#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 1.97 -0.01 3.49 0.74 -1.26 -1.92 119.66 122.67 1bw3 s GLN 2 Ca 0.00 -0.44 0.07 0.00 0.05 0.00 0.00 55.36 55.04 1bw3 s GLN 2 Cb 0.00 -1.82 -0.02 0.00 1.10 0.00 0.00 33.01 32.27 1bw3 s GLN 2 CO 0.00 -0.19 -0.24 0.00 -0.55 0.00 0.00 175.29 174.31 1bw3 s ALA 3 N 1.39 1.98 0.45 1.58 0.00 -0.66 -5.04 121.76 121.46 1bw3 s ALA 3 Ca 0.01 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1bw3 s ALA 3 Cb -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1bw3 s ALA 3 CO -0.07 0.48 0.10 -0.80 0.00 0.00 0.00 175.76 175.47 1bw3 s ASN 4 N -0.62 3.23 -0.75 0.00 0.01 -1.26 -0.95 114.94 114.60 1bw3 s ASN 4 Ca 0.09 -1.69 -0.10 0.00 -0.71 0.00 0.00 52.86 50.45 1bw3 s ASN 4 Cb -0.09 0.55 0.01 0.00 0.41 0.00 0.00 41.25 42.13 1bw3 s ASN 4 CO -0.01 -0.93 0.20 -0.67 -1.51 0.00 0.00 177.10 174.18 1bw3 n ASP 5 N -1.34 -0.94 -4.85 -1.22 -0.08 -1.15 -4.91 116.55 102.05 1bw3 n ASP 5 Ca -0.10 -0.71 -0.32 0.00 -1.51 0.00 0.00 54.79 52.14 1bw3 n ASP 5 Cb 0.65 -0.87 -0.05 0.00 2.34 0.00 0.00 41.12 43.19 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1bw3 s VAL 6 N -3.99 5.08 -0.32 5.18 1.01 -0.41 -4.92 120.40 122.02 1bw3 s VAL 6 Ca 0.15 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 1bw3 s VAL 6 Cb -0.08 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1bw3 s VAL 6 CO 0.54 0.25 1.01 -0.60 0.00 0.00 0.00 175.10 176.31 1bw3 s ARG 7 N -2.09 4.04 -0.28 2.72 6.06 -1.26 -2.92 118.95 125.22 1bw3 s ARG 7 Ca 0.28 0.96 0.03 0.00 -2.50 0.00 0.00 55.73 54.51 1bw3 s ARG 7 Cb -0.12 -3.74 0.07 0.00 0.06 0.00 0.00 34.95 31.22 1bw3 s ARG 7 CO 0.20 -0.85 -0.07 0.00 -2.50 0.00 0.00 175.30 172.07 1bw3 s ALA 8 N 3.50 2.64 0.53 6.12 0.00 -1.17 -4.87 121.76 128.50 1bw3 s ALA 8 Ca 0.43 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1bw3 s ALA 8 Cb -0.13 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.31 1bw3 s ALA 8 CO 0.15 -1.30 0.01 -0.08 0.00 0.00 0.00 175.76 174.54 1bw3 s THR 9 N 1.07 1.04 0.37 0.00 -1.32 -1.23 -2.97 115.64 112.61 1bw3 s THR 9 Ca -0.05 -1.99 0.08 0.00 -1.21 0.00 0.00 61.69 58.52 1bw3 s THR 9 Cb -0.20 -2.03 -0.06 0.00 -1.51 0.00 0.00 72.50 68.70 1bw3 s THR 9 CO -0.05 0.00 0.07 -0.72 -2.21 0.00 0.00 174.62 171.71 1bw3 s TYR 10 N -2.90 2.57 0.09 9.09 -0.85 -1.26 -3.85 117.35 120.23 1bw3 s TYR 10 Ca 0.02 -0.52 -0.00 0.00 -0.52 0.00 0.00 57.07 56.05 1bw3 s TYR 10 Cb 0.00 -1.69 0.00 0.00 0.38 0.00 0.00 41.96 40.65 1bw3 s TYR 10 CO 0.01 0.37 0.12 -2.39 -1.52 0.00 0.00 175.55 172.14 1bw3 n HIS 11 N -1.06 -0.69 -3.72 -3.49 1.44 -1.26 -4.97 115.22 101.47 1bw3 n HIS 11 Ca -0.03 -0.57 -0.24 0.00 -2.01 0.00 0.00 57.72 54.87 1bw3 n HIS 11 Cb 0.64 0.14 -0.17 0.00 0.12 0.00 0.00 29.99 30.71 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1bw3 s TYR 12 N -4.54 0.54 0.00 -1.40 2.02 -1.26 -4.91 117.35 107.79 1bw3 s TYR 12 Ca 0.07 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1bw3 s TYR 12 Cb -0.00 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1bw3 s TYR 12 CO 0.05 -0.37 0.00 0.98 -1.57 0.00 0.00 175.55 174.64 1bw3 n TYR 13 N 5.18 0.00 -3.18 2.71 9.36 -1.26 -5.06 117.16 124.91 1bw3 n TYR 13 Ca -0.06 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 60.96 1bw3 n TYR 13 Cb 0.49 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.17 