1.05 0.00 -3.68 11.08 0.00 0.53 -2.36 120.51 125.02 1bw3 n ALA 50 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1bw3 n ALA 50 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 1bw3 n ALA 50 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1bw3 s PHE 51 N 0.63 -0.38 0.00 0.00 5.36 0.10 -4.81 117.98 118.87 1bw3 s PHE 51 Ca 0.00 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1bw3 s PHE 51 Cb 0.00 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1bw3 s PHE 51 CO 0.00 -0.32 0.00 0.00 -1.46 0.00 0.00 175.22 173.44 1bw3 n GLY 53 N 4.80 1.48 0.00 0.00 0.00 -1.26 -5.03 105.19 105.17 1bw3 n GLY 53 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1bw3 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 54 N -0.42 0.00 -3.65 1.61 -0.04 -1.26 -5.04 135.00 126.20 1bw3 n PRO 54 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1bw3 n PRO 54 Cb 0.84 -0.51 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 s ALA 55 N -3.66 -1.92 0.00 0.55 0.00 -1.26 -5.12 121.76 110.35 1bw3 s ALA 55 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1bw3 s ALA 55 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1bw3 s ALA 55 CO 0.00 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1bw3 n GLY 56 N 5.12 2.72 3.55 0.00 0.00 -1.26 -4.75 105.19 110.57 1bw3 n GLY 56 Ca -0.14 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N -1.48 2.67 -0.16 1.61 0.04 -1.26 -4.90 135.00 131.52 1bw3 s PRO 57 Ca 0.00 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.33 1bw3 s PRO 57 Cb 0.00 -4.37 0.07 0.00 0.04 0.00 0.00 34.50 30.23 1bw3 s PRO 57 CO 0.00 -2.69 0.66 0.50 0.04 0.00 0.00 177.00 175.51 1bw3 s ARG 58 N 6.94 0.89 0.41 4.56 3.00 -1.26 -5.15 118.95 128.35 1bw3 s ARG 58 Ca 0.65 0.62 0.01 0.00 -1.00 0.00 0.00 55.73 56.01 1bw3 s ARG 58 Cb -0.12 0.43 -0.01 0.00 0.00 0.00 0.00 34.95 35.25 1bw3 s ARG 58 CO 0.20 -0.19 0.62 0.20 0.00 0.00 0.00 175.30 176.13 1bw3 s GLY 59 N -0.34 1.53 0.51 8.12 0.00 -1.26 -4.90 107.32 110.99 1bw3 s GLY 59 Ca -0.05 -1.10 0.30 0.00 0.00 0.00 0.00 44.72 43.87 1bw3 s GLY 59 CO 0.05 -0.96 1.91 1.46 0.00 0.00 0.00 173.10 175.56 1bw3 h GLN 60 N 0.54 0.00 -0.92 2.90 4.20 -1.91 0.58 115.11 120.50 1bw3 h GLN 60 Ca -0.47 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 1bw3 h GLN 60 Cb 1.25 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.96 1bw3 h GLN 60 CO 0.57 0.00 0.15 0.00 -0.67 0.00 0.00 178.83 178.88 1bw3 n ALA 61 N -1.88 3.49 -2.10 3.87 0.00 -1.26 -4.43 120.51 118.20 1bw3 n ALA 61 Ca -0.02 -1.04 -0.38 0.00 0.00 0.00 0.00 53.44 51.99 1bw3 n ALA 61 Cb 0.15 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.49 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 0.01 6.40 -1.03 0.00 0.00 0.19 -4.78 120.51 121.31 1bw3 n ALA 62 Ca 0.19 -4.12 -0.30 0.00 0.00 0.00 0.00 53.44 49.21 1bw3 n ALA 62 Cb 0.84 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 3.65 0.89 3.53 0.00 0.00 -1.26 -5.08 105.19 106.92 1bw3 n GLY 64 Ca 0.62 