#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 0.68 0.25 3.49 -0.21 -1.26 -3.87 119.66 118.73 1bw3 s GLN 2 Ca 0.00 -0.87 0.10 0.00 0.02 0.00 0.00 55.36 54.61 1bw3 s GLN 2 Cb 0.00 -0.54 -0.05 0.00 1.00 0.00 0.00 33.01 33.42 1bw3 s GLN 2 CO 0.00 0.11 -0.17 0.00 -2.12 0.00 0.00 175.29 173.11 1bw3 s ALA 3 N -1.41 2.39 0.20 6.09 0.00 -0.87 -5.01 121.76 123.15 1bw3 s ALA 3 Ca -0.05 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1bw3 s ALA 3 Cb -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1bw3 s ALA 3 CO 0.01 0.17 0.14 0.54 0.00 0.00 0.00 175.76 176.62 1bw3 s ASN 4 N -3.42 0.15 -0.48 0.00 2.20 -1.26 -2.53 114.94 109.60 1bw3 s ASN 4 Ca 0.26 -1.36 -0.06 0.00 -0.94 0.00 0.00 52.86 50.76 1bw3 s ASN 4 Cb -0.03 0.38 0.01 0.00 -2.00 0.00 0.00 41.25 39.62 1bw3 s ASN 4 CO 0.11 -0.85 0.31 0.47 -2.94 0.00 0.00 177.10 174.20 1bw3 n ASP 5 N -0.27 -2.23 -4.67 3.54 8.00 -0.95 -4.88 116.55 115.09 1bw3 n ASP 5 Ca 0.01 -0.55 -0.23 0.00 0.71 0.00 0.00 54.79 54.74 1bw3 n ASP 5 Cb 0.66 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -3.12 3.14 -0.26 2.53 1.01 0.62 -4.87 120.40 119.44 1bw3 s VAL 6 Ca 0.09 -1.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 1bw3 s VAL 6 Cb -0.05 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1bw3 s VAL 6 CO 0.46 -0.27 0.68 0.00 0.00 0.00 0.00 175.10 175.96 1bw3 s ARG 7 N -3.74 4.11 0.04 2.72 1.70 -1.26 -2.06 118.95 120.45 1bw3 s ARG 7 Ca 0.34 0.62 0.08 0.00 -0.47 0.00 0.00 55.73 56.31 1bw3 s ARG 7 Cb -0.04 -3.66 -0.03 0.00 -0.57 0.00 0.00 34.95 30.66 1bw3 s ARG 7 CO 0.21 -0.46 -0.24 0.00 -1.08 0.00 0.00 175.30 173.73 1bw3 s ALA 8 N 2.60 2.06 0.00 7.88 0.00 -0.56 -4.92 121.76 128.82 1bw3 s ALA 8 Ca 0.28 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1bw3 s ALA 8 Cb -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1bw3 s ALA 8 CO 0.09 0.48 0.00 -2.37 0.00 0.00 0.00 175.76 173.96 1bw3 n THR 9 N 1.87 0.00 -3.57 0.00 5.66 -1.26 -0.44 114.28 116.54 1bw3 n THR 9 Ca -0.17 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.67 1bw3 n THR 9 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1bw3 n THR 9 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1bw3 s TYR 10 N 0.29 -0.71 0.06 1.09 -0.85 -1.26 -4.85 117.35 111.13 1bw3 s TYR 10 Ca 0.00 1.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.98 1bw3 s TYR 10 Cb 0.00 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 1bw3 s TYR 10 CO 0.00 -0.51 0.06 -1.58 -1.52 0.00 0.00 175.55 172.00 1bw3 s HIS 11 N -0.52 0.36 -0.09 -3.49 2.46 -1.26 -5.03 115.29 107.72 1bw3 s HIS 11 Ca -0.06 -0.83 -0.10 0.00 0.47 0.00 0.00 55.06 54.53 1bw3 s HIS 11 Cb -0.02 -0.25 0.03 0.00 -0.13 0.00 0.00 32.58 32.21 1bw3 s HIS 11 CO 0.06 -0.43 0.28 1.52 -2.47 0.00 0.00 174.74 173.70 1bw3 s TYR 12 N -3.67 -0.27 -0.35 3.88 1.13 -1.24 -4.33 117.35 112.49 1bw3 s TYR 12 Ca 0.04 0.64 0.14 0.00 -1.41 0.00 0.00 57.07 56.48 1bw3 s TYR 12 Cb 0.05 0.09 0.43 0.00 -1.10 0.00 0.00 41.96 41.44 1bw3 s TYR 12 CO -0.09 -0.19 1.17 2.48 -2.51 0.00 0.00 175.55 176.41 1bw3 n TYR 13 N 2.63 -0.62 -0.24 -3.49 4.11 -1.26 -5.02 117.16 113.27 1bw3 n TYR 13 Ca -0.15 -2.31 0.00 0.00 -0.00 0.00 0.00 57.90 55.45 1bw3 n TYR 13 Cb 0.58 0.61 0.00 0.00 -0.00 0.00 0.00 39.34 40.53 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1bw3 n ARG 14 N -0.41 0.00 0.00 -3.48 3.00 -1.26 -4.92 116.66 109.59 1bw3 n ARG 14 Ca 0.02 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 1bw3 n ARG 14 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1bw3 n ARG 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1bw3 n PRO 15 N -0.10 2.67 0.29 5.56 -0.02 -1.26 -2.72 135.00 139.42 1bw3 n PRO 15 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1bw3 n PRO 15 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 n ALA 16 N -3.00 0.00 -0.35 3.55 0.00 -1.26 -1.86 120.51 117.59 1bw3 n ALA 16 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1bw3 n ALA 16 Cb 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1bw3 n ALA 16 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bw3 h GLN 17 N 0.00 -0.01 0.00 0.00 1.08 -1.98 0.61 115.11 114.80 1bw3 h GLN 17 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1bw3 h GLN 17 Cb 1.