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bw3 n ARG 14 N 0.00 1.02 0.00 2.98 1.74 -1.26 -5.04 116.66 116.10 1bw3 n ARG 14 Ca 0.00 -3.41 0.00 0.00 -0.77 0.00 0.00 57.85 53.67 1bw3 n ARG 14 Cb 0.00 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bw3 n PRO 15 N 0.43 1.36 -0.06 5.56 -0.04 -1.26 -1.00 135.00 139.98 1bw3 n PRO 15 Ca 0.25 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.92 1bw3 n PRO 15 Cb 0.63 0.00 0.39 0.00 -0.04 0.00 0.00 33.50 34.48 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -2.00 2.65 -0.96 0.55 0.00 -1.89 0.24 119.26 117.85 1bw3 h ALA 16 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1bw3 h ALA 16 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1bw3 h ALA 16 CO 0.00 -1.46 0.61 0.37 0.00 0.00 0.00 179.25 178.77 1bw3 h GLN 17 N 0.00 0.59 -0.40 0.00 4.15 -1.99 0.86 115.11 118.33 1bw3 h GLN 17 Ca 0.35 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 1bw3 h GLN 17 Cb 2.51 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 30.00 1bw3 h GLN 17 CO -0.00 0.39 0.05 -1.71 -1.93 0.00 0.00 178.83 175.63 1bw3 n ASN 18 N -4.63 3.75 -0.43 -0.69 5.15 0.74 -4.90 115.26 114.24 1bw3 n ASN 18 Ca 0.21 -3.27 -0.06 0.00 -0.60 0.00 0.00 54.58 50.87 1bw3 n ASN 18 Cb 0.63 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N -0.59 -4.20 -0.39 1.20 2.85 0.30 -4.43 115.26 110.00 1bw3 n ASN 19 Ca 0.29 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1bw3 n ASN 19 Cb 1.05 -2.20 0.00 0.00 1.24 0.00 0.00 39.78 39.88 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 -2.66 0.00 -1.00 1.20 7.02 -0.56 -4.72 117.44 116.72 1bw3 n TRP 20 Ca -0.06 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.42 1bw3 n TRP 20 Cb 0.27 -0.39 -0.00 0.00 -2.42 0.00 0.00 31.31 28.77 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 -0.02 -1.39 0.00 -0.99 -0.08 -0.17 -4.57 116.55 109.33 1bw3 n ASP 21 Ca 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.34 1bw3 n ASP 21 Cb 0.00 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.18 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 4.15 0.31 -2.70 -2.67 7.99 -1.26 -4.32 117.00 118.50 1bw3 n LEU 22 Ca 0.01 0.22 -0.28 0.00 -0.01 0.00 0.00 56.01 55.95 1bw3 n LEU 22 Cb 0.36 -0.40 -0.02 0.00 -0.11 0.00 0.00 43.42 43.25 1bw3 n LEU 22 CO 0.37 -0.40 0.23 0.61 -1.51 0.00 0.00 177.39 176.69 1bw3 n GLY 23 N 1.91 5.84 3.77 -0.72 0.00 -1.26 0.03 105.19 114.76 1bw3 n GLY 23 Ca 0.00 -2.77 -0.39 0.00 0.00 0.00 0.00 46.02 42.86 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 -3.54 3.40 0.00 4.61 0.00 -1.26 -4.82 121.76 120.15 1bw3 s ALA 24 Ca 0.48 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1bw3 s ALA 24 Cb 0.35 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1bw3 s ALA 24 CO -0.17 0.26 0.18 -2.30 0.00 0.00 0.00 175.76 173.74 1bw3 n PRO 25 N 1.41 0.00 -0.56 0.00 -0.01 -1.26 -0.62 135.00 133.97 1bw3 n PRO 25 Ca -0.04 0.18 -0.06 0.00 -0.01 0.00 0.00 63.50 63.58 1bw3 n PRO 25 Cb 0.49 -0.36 0.14 0.00 -0.01 0.00 0.00 33.50 33.75 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 -0.73 3.74 0.03 3.55 0.00 -1.26 -4.51 120.51 121.33 1bw3 n ALA 26 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1bw3 n ALA 26 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.08 0.61 -1.99 0.00 0.31 0.21 -5.14 118.33 112.26 1bw3 n VAL 27 Ca 0.24 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1bw3 n VAL 27 Cb 0.96 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.00 -6.13 -4.82 4.52 3.41 -0.89 -4.97 113.62 101.74 1bw3 n SER 28 Ca 0.00 1.35 -0.38 0.00 -0.26 0.00 0.00 58.87 59.58 1bw3 n SER 28 Cb 0.00 -3.96 -0.06 0.00 -0.26 0.00 0.00 64.21 59.93 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 -0.36 3.60 0.00 7.33 0.00 0.10 -4.97 121.76 127.46 1bw3 s ALA 29 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1bw3 s ALA 29 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1bw3 s ALA 29 CO 0.00 0.42 0.00 0.98 0.00 0.00 0.00 175.76 177.16 1bw3 n TYR 30 N 1.59 0.00 -0.19 0.00 4.19 -1.26 -0.46 117.16 121.04 1bw3 n TYR 30 Ca -0.10 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.15 1bw3 n TYR 30 Cb 0.51 -0.04 0.10 0.00 0.49 0.00 0.00 39.34 40.41 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ALA 32 N 1.22 1.31 -0.01 0.00 0.00 -1.01 0.31 119.26 121.08 1bw3 h ALA 32 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1bw3 h ALA 32 Cb 0.70 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bw3 h ALA 32 CO 0.01 -0.42 0.16 1.15 0.00 0.00 0.00 179.25 180.16 1bw3 h THR 33 N 0.28 0.02 0.00 0.00 2.02 -1.84 -0.44 112.91 112.94 1bw3 h THR 33 Ca 0.55 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.66 1bw3 h THR 33 Cb 1.07 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1bw3 h THR 33 CO -0.60 0.00 -1.25 0.79 0.37 0.00 0.00 175.52 174.83 1bw3 n TRP 34 N -3.02 0.00 -0.04 3.16 8.01 0.71 -4.84 117.44 121.41 1bw3 n TRP 34 Ca -0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.04 1bw3 n TRP 34 Cb 0.22 -0.17 -0.14 0.00 -2.01 0.00 0.00 31.31 29.21 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 -2.48 1.09 -0.09 -0.99 9.92 0.75 -4.58 116.55 120.17 1bw3 n ASP 35 Ca -0.07 0.22 0.04 0.00 -0.53 0.00 0.00 54.79 54.45 1bw3 n ASP 35 Cb 0.59 -0.05 0.08 0.00 -0.64 0.00 0.00 41.12 41.11 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 n ALA 36 N -2.78 0.14 -0.33 2.24 0.00 -0.18 -0.39 120.51 119.22 1bw3 n ALA 36 Ca -0.27 0.28 0.23 0.00 0.00 0.00 0.00 53.44 53.68 1bw3 n ALA 36 Cb 1.07 -0.21 0.46 0.00 0.00 0.00 0.00 19.45 20.77 1bw3 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 h SER 37 N 0.00 0.50 -1.68 0.00 4.64 -1.82 -3.42 113.55 111.76 1bw3 h SER 37 Ca 0.16 0.19 -0.69 0.00 -0.47 0.00 0.00 61.79 60.98 1bw3 h SER 37 Cb 0.34 0.14 0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1bw3 h SER 37 CO -0.25 -0.13 0.68 0.29 -0.87 0.00 0.00 176.83 176.56 1bw3 n LYS 38 N -5.05 1.27 -1.56 4.77 4.76 0.48 -4.87 118.16 117.95 1bw3 n LYS 38 Ca 0.31 0.46 -0.38 0.00 -2.87 0.00 0.00 58.31 55.83 1bw3 n LYS 38 Cb 0.96 -2.14 0.05 0.00 -1.84 0.00 0.00 35.03 32.06 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 3.88 0.75 -0.19 1.97 -0.04 -1.26 -4.75 135.00 135.37 1bw3 n PRO 39 Ca 0.22 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.95 1bw3 n PRO 39 Cb 0.18 -2.00 0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 0.38 -0.62 -0.80 1.53 3.38 -1.91 -2.41 115.31 114.85 1bw3 h LEU 40 Ca -0.47 0.18 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1bw3 h LEU 40 Cb 1.38 0.38 -0.14 0.00 0.09 0.00 0.00 40.66 42.37 1bw3 h LEU 40 CO 0.49 -0.21 -0.32 -1.28 0.09 0.00 