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N 0.00 1.90 0.40 1.61 3.01 -0.74 -4.71 119.74 121.22 1bw3 s LYS 65 Ca 0.00 -1.57 0.05 0.00 -1.01 0.00 0.00 55.97 53.44 1bw3 s LYS 65 Cb 0.00 -1.95 -0.06 0.00 -1.01 0.00 0.00 37.83 34.81 1bw3 s LYS 65 CO 0.00 0.36 0.04 0.00 0.51 0.00 0.00 175.35 176.26 1bw3 s LEU 67 N -3.66 1.63 -0.26 0.00 1.43 0.16 -0.62 118.68 117.36 1bw3 s LEU 67 Ca 0.29 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 1bw3 s LEU 67 Cb 0.07 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1bw3 s LEU 67 CO 0.14 0.03 0.51 -0.60 0.23 0.00 0.00 176.35 176.67 1bw3 s ARG 68 N 0.61 4.07 -0.12 1.70 3.52 0.31 -0.13 118.95 128.90 1bw3 s ARG 68 Ca -0.12 0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1bw3 s ARG 68 Cb -0.15 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1bw3 s ARG 68 CO 0.03 -0.35 -0.09 0.08 -0.81 0.00 0.00 175.30 174.17 1bw3 s VAL 69 N 2.29 3.47 0.08 7.11 1.01 0.11 -0.61 120.40 133.87 1bw3 s VAL 69 Ca 0.21 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1bw3 s VAL 69 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1bw3 s VAL 69 CO 0.09 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.60 1bw3 s THR 70 N 0.09 1.91 -0.64 3.92 2.01 0.35 -0.14 115.64 123.15 1bw3 s THR 70 Ca -0.03 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1bw3 s THR 70 Cb -0.14 -1.68 0.16 0.00 0.01 0.00 0.00 72.50 70.85 1bw3 s THR 70 CO 0.04 0.15 0.43 0.21 -0.69 0.00 0.00 174.62 174.76 1bw3 s ASN 71 N -1.56 4.98 0.35 3.53 2.47 0.57 -2.10 114.94 123.18 1bw3 s ASN 71 Ca 0.10 -3.14 0.13 0.00 0.42 0.00 0.00 52.86 50.36 1bw3 s ASN 71 Cb -0.10 -1.77 0.97 0.00 -1.45 0.00 0.00 41.25 38.91 1bw3 s ASN 71 CO 0.03 -0.27 1.75 -0.65 -3.72 0.00 0.00 177.10 174.25 1bw3 h PRO 72 N 6.52 0.50 -0.79 0.43 0.11 -1.86 0.29 132.00 137.20 1bw3 h PRO 72 Ca 0.01 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.19 1bw3 h PRO 72 Cb 0.89 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.81 1bw3 h PRO 72 CO 0.72 0.33 0.43 0.00 -0.21 0.00 0.00 178.00 179.27 1bw3 h ALA 73 N 1.67 1.12 0.00 -0.75 0.00 -1.94 -3.27 119.26 116.09 1bw3 h ALA 73 Ca 0.62 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 55.28 1bw3 h ALA 73 Cb 1.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1bw3 h ALA 73 CO -0.39 0.02 -2.10 0.25 0.00 0.00 0.00 179.25 177.04 1bw3 n THR 74 N -4.80 1.10 0.00 0.00 -2.24 -0.07 -5.00 114.28 103.27 1bw3 n THR 74 Ca 0.13 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1bw3 n THR 74 Cb 0.30 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 2.25 0.64 3.87 3.38 0.00 0.82 -5.09 105.19 111.07 1bw3 n GLY 75 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -2.00 2.83 -0.01 4.61 0.00 -1.24 -4.80 121.76 121.15 1bw3 s ALA 76 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1bw3 s ALA 76 Cb 0.00 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.14 1bw3 s ALA 76 CO 0.00 -1.16 0.66 1.14 0.00 0.00 0.00 175.76 176.40 1bw3 s GLN 