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 1bw3 h GLN 17 CO -0.00 -0.01 -0.87 -1.71 -0.95 0.00 0.00 178.83 175.29 1bw3 n ASN 18 N -5.54 0.63 0.00 1.46 4.05 -0.78 -4.94 115.26 110.15 1bw3 n ASN 18 Ca 0.12 -0.20 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1bw3 n ASN 18 Cb 0.44 0.61 0.00 0.00 1.23 0.00 0.00 39.78 42.05 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 -1.89 0.00 -0.44 1.20 2.85 0.21 -4.94 115.26 112.26 1bw3 n ASN 19 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1bw3 n ASN 19 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw3 n TRP 20 N -0.43 0.00 0.15 1.20 7.02 -1.10 -4.81 117.44 119.47 1bw3 n TRP 20 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1bw3 n TRP 20 Cb 0.00 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 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 0.00 0.00 -0.26 -0.99 -0.08 -1.10 -2.87 116.55 111.25 1bw3 n ASP 21 Ca 0.00 0.23 0.32 0.00 -1.51 0.00 0.00 54.79 53.83 1bw3 n ASP 21 Cb 0.00 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.06 1bw3 n ASP 21 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1bw3 h LEU 22 N 0.00 0.00 -1.27 -2.67 3.38 -1.90 0.51 115.31 113.36 1bw3 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bw3 h LEU 22 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1bw3 h LEU 22 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 1bw3 n GLY 23 N -1.72 0.31 3.45 0.83 0.00 -1.14 -4.59 105.19 102.33 1bw3 n GLY 23 Ca 0.25 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -2.01 3.22 0.21 4.61 0.00 0.18 -4.95 121.76 123.01 1bw3 s ALA 24 Ca 0.34 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1bw3 s ALA 24 Cb 0.21 -3.69 0.38 0.00 0.00 0.00 0.00 23.12 20.01 1bw3 s ALA 24 CO 0.33 -2.50 1.15 -2.30 0.00 0.00 0.00 175.76 172.44 1bw3 n PRO 25 N 7.16 -0.07 -0.57 0.00 -0.01 -1.26 -1.03 135.00 139.22 1bw3 n PRO 25 Ca -0.04 1.14 0.43 0.00 -0.01 0.00 0.00 63.50 65.02 1bw3 n PRO 25 Cb 0.45 -1.73 0.66 0.00 -0.01 0.00 0.00 33.50 32.88 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 26 N -3.65 1.53 -0.02 3.55 0.00 -1.26 -3.06 120.51 117.60 1bw3 n ALA 26 Ca 0.13 0.55 -0.04 0.00 0.00 0.00 0.00 53.44 54.07 1bw3 n ALA 26 Cb 0.41 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.61 1.25 -2.91 0.00 0.31 -0.20 -5.06 118.33 108.11 1bw3 n VAL 27 Ca 0.36 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.80 1bw3 n VAL 27 Cb 1.63 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 32.63 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 -3.88 -2.61 -4.66 4.52 3.41 -1.17 -4.96 113.62 104.27 1bw3 n SER 28 Ca -0.07 -0.38 -0.29 0.00 -0.26 0.00 0.00 58.87 57.87 1bw3 n SER 28 Cb 0.25 -0.83 0.18 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.96 0.89 0.04 7.33 0.00 -1.26 -4.59 121.76 122.21 1bw3 s ALA 29 Ca 0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 1bw3 s ALA 29 Cb -0.01 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1bw3 s ALA 29 CO 0.47 -2.88 0.54 0.66 0.00 0.00 0.00 175.76 174.54 1bw3 n TYR 30 N -4.22 -0.10 -0.03 0.00 4.01 -1.26 -2.06 117.16 113.50 1bw3 n TYR 30 Ca 0.05 0.29 -0.13 0.00 -0.16 0.00 0.00 57.90 57.95 1bw3 n TYR 30 Cb 0.57 -0.39 -0.11 0.00 -0.31 0.00 0.00 39.34 39.10 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 n ALA 32 N -2.52 -0.21 -0.63 0.00 0.00 -0.87 -0.31 120.51 115.97 1bw3 n ALA 32 Ca -0.09 0.28 0.47 0.00 0.00 0.00 0.00 53.44 54.10 1bw3 n ALA 32 Cb 0.36 0.02 0.72 0.00 0.00 0.00 0.00 19.45 20.55 1bw3 n ALA 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bw3 n THR 33 N -3.97 0.00 0.00 0.00 -1.04 -1.18 -0.12 114.28 107.97 1bw3 n THR 33 Ca 0.01 1.31 0.00 0.00 -2.04 0.00 0.00 64.05 63.33 1bw3 n THR 33 Cb 0.08 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.41 1bw3 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw3 n TRP 34 N -3.69 0.00 0.17 -1.42 8.01 0.57 -4.78 117.44 116.31 1bw3 n TRP 34 Ca 0.39 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.64 1bw3 n TRP 34 Cb 1.78 0.00 0.10 0.00 -2.01 0.00 0.00 31.31 31.19 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw3 h ASP 35 N 0.00 0.00 0.00 -0.99 5.19 -0.81 -3.26 116.42 116.55 1bw3 h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bw3 h ASP 35 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1bw3 h ASP 35 CO 0.00 0.32 0.32 0.00 -3.12 0.00 0.00 179.24 176.76 1bw3 h ALA 36 N 1.68 1.23 0.18 3.45 0.00 -0.69 0.19 119.26 125.31 1bw3 h ALA 36 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bw3 h ALA 36 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bw3 h ALA 36 CO 0.04 -0.23 -0.09 0.66 0.00 0.00 0.00 179.25 179.64 1bw3 h SER 37 N 0.00 -0.21 -0.03 0.00 4.64 -1.79 -3.45 113.55 112.71 1bw3 h SER 37 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1bw3 h SER 37 Cb 0.64 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1bw3 h SER 37 CO 0.00 0.23 -0.00 0.29 -0.87 0.00 0.00 176.83 176.48 1bw3 n LYS 38 N -4.77 0.00 -0.77 4.77 4.76 0.68 -4.84 118.16 117.99 1bw3 n LYS 38 Ca -0.03 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 1bw3 n LYS 38 Cb 0.10 -0.05 0.13 0.00 -1.84 0.00 0.00 35.03 33.37 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bw3 n PRO 39 N 0.05 -0.61 -0.18 1.97 -0.04 -1.26 -4.71 135.00 130.21 1bw3 n PRO 39 Ca 0.01 -0.15 -0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1bw3 n PRO 39 Cb 0.00 -1.78 0.09 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.67 0.02 0.00 1.53 3.38 -1.98 -3.16 115.31 113.44 1bw3 h LEU 40 Ca -0.46 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1bw3 h LEU 40 Cb 1.30 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1bw3 h LEU 40 CO 0.35 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.70 1bw3 n SER 41 N -5.11 0.00 0.19 -0.43 7.64 -1.26 -0.85 113.62 113.80 1bw3 n SER 41 Ca 0.08 0.39 -0.12 0.00 1.01 0.00 0.00 58.87 60.22 1bw3 n SER 41 Cb 0.29 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.50 -0.79 1.43 7.01 -1.93 -0.53 115.95 120.65 1bw3 h TRP 42 Ca 0.00 -0.01 0.32 0.00 2.11 0.00 0.00 58.89 61.31 1bw3 h TRP 42 Cb 0.00 0.16 -0.14 0.00 -2.10 0.00 0.00 29.16 27.08 1bw3 h TRP 42 CO -0.36 -0.17 0.38 -2.13 -2.79 0.00 0.00 178.44 173.37 1bw3 n ARG 43 N -5.16 -0.05 -0.08 2.65 0.63 -0.82 -0.87 116.66 112.96 1bw3 n ARG 43 Ca -0.09 1.10 -0.10 0.00 -0.92 0.00 0.00 57.85 57.84 1bw3 n ARG 43 Cb 0.28 -1.95 -0.05 0.00 0.45 0.00 0.00 32.46 31.20 1bw3 n ARG 43 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1bw3 h SER 44 N 0.00 0.00 -0.56 6.15 4.64 -1.05 -3.31 113.55 119.42 1bw3 h SER 44 Ca 0.65 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.83 1bw3 h SER 44 Cb 1.69 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.70 1bw3 h SER 44 CO -0.62 0.95 -0.28 1.17 -0.87 0.00 0.00 176.83 177.18 1bw3 n LYS 45 N -4.58 -0.20 -3.19 4.77 4.81 -0.05 -4.13 118.16 115.60 1bw3 n LYS 45 Ca -0.14 0.85 -0.14 0.00 -0.87 0.00 0.00 58.31 58.02 1bw3 n LYS 45 Cb 0.36 -1.26 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 1bw3 n LYS 45 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bw3 s TYR 46 N -5.39 -0.48 0.00 5.64 2.02 -0.81 -5.01 117.35 113.32 1bw3 s TYR 46 Ca -0.07 -1.01 0.19 0.00 -0.37 0.00 0.00 57.07 55.81 1bw3 s TYR 46 Cb 0.08 -0.25 0.32 0.00 -0.40 0.00 0.00 41.96 41.71 1bw3 s TYR 46 CO 0.37 -1.04 1.12 0.41 -1.57 0.00 0.00 175.55 174.84 1bw3 n GLY 47 N 3.55 0.88 2.27 0.71 0.00 -1.24 -4.78 105.19 106.57 1bw3 n GLY 47 Ca 0.18 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1bw3 n GLY 47 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bw3 n TRP 48 N 0.37 0.71 -3.52 1.61 7.02 -1.26 -4.86 117.44 117.51 1bw3 n TRP 48 Ca 0.04 -3.74 -0.11 0.00 -1.02 0.00 0.00 57.50 52.67 1bw3 n TRP 48 Cb 1.03 -0.41 -0.02 0.00 -2.42 0.00 0.00 31.31 29.49 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1bw3 s THR 49 N -1.76 0.00 0.47 -0.99 -4.23 -0.98 -2.88 115.64 105.27 1bw3 s THR 49 Ca 0.37 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1bw3 s THR 49 Cb 0.20 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 1bw3 s THR 49 CO -0.09 -0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.02 1bw3 s ALA 50 N -3.79 3.70 -0.35 3.99 0.00 -1.25 0.38 121.76 124.45 1bw3 s ALA 50 Ca 0.03 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 1bw3 s ALA 50 Cb -0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1bw3 s ALA 50 CO -0.08 -0.11 0.14 0.12 0.00 0.00 0.00 175.76 175.83 1bw3 s PHE 51 N -2.94 3.23 -0.15 0.00 5.36 -0.07 -4.70 117.98 118.71 1bw3 s PHE 51 Ca 0.14 -1.14 -0.07 0.00 -0.96 0.00 0.00 56.93 54.89 1bw3 s PHE 51 Cb 0.03 -2.34 -0.07 0.00 -0.34 0.00 0.00 43.02 40.30 1bw3 s PHE 51 CO 0.08 -0.66 -0.19 0.00 -1.46 0.00 0.00 175.22 172.98 1bw3 n GLY 53 N 2.07 0.20 0.35 0.00 0.00 -1.26 -4.83 105.19 101.73 1bw3 n GLY 53 Ca -0.30 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 43.84 1bw3 n GLY 53 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bw3 h PRO 54 N 0.00 0.75 -6.72 1.61 0.11 -2.01 -3.49 132.00 122.26 1bw3 h PRO 54 Ca 0.00 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.60 1bw3 h PRO 54 Cb 0.00 -0.17 0.03 0.00 0.11 0.00 0.00 31.00 30.97 1bw3 h PRO 54 CO 0.00 0.50 -0.08 0.00 -0.21 0.00 0.00 178.00 178.21 1bw3 s ALA 55 N -5.69 3.73 0.00 -0.75 0.00 -1.26 -4.93 121.76 112.86 1bw3 s ALA 55 Ca -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1bw3 s ALA 55 Cb 0.19 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1bw3 s ALA 55 CO 0.77 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1bw3 n GLY 56 N -2.10 0.55 3.55 0.00 0.00 -1.26 -4.90 105.19 101.03 1bw3 n GLY 56 Ca 0.01 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.61 2.32 -0.50 1.61 0.04 -1.26 -4.75 135.00 131.86 1bw3 s PRO 57 Ca 0.00 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.23 1bw3 s PRO 57 Cb 0.00 -4.50 0.22 0.00 0.04 0.00 0.00 34.50 30.25 1bw3 s PRO 57 CO 0.00 -3.04 0.80 -2.13 0.04 0.00 0.00 177.00 172.66 1bw3 n ARG 58 N 9.07 0.66 -0.24 4.56 3.00 -1.26 -4.97 116.66 127.48 1bw3 n ARG 58 Ca 0.30 -1.95 -0.09 0.00 -0.00 0.00 0.00 57.85 56.11 1bw3 n ARG 58 Cb 0.54 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.52 1bw3 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw3 n GLY 59 N 2.20 -0.15 0.08 5.14 0.00 -1.26 -4.49 105.19 106.70 1bw3 n GLY 59 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N 0.21 0.02 0.00 1.61 6.02 -1.26 0.18 117.38 124.15 1bw3 n GLN 60 Ca 0.03 0.27 0.14 0.00 -0.01 0.00 0.00 57.00 57.43 1bw3 n GLN 60 Cb 0.03 -2.07 0.53 0.00 1.02 0.00 0.00 30.24 29.74 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N -1.19 2.71 -1.00 -1.58 0.00 -1.26 -4.15 120.51 114.03 1bw3 n ALA 61 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1bw3 n ALA 61 Cb 0.52 -1.19 -0.17 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.17 6.35 -1.47 0.00 0.00 0.13 -4.65 120.51 120.70 1bw3 n ALA 62 