0.00 178.44 177.21 1bw3 h SER 41 N -0.03 -1.15 0.62 -0.43 0.87 -1.99 0.45 113.55 111.88 1bw3 h SER 41 Ca 0.27 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 1bw3 h SER 41 Cb 0.44 0.63 0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1bw3 h SER 41 CO -0.60 -0.29 -0.30 -0.25 -0.53 0.00 0.00 176.83 174.86 1bw3 h TRP 42 N -0.06 -0.77 -0.71 2.24 7.01 -1.78 0.31 115.95 122.18 1bw3 h TRP 42 Ca 0.32 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.45 1bw3 h TRP 42 Cb 0.59 0.25 -0.13 0.00 -2.10 0.00 0.00 29.16 27.77 1bw3 h TRP 42 CO -0.73 -0.47 -0.10 0.00 -2.79 0.00 0.00 178.44 174.35 1bw3 h ARG 43 N -0.84 0.04 0.52 2.65 3.08 -1.08 -0.54 114.38 118.21 1bw3 h ARG 43 Ca -0.08 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1bw3 h ARG 43 Cb 0.64 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.69 1bw3 h ARG 43 CO 0.14 0.03 -0.25 0.66 -1.07 0.00 0.00 179.97 179.48 1bw3 h SER 44 N 0.04 -0.59 -0.59 7.04 4.64 -0.86 -3.30 113.55 119.93 1bw3 h SER 44 Ca 0.36 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.72 1bw3 h SER 44 Cb 0.59 0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.76 1bw3 h SER 44 CO -0.69 -0.18 -0.35 1.17 -0.87 0.00 0.00 176.83 175.91 1bw3 n LYS 45 N -5.25 -0.26 -3.08 4.77 4.81 0.11 -3.13 118.16 116.13 1bw3 n LYS 45 Ca -0.09 0.92 -0.45 0.00 -0.87 0.00 0.00 58.31 57.81 1bw3 n LYS 45 Cb 0.29 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 1bw3 n LYS 45 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1bw3 s TYR 46 N -5.22 3.21 0.28 5.64 6.14 -0.27 -5.02 117.35 122.11 1bw3 s TYR 46 Ca -0.07 -1.35 -0.20 0.00 0.64 0.00 0.00 57.07 56.09 1bw3 s TYR 46 Cb 0.06 -4.08 -0.14 0.00 0.42 0.00 0.00 41.96 38.23 1bw3 s TYR 46 CO 0.37 -1.31 0.20 0.41 0.64 0.00 0.00 175.55 175.86 1bw3 n GLY 47 N 5.04 -2.01 2.68 8.97 0.00 -1.18 -4.53 105.19 114.16 1bw3 n GLY 47 Ca 0.09 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1bw3 n GLY 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bw3 s TRP 48 N -1.21 1.85 0.00 1.61 1.48 -1.26 0.17 118.94 121.59 1bw3 s TRP 48 Ca 0.51 -2.34 0.00 0.00 -1.06 0.00 0.00 56.10 53.21 1bw3 s TRP 48 Cb -0.63 -1.78 0.00 0.00 -1.16 0.00 0.00 33.47 29.90 1bw3 s TRP 48 CO 0.51 -0.79 0.00 -2.37 -4.06 0.00 0.00 176.95 170.24 1bw3 n THR 49 N 3.59 0.00 -4.04 0.66 5.66 0.30 -4.21 114.28 116.24 1bw3 n THR 49 Ca 0.09 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.87 1bw3 n THR 49 Cb 0.35 -1.98 -0.05 0.00 -1.55 0.00 0.00 70.33 67.10 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bw3 s ALA 50 N -3.98 3.59 0.00 1.79 0.00 -1.26 -2.11 121.76 119.79 1bw3 s ALA 50 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1bw3 s ALA 50 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1bw3 s ALA 50 CO 0.00 0.13 1.87 1.97 0.00 0.00 0.00 175.76 179.73 1bw3 n PHE 51 N -1.20 0.00 -2.16 0.00 -1.74 0.06 -4.41 117.46 108.01 1bw3 n PHE 51 Ca -0.05 -0.94 -0.39 0.00 -0.56 0.00 0.00 57.45 55.52 1bw3 n PHE 51 Cb 0.59 -0.47 0.01 0.00 1.52 0.00 0.00 39.48 41.14 1bw3 n PHE 51 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bw3 n GLY 53 N 0.10 4.53 0.40 0.00 0.00 -1.26 -4.97 105.19 103.99 1bw3 n GLY 53 Ca 0.52 -2.60 0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 4.16 0.33 -2.85 1.61 0.11 -1.99 -3.28 132.00 130.09 1bw3 h PRO 54 Ca 0.18 