77 N -5.29 1.10 0.27 0.00 1.03 -1.26 -0.32 119.66 115.19 1bw3 s GLN 77 Ca 0.58 0.11 0.02 0.00 0.04 0.00 0.00 55.36 56.10 1bw3 s GLN 77 Cb -0.12 0.52 -0.03 0.00 0.03 0.00 0.00 33.01 33.41 1bw3 s GLN 77 CO 0.53 -0.37 0.24 -1.50 -2.54 0.00 0.00 175.29 171.64 1bw3 s ILE 78 N -1.71 0.00 -0.25 3.63 1.10 0.80 -4.97 121.20 119.80 1bw3 s ILE 78 Ca -0.09 -1.93 -0.01 0.00 -0.51 0.00 0.00 60.65 58.12 1bw3 s ILE 78 Cb -0.00 -2.50 0.03 0.00 0.15 0.00 0.00 42.46 40.15 1bw3 s ILE 78 CO 0.05 0.00 -0.07 -0.89 -2.11 0.00 0.00 174.94 171.93 1bw3 s THR 79 N -3.76 2.75 0.00 4.00 2.01 -1.26 -0.71 115.64 118.67 1bw3 s THR 79 Ca 0.38 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 1bw3 s THR 79 Cb 0.04 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1bw3 s THR 79 CO 0.19 0.13 0.21 0.00 -0.69 0.00 0.00 174.62 174.47 1bw3 s ALA 80 N 1.28 3.92 -0.07 7.40 0.00 0.81 -3.67 121.76 131.44 1bw3 s ALA 80 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1bw3 s ALA 80 Cb -0.17 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1bw3 s ALA 80 CO -0.04 0.72 0.29 0.50 0.00 0.00 0.00 175.76 177.22 1bw3 s ARG 81 N -1.92 3.77 0.13 0.00 3.00 -1.23 0.36 118.95 123.06 1bw3 s ARG 81 Ca 0.28 0.16 -0.26 0.00 -1.00 0.00 0.00 55.73 54.91 1bw3 s ARG 81 Cb -0.13 -3.24 -0.07 0.00 0.00 0.00 0.00 34.95 31.52 1bw3 s ARG 81 CO 0.18 0.67 0.80 0.42 0.00 0.00 0.00 175.30 177.37 1bw3 s ILE 82 N -0.86 4.47 0.00 4.11 1.01 -0.58 -2.21 121.20 127.14 1bw3 s ILE 82 Ca 0.19 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1bw3 s ILE 82 Cb -0.14 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1bw3 s ILE 82 CO 0.08 0.46 0.00 0.55 0.00 0.00 0.00 174.94 176.03 1bw3 n VAL 83 N 2.04 0.00 -3.53 2.92 3.14 -1.00 -4.35 118.33 117.55 1bw3 n VAL 83 Ca -0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 1bw3 n VAL 83 Cb 0.49 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw3 n ASP 84 N -2.30 1.50 -4.37 6.55 2.03 -1.20 -3.99 116.55 114.76 1bw3 n ASP 84 Ca 0.00 -1.69 -0.31 0.00 0.52 0.00 0.00 54.79 53.31 1bw3 n ASP 84 Cb 0.00 -0.04 -0.15 0.00 -0.72 0.00 0.00 41.12 40.21 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw3 s GLN 85 N -2.87 2.09 0.42 -0.67 0.74 -1.26 0.00 119.66 118.11 1bw3 s GLN 85 Ca 0.14 -0.95 0.04 0.00 0.05 0.00 0.00 55.36 54.64 1bw3 s GLN 85 Cb -0.01 -2.11 0.04 0.00 1.10 0.00 0.00 33.01 32.03 1bw3 s GLN 85 CO 0.09 0.56 0.32 0.00 -0.55 0.00 0.00 175.29 175.71 1bw3 n ALA 87 N -2.13 3.00 -0.09 0.00 0.00 -1.26 -4.82 120.51 115.21 1bw3 n ALA 87 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1bw3 n ALA 87 Cb 0.48 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -3.13 2.14 0.00 0.00 6.94 -1.26 -5.08 115.26 114.88 1bw3 n ASN 88 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1bw3 n ASN 88 Cb 0.10 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 89 N 2.37 2.37 0.92 4.83 0.00 -1.26 -4.80 105.19 109.61 1bw3 n GLY 89 Ca -0.32 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1bw3 