Ca 0.17 -1.83 -0.40 0.00 0.00 0.00 0.00 53.44 51.39 1bw3 n ALA 62 Cb 0.33 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 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 3.64 0.00 3.62 0.00 0.00 -1.26 -5.08 105.19 106.10 1bw3 n GLY 64 Ca 0.70 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.39 2.37 0.47 1.61 3.01 -0.66 -4.84 119.74 121.30 1bw3 s LYS 65 Ca 0.00 -0.89 0.07 0.00 -1.01 0.00 0.00 55.97 54.15 1bw3 s LYS 65 Cb 0.00 -2.43 0.01 0.00 -1.01 0.00 0.00 37.83 34.39 1bw3 s LYS 65 CO 0.00 0.54 0.42 0.00 0.51 0.00 0.00 175.35 176.82 1bw3 s LEU 67 N -4.22 1.28 -0.17 0.00 1.43 -0.33 -0.19 118.68 116.48 1bw3 s LEU 67 Ca 0.45 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1bw3 s LEU 67 Cb -0.03 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1bw3 s LEU 67 CO 0.27 -0.08 0.39 -0.60 0.23 0.00 0.00 176.35 176.55 1bw3 s ARG 68 N 1.46 4.24 -0.15 1.70 3.52 0.70 -0.31 118.95 130.11 1bw3 s ARG 68 Ca 0.00 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1bw3 s ARG 68 Cb -0.13 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1bw3 s ARG 68 CO -0.05 0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 174.44 1bw3 s VAL 69 N 0.90 2.51 -0.03 7.11 1.01 0.15 -0.90 120.40 131.14 1bw3 s VAL 69 Ca 0.20 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1bw3 s VAL 69 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1bw3 s VAL 69 CO 0.07 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.63 1bw3 s THR 70 N 0.78 1.45 -0.81 3.92 2.01 -0.74 -0.71 115.64 121.54 1bw3 s THR 70 Ca -0.06 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1bw3 s THR 70 Cb -0.15 -1.23 0.20 0.00 0.01 0.00 0.00 72.50 71.33 1bw3 s THR 70 CO -0.00 0.41 0.69 0.21 -0.69 0.00 0.00 174.62 175.24 1bw3 s ASN 71 N -0.15 5.92 0.26 3.53 3.04 0.54 -1.77 114.94 126.30 1bw3 s ASN 71 Ca 0.00 -3.31 -0.07 0.00 0.04 0.00 0.00 52.86 49.53 1bw3 s ASN 71 Cb -0.10 -1.95 0.47 0.00 -1.54 0.00 0.00 41.25 38.13 1bw3 s ASN 71 CO 0.01 -0.30 1.61 -0.65 -3.04 0.00 0.00 177.10 174.73 1bw3 h PRO 72 N 6.59 0.05 -0.91 0.43 0.11 -1.85 0.21 132.00 136.63 1bw3 h PRO 72 Ca 0.10 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.42 1bw3 h PRO 72 Cb 0.89 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 1bw3 h PRO 72 CO 0.80 0.03 0.61 0.00 -0.21 0.00 0.00 178.00 179.24 1bw3 h ALA 73 N 1.80 2.31 0.00 -0.75 0.00 -1.94 -3.04 119.26 117.64 1bw3 h ALA 73 Ca 0.44 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.15 1bw3 h ALA 73 Cb 0.77 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1bw3 h ALA 73 CO -0.78 -0.60 -1.79 0.25 0.00 0.00 0.00 179.25 176.32 1bw3 n THR 74 N -4.48 0.80 -0.26 0.00 -2.24 0.22 -4.98 114.28 103.33 1bw3 n THR 74 Ca 0.20 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1bw3 n THR 74 Cb 0.76 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 2.35 0.69 3.81 3.38 0.00 0.50 -5.05 105.19 110.87 1bw3 n GLY 75 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.40 3.17 0.00 4.61 0.00 -1.24 -4.81 121.76 121.09 1bw3 s ALA 76 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1bw3 s ALA 76 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1bw3 s ALA 76 CO 0.00 0.19 0.32 1.14 0.00 0.00 0.00 175.76 177.41 1bw3 s GLN 77 N -2.62 0.72 0.23 0.00 -2.07 -1.26 -0.34 119.66 114.31 1bw3 s GLN 77 Ca 0.55 -0.26 -0.03 0.00 -1.82 0.00 0.00 55.36 53.80 1bw3 s GLN 77 Cb -0.13 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 1bw3 s GLN 77 CO 0.18 -0.21 0.24 -1.50 -1.32 0.00 0.00 175.29 172.68 1bw3 s ILE 78 N -1.64 0.00 -0.30 3.63 1.10 0.11 -4.97 121.20 119.13 1bw3 s ILE 78 Ca -0.11 -1.85 -0.03 0.00 -0.51 0.00 0.00 60.65 58.15 1bw3 s ILE 78 Cb -0.04 -2.44 0.04 0.00 0.15 0.00 0.00 42.46 40.17 1bw3 s ILE 78 CO 0.02 0.00 0.01 -0.89 -2.11 0.00 