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.64 1bw3 h PRO 54 Cb 0.69 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1bw3 h PRO 54 CO 0.78 0.22 3.25 0.00 -0.21 0.00 0.00 178.00 182.04 1bw3 n ALA 55 N -2.55 7.37 0.00 -0.75 0.00 -1.26 -4.86 120.51 118.46 1bw3 n ALA 55 Ca 0.17 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1bw3 n ALA 55 Cb 0.66 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw3 n GLY 56 N 3.24 3.88 3.55 0.00 0.00 -1.24 0.89 105.19 115.51 1bw3 n GLY 56 Ca 0.73 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.60 2.61 0.21 1.61 0.04 -1.26 -4.80 135.00 130.81 1bw3 s PRO 57 Ca 0.00 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 1bw3 s PRO 57 Cb 0.00 -4.40 -0.01 0.00 0.04 0.00 0.00 34.50 30.13 1bw3 s PRO 57 CO 0.00 -2.76 0.38 -0.98 0.04 0.00 0.00 177.00 173.68 1bw3 s ARG 58 N 7.08 1.36 0.00 4.56 3.03 -1.26 -4.89 118.95 128.82 1bw3 s ARG 58 Ca 0.68 -1.23 0.00 0.00 2.03 0.00 0.00 55.73 57.21 1bw3 s ARG 58 Cb -0.13 0.42 0.00 0.00 -1.03 0.00 0.00 34.95 34.22 1bw3 s ARG 58 CO 0.20 -0.53 0.00 0.41 -1.13 0.00 0.00 175.30 174.25 1bw3 n GLY 59 N -0.31 0.65 0.02 3.88 0.00 -1.26 -4.96 105.19 103.21 1bw3 n GLY 59 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1bw3 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw3 h GLN 60 N 0.00 0.00 -1.98 1.61 4.20 -2.00 -3.39 115.11 113.55 1bw3 h GLN 60 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1bw3 h GLN 60 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1bw3 h GLN 60 CO 0.00 0.00 0.01 0.00 -0.67 0.00 0.00 178.83 178.17 1bw3 n ALA 61 N -2.68 4.14 -0.02 3.87 0.00 -1.26 -2.79 120.51 121.77 1bw3 n ALA 61 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1bw3 n ALA 61 Cb 0.08 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 1.48 2.29 -0.81 0.00 0.00 -1.26 -4.62 120.51 117.59 1bw3 n ALA 62 Ca 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1bw3 n ALA 62 Cb 0.52 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 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 2.52 0.80 3.52 0.00 0.00 -1.26 -5.05 105.19 105.72 1bw3 n GLY 64 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 1.78 0.24 1.61 1.02 -0.65 -4.84 119.74 118.90 1bw3 s LYS 65 Ca 0.00 -2.01 0.10 0.00 0.02 0.00 0.00 55.97 54.08 1bw3 s LYS 65 Cb 0.00 -1.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 1bw3 s LYS 65 CO 0.00 -0.16 -0.17 0.00 -0.92 0.00 0.00 175.35 174.10 1bw3 s LEU 67 N -3.42 2.48 -0.08 0.00 1.43 0.76 -0.00 118.68 119.85 1bw3 s LEU 67 Ca 0.26 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 1bw3 s LEU 67 Cb -0.03 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1bw3 s LEU 67 CO 0.11 0.01 0.44 -0.60 0.23 0.00 0.00 176.35 176.54 1bw3 s ARG 68 N 1.29 4.20 -0.17 1.70 3.52 0.73 -0.81 118.95 129.41 1bw3 s ARG 68 Ca 0.04 0.42 -0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1bw3 s ARG 68 Cb -0.14 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 1bw3 s ARG 68 CO -0.07 0.35 -0.13 0.08 -0.81 0.00 0.00 175.30 174.72 1bw3 s VAL 69 N -0.00 2.78 -0.00 7.11 1.01 -0.30 -0.84 120.40 130.15 1bw3 s VAL 69 Ca 0.24 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1bw3 s VAL 69 Cb -0.16 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1bw3 s VAL 69 CO 0.11 0.50 -0.23 -0.89 0.00 0.00 0.00 