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw3 n GLY 90 N 5.00 -0.22 0.00 -0.02 0.00 -1.26 -4.81 105.19 103.88 1bw3 n GLY 90 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw3 n LEU 91 N -1.93 0.00 0.00 0.99 7.99 -1.26 -0.35 117.00 122.44 1bw3 n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1bw3 n LEU 91 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1bw3 n LEU 91 CO 0.00 -0.42 0.00 -0.90 -1.51 0.00 0.00 177.39 174.56 1bw3 n ASP 92 N -1.63 0.00 0.04 -1.43 5.75 -0.53 -4.49 116.55 114.26 1bw3 n ASP 92 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 1bw3 n ASP 92 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1bw3 n ASP 92 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1bw3 h LEU 93 N 0.00 -0.81 0.00 -2.12 3.38 0.15 -3.38 115.31 112.54 1bw3 h LEU 93 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bw3 h LEU 93 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bw3 h LEU 93 CO 0.00 -0.33 0.00 -0.67 0.09 0.00 0.00 178.44 177.53 1bw3 n ASP 94 N -5.38 0.00 0.03 -0.43 2.03 -1.26 -4.72 116.55 106.81 1bw3 n ASP 94 Ca -0.04 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1bw3 n ASP 94 Cb 0.30 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1bw3 n TRP 95 N -1.27 -1.75 -0.34 -0.67 -0.00 -1.26 -3.21 117.44 108.94 1bw3 n TRP 95 Ca 0.00 0.21 0.05 0.00 -0.00 0.00 0.00 57.50 57.76 1bw3 n TRP 95 Cb 0.00 0.75 0.12 0.00 -0.00 0.00 0.00 31.31 32.18 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw3 n ASP 96 N -2.34 -0.38 0.00 5.87 5.75 -1.26 -2.66 116.55 121.54 1bw3 n ASP 96 Ca 0.00 1.61 0.00 0.00 -0.01 0.00 0.00 54.79 56.39 1bw3 n ASP 96 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw3 n THR 97 N -5.50 0.00 0.00 2.12 -2.24 -1.26 -4.36 114.28 103.04 1bw3 n THR 97 Ca 0.14 1.10 0.00 0.00 -2.27 0.00 0.00 64.05 63.03 1bw3 n THR 97 Cb 0.45 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1bw3 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw3 n VAL 98 N -1.32 0.00 0.00 2.28 0.31 -1.11 -4.63 118.33 113.85 1bw3 n VAL 98 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1bw3 n VAL 98 Cb 0.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -1.61 0.00 -0.30 3.52 7.35 -1.09 -0.56 117.46 124.77 1bw3 n PHE 99 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 1bw3 n PHE 99 Cb 0.00 -0.01 0.28 0.00 0.35 0.00 0.00 39.48 40.10 1bw3 n PHE 99 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1bw3 h THR 100 N 0.00 0.53 -0.96 -2.13 1.35 -1.78 -1.05 112.91 108.86 1bw3 h THR 100 Ca 0.00 -0.15 0.15 0.00 -0.55 0.00 0.00 66.41 65.86 1bw3 h THR 100 Cb 0.00 0.06 -0.08 0.00 -1.73 0.00 0.00 68.15 66.39 1bw3 h THR 100 CO 0.00 0.08 0.61 0.11 -0.25 0.00 0.00 175.52 176.07 1bw3 h LYS 101 N 0.44 0.80 -0.10 4.72 1.57 -1.03 0.57 116.57 123.54 1bw3 h LYS 101 Ca 0.53 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1bw3 h LYS 101 Cb 0.94 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1bw3 h LYS 101 CO -0.49 0.53 