0.00 174.94 171.98 1bw3 s THR 79 N -4.01 3.15 0.48 4.00 2.01 -1.26 -0.67 115.64 119.33 1bw3 s THR 79 Ca 0.35 -1.27 0.07 0.00 0.31 0.00 0.00 61.69 61.15 1bw3 s THR 79 Cb 0.05 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1bw3 s THR 79 CO 0.13 -0.08 0.38 0.00 -0.69 0.00 0.00 174.62 174.37 1bw3 s ALA 80 N 1.30 4.18 -0.10 7.40 0.00 0.57 -4.97 121.76 130.15 1bw3 s ALA 80 Ca -0.04 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1bw3 s ALA 80 Cb -0.19 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1bw3 s ALA 80 CO -0.01 -0.34 -0.23 -0.98 0.00 0.00 0.00 175.76 174.20 1bw3 s ARG 81 N -4.19 2.93 0.15 0.00 3.03 -1.26 -1.19 118.95 118.42 1bw3 s ARG 81 Ca 0.42 -0.85 -0.31 0.00 2.03 0.00 0.00 55.73 57.02 1bw3 s ARG 81 Cb -0.02 -2.23 -0.08 0.00 -1.03 0.00 0.00 34.95 31.59 1bw3 s ARG 81 CO 0.25 0.18 1.34 0.42 -1.13 0.00 0.00 175.30 176.36 1bw3 s ILE 82 N 0.33 3.29 0.21 4.99 1.01 -0.71 -2.32 121.20 128.01 1bw3 s ILE 82 Ca -0.18 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1bw3 s ILE 82 Cb -0.18 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1bw3 s ILE 82 CO 0.08 0.11 0.00 0.52 0.00 0.00 0.00 174.94 175.65 1bw3 n VAL 83 N 3.31 0.30 -0.98 2.92 0.31 0.16 -4.26 118.33 120.10 1bw3 n VAL 83 Ca 0.09 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1bw3 n VAL 83 Cb 0.43 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bw3 n ASP 84 N -3.37 0.00 -4.41 4.52 5.75 -1.09 -4.33 116.55 113.62 1bw3 n ASP 84 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.50 1bw3 n ASP 84 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1bw3 s GLN 85 N 3.53 1.48 0.00 0.11 -0.44 -1.26 -0.90 119.66 122.18 1bw3 s GLN 85 Ca 0.00 -1.43 0.00 0.00 -2.50 0.00 0.00 55.36 51.43 1bw3 s GLN 85 Cb 0.00 -1.88 0.00 0.00 -1.64 0.00 0.00 33.01 29.49 1bw3 s GLN 85 CO 0.00 0.43 1.22 0.00 0.50 0.00 0.00 175.29 177.43 1bw3 n ALA 87 N 0.73 0.00 -2.75 0.00 0.00 -1.26 -1.21 120.51 116.02 1bw3 n ALA 87 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1bw3 n ALA 87 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.93 1.31 0.00 0.00 6.94 -1.26 -5.09 115.26 113.23 1bw3 n ASN 88 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 1bw3 n ASN 88 Cb 0.00 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 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 -0.40 2.09 0.00 4.83 0.00 -0.35 -4.95 105.19 106.41 1bw3 n GLY 89 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.15 1.67 -0.02 0.00 -1.26 -4.77 105.19 102.97 1bw3 n GLY 90 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 5.11 -3.95 0.99 4.32 -1.26 -3.86 117.00 118.35 1bw3 n LEU 91 Ca 0.00 -4.18 -0.09 0.00 -0.02 0.00 0.00 56.01 51.72 1bw3 n LEU 91 Cb 0.00 -0.62 -0.09 0.00 -1.62 0.00 0.00 43.42 41.09 1bw3 n LEU 91 CO 0.00 1.57 -0.24 1.51 -1.22 0.00 0.00 177.39 179.01 1bw3 s ASP 92 N -2.71 0.21 0.00 -1.43 1.47 -1.25 -3.88 116.67 109.08 1bw3 s ASP 92 Ca 0.51 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.66 1bw3 s ASP 92 Cb 0.43 0.22 0.00 0.00 -0.34 0.00 0.00 42.92 43.23 1bw3 s ASP 92 CO 0.01 -0.51 0.00 0.18 0.68 0.00 0.00 175.17 175.53 1bw3 n LEU 93 N 0.74 0.00 0.00 2.11 4.32 -1.14 -4.60 117.00 118.44 1bw3 n LEU 93 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1bw3 n LEU 93 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1bw3 n LEU 93 CO 0.23 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 176.87 1bw3 n ASP 94 N -1.19 0.00 -1.47 -1.43 8.00 -1.26 -4.53 116.55 114.67 1bw3 n ASP 94 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1bw3 n ASP 94 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1bw3 n TRP 95 N 0.00 0.56 -1.53 1.24 -0.00 -1.26 -3.68 117.44 112.77 1bw3 n TRP 95 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 57.50 56.39 1bw3 n