175.10 174.60 1bw3 s THR 70 N 0.91 2.38 -0.82 3.92 2.01 0.48 -0.84 115.64 123.68 1bw3 s THR 70 Ca -0.03 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1bw3 s THR 70 Cb -0.15 -1.89 0.24 0.00 0.01 0.00 0.00 72.50 70.71 1bw3 s THR 70 CO -0.01 0.51 0.88 -3.20 -0.69 0.00 0.00 174.62 172.11 1bw3 n ASN 71 N 2.16 4.37 -0.33 3.53 5.15 0.24 -1.36 115.26 129.02 1bw3 n ASN 71 Ca -0.16 -3.32 -0.02 0.00 -0.60 0.00 0.00 54.58 50.48 1bw3 n ASN 71 Cb 0.52 -0.92 0.04 0.00 -0.53 0.00 0.00 39.78 38.88 1bw3 n ASN 71 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1bw3 h PRO 72 N 5.14 -0.04 -0.79 1.20 0.11 -1.84 0.12 132.00 135.89 1bw3 h PRO 72 Ca 0.18 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.58 1bw3 h PRO 72 Cb 0.71 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.68 1bw3 h PRO 72 CO 0.93 -0.03 0.24 0.00 -0.21 0.00 0.00 178.00 178.94 1bw3 n ALA 73 N -3.39 0.63 -0.08 -0.75 0.00 -1.26 -1.45 120.51 114.21 1bw3 n ALA 73 Ca 0.09 0.82 -0.09 0.00 0.00 0.00 0.00 53.44 54.26 1bw3 n ALA 73 Cb 0.39 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1bw3 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw3 n THR 74 N -4.92 1.01 0.00 0.00 -2.24 0.23 -5.02 114.28 103.34 1bw3 n THR 74 Ca 0.25 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1bw3 n THR 74 Cb 0.83 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.28 0.72 3.93 3.38 0.00 -0.19 -5.08 105.19 110.23 1bw3 n GLY 75 Ca -0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 3.56 0.16 4.61 0.00 -1.25 -4.87 121.76 121.97 1bw3 s ALA 76 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1bw3 s ALA 76 Cb 0.00 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.83 1bw3 s ALA 76 CO 0.00 -0.47 0.54 1.14 0.00 0.00 0.00 175.76 176.96 1bw3 s GLN 77 N -4.70 1.25 0.18 0.00 1.03 -1.26 -0.59 119.66 115.58 1bw3 s GLN 77 Ca 0.49 -0.61 -0.05 0.00 0.04 0.00 0.00 55.36 55.22 1bw3 s GLN 77 Cb -0.10 0.55 -0.03 0.00 0.03 0.00 0.00 33.01 33.46 1bw3 s GLN 77 CO 0.41 -0.53 0.22 -1.50 -2.54 0.00 0.00 175.29 171.35 1bw3 s ILE 78 N -3.79 0.04 -0.18 3.63 1.10 -0.02 -4.94 121.20 117.04 1bw3 s ILE 78 Ca 0.03 -1.71 0.01 0.00 -0.51 0.00 0.00 60.65 58.47 1bw3 s ILE 78 Cb -0.00 -2.18 0.03 0.00 0.15 0.00 0.00 42.46 40.46 1bw3 s ILE 78 CO -0.11 -0.18 -0.16 -0.89 -2.11 0.00 0.00 174.94 171.50 1bw3 s THR 79 N -4.06 1.85 0.39 4.00 2.01 -1.26 -1.15 115.64 117.41 1bw3 s THR 79 Ca 0.27 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1bw3 s THR 79 Cb 0.05 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1bw3 s THR 79 CO 0.06 0.43 0.24 0.00 -0.69 0.00 0.00 174.62 174.66 1bw3 s ALA 80 N 1.36 3.74 0.05 7.40 0.00 0.01 -4.32 121.76 129.99 1bw3 s ALA 80 Ca 0.03 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1bw3 s ALA 80 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1bw3 s ALA 80 CO -0.11 -0.11 0.04 0.50 0.00 0.00 0.00 175.76 176.07 1bw3 s ARG 81 N -3.97 2.80 -0.44 0.00 3.52 0.46 -0.17 118.95 121.15 1bw3 s ARG 81 Ca 0.42 -0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 55.13 1bw3 s ARG 81 Cb -0.01 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1bw3 s ARG 81 CO 0.25 0.59 0.73 0.42 -0.81 0.00 0.00 175.30 176.47 1bw3 s ILE 82 N -1.25 4.73 0.13 4.11 1.01 -0.57 0.11 121.20 129.47 1bw3 s ILE 82 Ca 0.25 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1bw3 