0.00 0.44 -0.57 0.00 0.00 179.45 179.36 1bw3 n ILE 102 N -4.62 0.12 -3.87 1.86 -5.35 -0.42 -4.77 119.36 102.31 1bw3 n ILE 102 Ca 0.19 -0.30 -0.36 0.00 -0.27 0.00 0.00 62.75 62.02 1bw3 n ILE 102 Cb 0.45 0.39 -0.13 0.00 -1.74 0.00 0.00 39.64 38.61 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1bw3 s ASP 103 N -1.75 4.71 0.01 7.28 -1.08 0.19 -4.64 116.67 121.39 1bw3 s ASP 103 Ca 0.35 -0.81 -0.25 0.00 -0.52 0.00 0.00 52.55 51.32 1bw3 s ASP 103 Cb 0.19 -1.76 -0.18 0.00 -1.46 0.00 0.00 42.92 39.70 1bw3 s ASP 103 CO 0.29 -0.16 1.38 0.71 0.52 0.00 0.00 175.17 177.92 1bw3 h THR 104 N 6.02 1.30 0.00 1.71 1.35 -1.86 -3.42 112.91 118.01 1bw3 h THR 104 Ca -0.32 -0.90 -0.11 0.00 -0.55 0.00 0.00 66.41 64.53 1bw3 h THR 104 Cb 1.11 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 1bw3 h THR 104 CO 0.59 0.24 -1.40 -0.46 -0.25 0.00 0.00 175.52 174.23 1bw3 n ASN 105 N -4.88 1.68 0.00 5.36 0.23 -1.26 -5.09 115.26 111.30 1bw3 n ASN 105 Ca -0.08 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1bw3 n ASN 105 Cb 0.21 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 106 N 2.79 0.68 0.27 4.83 0.00 -1.26 -5.02 105.19 107.48 1bw3 n GLY 106 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1bw3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw3 h ILE 107 N 0.00 1.04 -0.04 -0.61 1.08 -1.98 -2.82 117.51 114.18 1bw3 h ILE 107 Ca 0.00 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1bw3 h ILE 107 Cb 0.00 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1bw3 h ILE 107 CO 0.00 0.14 -0.07 1.23 -0.69 0.00 0.00 178.15 178.76 1bw3 h GLY 108 N 0.79 0.13 -0.85 5.37 0.00 -1.97 -3.32 103.07 103.22 1bw3 h GLY 108 Ca 0.29 -0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.67 1bw3 h GLY 108 CO -0.14 0.14 -0.12 2.98 0.00 0.00 0.00 176.54 179.39 1bw3 n TYR 109 N -4.71 0.40 0.51 5.60 9.36 -1.07 -0.10 117.16 127.15 1bw3 n TYR 109 Ca -0.08 1.03 0.13 0.00 3.32 0.00 0.00 57.90 62.30 1bw3 n TYR 109 Cb 0.33 -1.05 0.40 0.00 -0.63 0.00 0.00 39.34 38.38 1bw3 n TYR 109 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1bw3 h GLN 110 N 0.00 0.00 0.12 2.98 4.15 -1.64 -3.23 115.11 117.48 1bw3 h GLN 110 Ca 0.45 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.54 1bw3 h GLN 110 Cb 0.80 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1bw3 h GLN 110 CO -0.85 0.00 -1.79 0.37 -1.93 0.00 0.00 178.83 174.64 1bw3 h GLN 111 N 0.00 0.25 0.00 1.69 5.75 -0.60 -3.48 115.11 118.71 1bw3 h GLN 111 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1bw3 h GLN 111 Cb 0.71 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1bw3 h GLN 111 CO 0.00 1.20 0.00 0.41 -2.65 0.00 0.00 178.83 177.79 1bw3 n GLY 112 N 1.87 0.76 3.22 2.39 0.00 0.23 -5.07 105.19 108.58 1bw3 n GLY 112 Ca -0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -2.00 -0.27 0.37 1.61 -3.43 -1.23 -4.00 115.29 106.34 1bw3 s HIS 113 Ca 0.00 0.59 0.08 0.00 -0.80 0.00 0.00 55.06 54.93 1bw3 s HIS 113 Cb 0.00 0.10 -0.07 0.00 -1.43 0.00 0.00 32.58 31.18 1bw3 s HIS 113 CO 0.00 -0.26 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.27 1bw3 s LEU 114 N -0.48 2.78 -0.60 5.38 2.96 -0.72 -4.57 118.68 123.44 1bw3 s LEU 114 Ca -0.06 -1.28 0.04 0.00 -0.22 0.00 0.00 54.13 52.61 1bw3 s LEU 114 Cb -0.04 -0.93 0.15 0.00 0.50 0.00 0.00 46.19 45.88 1bw3 s LEU 114 CO 0.02 -0.33 0.38 0.21 -1.32 0.00 0.00 176.35 175.31 1bw3 s ASN 115 N -3.65 4.35 0.56 3.68 2.47 -1.26 -1.88 114.94 119.22 1bw3 s ASN 115 Ca 0.34 -3.40 0.07 0.00 0.42 0.00 0.00 52.86 50.29 1bw3 s ASN 115 Cb 0.06 -1.52 0.07 0.00 -1.45 0.00 0.00 41.25 38.42 1bw3 s ASN 115 CO 0.17 -0.16 0.77 0.68 -3.72 0.00 0.00 177.10 174.84 1bw3 s VAL 116 N -0.79 2.35 0.09 -5.21 -7.23 -1.10 -4.76 120.40 103.75 1bw3 s VAL 116 Ca 0.22 -0.93 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1bw3 s VAL 116 Cb -0.14 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1bw3 s VAL 116 CO -0.09 0.00 -0.12 0.20 -0.31 0.00 0.00 175.10 174.78 1bw3 s ASN 117 N -4.60 1.63 0.06 4.85 0.01 -0.89 -1.82 114.94 114.18 1bw3 s ASN 117 Ca 0.61 -0.74 -0.24 0.00 -0.71 0.00 0.00 52.86 51.77 1bw3 s ASN 117 Cb -0.07 -0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.63 1bw3 s ASN 117 CO 0.38 -0.18 0.58 -0.72 -1.51 0.00 0.00 177.10 175.66 1bw3 s TYR 118 N -1.99 -0.51 -0.01 2.20 -0.85 -0.12 -0.50 117.35 115.58 1bw3 s TYR 118 Ca 0.04 0.57 0.03 0.00 -0.52 0.00 0.00 57.07 57.19 1bw3 s TYR 118 Cb -0.06 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.70 1bw3 s TYR 118 CO 0.01 -0.70 -0.10 -0.65 -1.52 0.00 0.00 175.55 172.59 1bw3 s GLN 119 N -2.58 0.84 0.58 -3.49 -1.52 0.22 -1.89 119.66 111.83 1bw3 s GLN 119 Ca -0.05 -0.37 -0.20 0.00 -1.95 0.00 0.00 55.36 52.79 1bw3 s GLN 119 Cb -0.01 -0.81 -0.04 0.00 -0.22 0.00 0.00 33.01 31.93 1bw3 s GLN 119 CO -0.03 0.22 1.26 1.19 -0.25 0.00 0.00 175.29 177.69 1bw3 n PHE 120 N 2.82 1.91 -3.90 0.91 3.01 -1.20 -0.53 117.46 120.49 1bw3 n PHE 120 Ca -0.14 0.43 -0.10 0.00 1.01 0.00 0.00 57.45 58.66 1bw3 n PHE 120 Cb 0.56 -2.29 -0.01 0.00 -0.01 0.00 0.00 39.48 37.73 1bw3 n PHE 120 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1bw3 s VAL 121 N -1.35 0.00 0.40 -4.37 1.01 0.21 -4.66 120.40 111.63 1bw3 s VAL 121 Ca 0.75 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1bw3 s VAL 121 Cb -0.41 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1bw3 s VAL 121 CO 0.46 0.00 0.68 -1.81 0.00 0.00 0.00 175.10 174.43 1bw3 s ASP 122 N -3.06 6.34 -0.11 3.32 1.11 -1.26 -1.39 116.67 121.62 1bw3 s ASP 122 Ca 0.18 0.80 -0.09 0.00 0.18 0.00 0.00 52.55 53.62 1bw3 s ASP 122 Cb -0.04 -2.18 -0.26 0.00 1.07 0.00 0.00 42.92 41.50 1bw3 s ASP 122 CO 0.12 -0.41 0.42 0.00 1.18 0.00 0.00 175.17 176.48 1bw3 n ARG 124 N -3.61 -0.44 0.00 0.00 3.00 -1.26 -5.08 116.66 109.26 1bw3 n ARG 124 Ca -0.30 -0.04 0.05 0.00 -0.00 0.00 0.00 57.85 57.55 1bw3 n ARG 124 Cb 1.01 -1.94 0.29 0.00 0.00 0.00 0.00 32.46 31.82 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16