TRP 95 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 31.31 30.76 1bw3 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw3 n ASP 96 N 0.73 0.00 0.00 5.87 2.03 -1.26 -4.63 116.55 119.29 1bw3 n ASP 96 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1bw3 n ASP 96 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw3 n THR 97 N -0.23 0.00 -0.03 5.18 -2.24 -1.26 -3.07 114.28 112.62 1bw3 n THR 97 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1bw3 n THR 97 Cb 0.00 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.95 0.63 0.25 2.28 0.31 -1.26 -4.31 118.33 115.28 1bw3 n VAL 98 Ca 0.00 0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 64.54 1bw3 n VAL 98 Cb 0.00 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 30.95 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw3 h PHE 99 N -0.45 -1.11 0.00 3.52 3.57 -1.88 -0.97 116.94 119.62 1bw3 h PHE 99 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1bw3 h PHE 99 Cb 0.22 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1bw3 h PHE 99 CO -0.10 -0.56 0.04 -2.37 -2.23 0.00 0.00 178.31 173.09 1bw3 n THR 100 N -5.50 0.43 -0.05 4.41 5.66 -1.19 -0.86 114.28 117.17 1bw3 n THR 100 Ca -0.11 0.15 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1bw3 n THR 100 Cb 0.40 -1.15 -0.04 0.00 -1.55 0.00 0.00 70.33 68.00 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bw3 n LYS 101 N -1.01 0.23 0.14 1.09 4.76 -0.81 -4.67 118.16 117.89 1bw3 n LYS 101 Ca 0.00 0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.67 1bw3 n LYS 101 Cb 0.04 -0.91 0.42 0.00 -1.84 0.00 0.00 35.03 32.74 1bw3 n LYS 101 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1bw3 h ILE 102 N -0.35 0.00 -1.78 -0.18 -0.00 -0.43 -3.43 117.51 111.34 1bw3 h ILE 102 Ca -0.27 -0.49 -0.56 0.00 -0.00 0.00 0.00 64.86 63.54 1bw3 h ILE 102 Cb 1.25 1.42 -0.09 0.00 -0.00 0.00 0.00 36.82 39.40 1bw3 h ILE 102 CO -0.15 0.00 1.26 -1.81 -0.00 0.00 0.00 178.15 177.44 1bw3 s ASP 103 N -4.80 6.29 0.20 2.16 1.11 -0.04 -4.74 116.67 116.85 1bw3 s ASP 103 Ca 0.08 -0.89 -0.11 0.00 0.18 0.00 0.00 52.55 51.81 1bw3 s ASP 103 Cb 0.10 -2.56 0.18 0.00 1.07 0.00 0.00 42.92 41.71 1bw3 s ASP 103 CO 0.55 -1.71 1.82 0.71 1.18 0.00 0.00 175.17 177.72 1bw3 h THR 104 N 6.40 1.02 0.00 -1.27 1.35 -1.89 -3.45 112.91 115.07 1bw3 h THR 104 Ca -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1bw3 h THR 104 Cb 1.03 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1bw3 h THR 104 CO 1.35 0.13 0.00 -0.46 -0.25 0.00 0.00 175.52 176.28 1bw3 n ASN 105 N -4.77 0.00 -1.06 5.36 2.04 -1.26 -5.10 115.26 110.47 1bw3 n ASN 105 Ca 0.07 0.00 -0.03 0.00 -0.44 0.00 0.00 54.58 54.17 1bw3 n ASN 105 Cb 0.12 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.36 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw3 n GLY 106 N 3.23 0.18 0.13 4.83 0.00 -1.26 -4.98 105.19 107.32 1bw3 n GLY 106 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N -0.18 -0.20 0.79 -0.61 2.08 -1.26 -0.22 119.36 119.76 1bw3 n ILE 107 Ca -0.14 1.49 0.06 0.00 0.56 0.00 0.00 62.75 64.71 1bw3 n ILE 107 Cb 0.54 -1.91 0.17 0.00 -0.75 0.00 0.00 39.64 37.69 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw3 n GLY 108 N -1.07 0.78 0.15 7.39 0.00 -1.26 -3.85 105.19 107.33 1bw3 n GLY 108 Ca 0.01 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1bw3 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw3 h TYR 109 N 2.19 0.76 -0.04 1.61 5.03 -0.88 0.34 116.97 125.97 1bw3 h TYR 109 Ca 0.00 -0.44 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 1bw3 h TYR 109 Cb 0.52 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 1bw3 h TYR 109 CO 0.26 1.28 -0.02 1.96 -1.32 0.00 0.00 178.16 180.32 1bw3 h GLN 110 N 0.02 0.05 0.00 1.82 1.08 -1.63 -3.10 115.11 