s ILE 82 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1bw3 s ILE 82 CO 0.17 -0.64 0.00 0.52 0.00 0.00 0.00 174.94 174.99 1bw3 n VAL 83 N 5.99 0.08 -2.13 2.92 0.31 -0.90 -4.33 118.33 120.26 1bw3 n VAL 83 Ca 0.01 0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.18 1bw3 n VAL 83 Cb 0.48 -0.63 0.11 0.00 -0.91 0.00 0.00 33.84 32.89 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bw3 n ASP 84 N -3.02 0.57 -4.45 4.52 2.03 -1.19 -4.23 116.55 110.78 1bw3 n ASP 84 Ca 0.00 -1.60 -0.31 0.00 0.52 0.00 0.00 54.79 53.40 1bw3 n ASP 84 Cb 0.03 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 39.73 1bw3 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw3 s GLN 85 N -4.62 2.23 0.39 -0.67 -2.07 -1.26 -0.76 119.66 112.90 1bw3 s GLN 85 Ca 0.49 -0.87 0.04 0.00 -1.82 0.00 0.00 55.36 53.20 1bw3 s GLN 85 Cb -0.02 -2.24 -0.04 0.00 -1.09 0.00 0.00 33.01 29.62 1bw3 s GLN 85 CO 0.34 0.57 0.09 0.00 -1.32 0.00 0.00 175.29 174.97 1bw3 n ALA 87 N -0.86 0.00 -0.72 0.00 0.00 -1.26 -4.99 120.51 112.67 1bw3 n ALA 87 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1bw3 n ALA 87 Cb 0.66 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.15 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 0.00 1.61 -0.26 0.00 0.23 -1.26 -5.01 115.26 110.57 1bw3 n ASN 88 Ca 0.00 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.82 1bw3 n ASN 88 Cb 0.20 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N -0.69 0.95 3.37 4.83 0.00 -1.26 -5.06 105.19 107.33 1bw3 n GLY 89 Ca 0.05 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 1bw3 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw3 s GLY 90 N -2.69 1.59 0.43 -0.02 0.00 -1.26 -3.58 107.32 101.78 1bw3 s GLY 90 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 43.02 1bw3 s GLY 90 CO 0.00 -1.78 0.04 1.08 0.00 0.00 0.00 173.10 172.45 1bw3 s LEU 91 N -3.36 2.79 0.11 0.66 1.43 -1.25 -4.83 118.68 114.23 1bw3 s LEU 91 Ca 0.26 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1bw3 s LEU 91 Cb 0.02 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1bw3 s LEU 91 CO 0.09 -0.56 0.00 -0.90 0.23 0.00 0.00 176.35 175.21 1bw3 n ASP 92 N -1.09 -2.57 -0.09 2.29 5.68 -1.26 -4.81 116.55 114.70 1bw3 n ASP 92 Ca -0.07 0.20 -0.23 0.00 -0.50 0.00 0.00 54.79 54.19 1bw3 n ASP 92 Cb 0.67 -1.83 -0.12 0.00 -1.14 0.00 0.00 41.12 38.70 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bw3 n LEU 93 N -1.84 2.06 0.00 -2.12 7.99 -1.26 -4.83 117.00 117.00 1bw3 n LEU 93 Ca -0.00 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1bw3 n LEU 93 Cb 0.55 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1bw3 n LEU 93 CO 0.00 0.46 0.00 -0.67 -1.51 0.00 0.00 177.39 175.67 1bw3 n ASP 94 N -4.19 0.00 0.00 -1.43 -0.08 -1.26 -4.34 116.55 105.25 1bw3 n ASP 94 Ca -0.37 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1bw3 n ASP 94 Cb 0.80 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.26 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1bw3 n TRP 95 N 0.00 0.00 0.30 -0.67 -0.00 -1.26 -4.76 117.44 111.05 1bw3 n TRP 95 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.68 1bw3 n TRP 95 Cb 0.00 0.00 0.78 0.00 -0.00 0.00 0.00 31.31 32.09 1bw3 n TRP 95 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1bw3 h ASP 96 N 0.00 0.00 0.00 5.87 3.58 -1.98 -3.26 116.42 120.63 1bw3 h ASP 96 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bw3 h ASP 96 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1bw3 h ASP 96 CO 0.00 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.71 1bw3 n THR 97 N -2.97 0.00 0.00 2.25 -2.24 -1.26 -4.23 114.28 105.83 1bw3 n THR 97 Ca -0.00 1.