113.35 1bw3 h GLN 110 Ca -0.12 -0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.70 1bw3 h GLN 110 Cb 1.55 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.90 1bw3 h GLN 110 CO 0.16 0.08 -2.40 1.04 -0.95 0.00 0.00 178.83 176.76 1bw3 n GLN 111 N -4.48 0.68 0.00 1.46 3.00 -1.20 -5.03 117.38 111.81 1bw3 n GLN 111 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1bw3 n GLN 111 Cb 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bw3 n GLY 112 N 1.91 1.77 3.18 1.08 0.00 0.11 -5.11 105.19 108.14 1bw3 n GLY 112 Ca -0.37 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.46 1.17 0.36 1.61 -3.43 -0.80 -4.05 115.29 109.69 1bw3 s HIS 113 Ca 0.00 -0.55 0.05 0.00 -0.80 0.00 0.00 55.06 53.76 1bw3 s HIS 113 Cb 0.00 -0.64 -0.07 0.00 -1.43 0.00 0.00 32.58 30.44 1bw3 s HIS 113 CO 0.00 0.05 0.04 -1.17 -2.00 0.00 0.00 174.74 171.66 1bw3 s LEU 114 N -2.12 2.39 -0.22 5.38 2.96 0.41 -4.38 118.68 123.10 1bw3 s LEU 114 Ca 0.02 -1.39 -0.07 0.00 -0.22 0.00 0.00 54.13 52.47 1bw3 s LEU 114 Cb -0.07 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 1bw3 s LEU 114 CO 0.02 -0.58 0.07 0.21 -1.32 0.00 0.00 176.35 174.75 1bw3 s ASN 115 N -3.57 5.33 0.33 3.68 2.47 -1.26 -1.50 114.94 120.41 1bw3 s ASN 115 Ca 0.35 -0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.56 1bw3 s ASN 115 Cb 0.09 -1.94 -0.02 0.00 -1.45 0.00 0.00 41.25 37.93 1bw3 s ASN 115 CO 0.16 0.04 0.35 0.68 -3.72 0.00 0.00 177.10 174.61 1bw3 s VAL 116 N 1.15 0.00 -0.02 -5.21 -7.23 -0.88 -4.72 120.40 103.49 1bw3 s VAL 116 Ca 0.04 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 1bw3 s VAL 116 Cb -0.14 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1bw3 s VAL 116 CO 0.03 0.00 -0.20 0.20 -0.31 0.00 0.00 175.10 174.83 1bw3 s ASN 117 N -3.30 2.34 -0.05 4.85 0.01 -0.73 -0.28 114.94 117.78 1bw3 s ASN 117 Ca 0.37 -0.36 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 1bw3 s ASN 117 Cb 0.02 -0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.37 1bw3 s ASN 117 CO 0.24 0.24 -0.10 -0.72 -1.51 0.00 0.00 177.10 175.24 1bw3 s TYR 118 N -0.40 1.21 -0.02 2.20 -0.85 -1.05 -1.79 117.35 116.65 1bw3 s TYR 118 Ca 0.06 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.27 1bw3 s TYR 118 Cb -0.08 -0.91 -0.02 0.00 0.38 0.00 0.00 41.96 41.33 1bw3 s TYR 118 CO -0.00 -0.22 -0.20 -0.65 -1.52 0.00 0.00 175.55 172.96 1bw3 s GLN 119 N 0.61 1.60 0.35 -3.49 -1.52 -0.08 -2.06 119.66 115.07 1bw3 s GLN 119 Ca -0.12 -0.71 -0.28 0.00 -1.95 0.00 0.00 55.36 52.31 1bw3 s GLN 119 Cb -0.14 -1.55 -0.10 0.00 -0.22 0.00 0.00 33.01 31.00 1bw3 s GLN 119 CO 0.02 0.43 1.27 -0.06 -0.25 0.00 0.00 175.29 176.70 1bw3 s PHE 120 N -0.46 3.05 0.06 0.91 0.40 -1.25 -0.21 117.98 120.47 1bw3 s PHE 120 Ca 0.08 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.82 1bw3 s PHE 120 Cb -0.08 -3.61 -0.02 0.00 0.51 0.00 0.00 43.02 39.82 1bw3 s PHE 120 CO -0.01 -1.73 0.06 0.54 0.70 0.00 0.00 175.22 174.78 1bw3 s VAL 121 N -1.20 0.18 -0.30 -0.44 0.11 0.73 -4.78 120.40 114.69 1bw3 s VAL 121 Ca 0.51 -1.48 -0.21 0.00 -2.93 0.00 0.00 61.98 57.87 1bw3 s VAL 121 Cb -0.38 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.12 1bw3 s VAL 121 CO 0.49 -0.82 0.67 -0.62 -3.33 0.00 0.00 175.10 171.49 1bw3 s ASP 122 N -2.75 6.54 0.00 3.54 2.15 -1.26 -1.66 116.67 123.22 1bw3 s ASP 122 Ca 0.04 0.48 0.24 0.00 0.43 0.00 0.00 52.55 53.75 1bw3 s ASP 122 Cb 0.05 -2.35 0.90 0.00 -0.30 0.00 0.00 42.92 41.23 1bw3 s ASP 122 CO -0.09 -0.51 1.65 0.00 -0.17 0.00 0.00 175.17 176.04 1bw3 n ARG 124 N 0.24 -1.32 0.00 0.00 0.63 -1.26 -5.16 116.66 109.78 1bw3 n ARG 124 Ca 0.18 0.73 0.14 0.00 -0.92 0.00 0.00 57.85 57.97 1bw3 n ARG 124 Cb 0.34 -1.74 0.52 0.00 0.45 0.00 0.00 32.46 32.03 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65