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.91 1bw3 n THR 97 Cb 0.24 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 -1.00 0.00 -0.25 2.28 0.31 -1.25 -4.27 118.33 114.15 1bw3 n VAL 98 Ca 0.00 0.37 0.01 0.00 -0.01 0.00 0.00 64.34 64.71 1bw3 n VAL 98 Cb 0.00 -1.24 0.05 0.00 -0.91 0.00 0.00 33.84 31.74 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 -1.93 0.10 1.15 3.52 7.35 -1.24 0.31 117.46 126.72 1bw3 n PHE 99 Ca 0.00 0.81 0.14 0.00 -0.76 0.00 0.00 57.45 57.64 1bw3 n PHE 99 Cb 0.00 -0.80 0.59 0.00 0.35 0.00 0.00 39.48 39.62 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N -5.01 0.00 -0.05 -2.13 -2.24 -1.23 -3.18 114.28 100.44 1bw3 n THR 100 Ca 0.08 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1bw3 n THR 100 Cb 0.29 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw3 n LYS 101 N -1.38 0.69 0.00 -0.78 4.76 0.15 -4.21 118.16 117.39 1bw3 n LYS 101 Ca 0.09 0.30 0.14 0.00 -2.87 0.00 0.00 58.31 55.97 1bw3 n LYS 101 Cb 0.31 -1.66 0.63 0.00 -1.84 0.00 0.00 35.03 32.47 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw3 n ILE 102 N -3.67 0.03 -2.95 -0.18 -5.35 -0.02 -4.44 119.36 102.77 1bw3 n ILE 102 Ca -0.37 0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 61.69 1bw3 n ILE 102 Cb 0.96 -0.51 0.01 0.00 -1.74 0.00 0.00 39.64 38.35 1bw3 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw3 n ASP 103 N -1.47 6.22 -0.05 7.28 9.92 -1.19 -4.66 116.55 132.59 1bw3 n ASP 103 Ca 0.08 -3.35 -0.05 0.00 -0.53 0.00 0.00 54.79 50.93 1bw3 n ASP 103 Cb 0.32 -1.30 -0.04 0.00 -0.64 0.00 0.00 41.12 39.46 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bw3 h THR 104 N 3.48 0.00 0.00 -3.53 1.35 -1.87 -3.30 112.91 109.04 1bw3 h THR 104 Ca 0.22 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.98 1bw3 h THR 104 Cb 0.63 0.00 -0.22 0.00 -1.73 0.00 0.00 68.15 66.83 1bw3 h THR 104 CO 1.35 0.00 -0.80 -0.46 -0.25 0.00 0.00 175.52 175.36 1bw3 n ASN 105 N -3.75 1.27 -2.21 5.36 6.94 -1.26 -4.86 115.26 116.75 1bw3 n ASN 105 Ca -0.01 -2.76 -0.27 0.00 -0.02 0.00 0.00 54.58 51.52 1bw3 n ASN 105 Cb 0.13 -0.39 0.02 0.00 -2.36 0.00 0.00 39.78 37.19 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 106 N -0.18 6.20 0.00 4.83 0.00 -1.24 -4.93 105.19 109.87 1bw3 n GLY 106 Ca 0.11 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.68 0.00 0.00 -0.61 -0.00 -1.26 -4.71 119.36 112.10 1bw3 n ILE 107 Ca 0.46 0.52 0.00 0.00 -0.00 0.00 0.00 62.75 63.73 1bw3 n ILE 107 Cb 0.82 -0.69 0.00 0.00 -0.00 0.00 0.00 39.64 39.77 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bw3 n GLY 108 N -1.00 0.30 0.32 7.39 0.00 -1.26 -4.75 105.19 106.20 1bw3 n GLY 108 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1bw3 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw3 n TYR 109 N -0.75 0.58 -0.17 1.61 9.36 -1.26 -1.56 117.16 124.97 1bw3 n TYR 109 Ca 0.00 1.13 -0.11 0.00 3.32 0.00 0.00 57.90 62.24 1bw3 n TYR 109 Cb 0.00 -1.19 -0.08 0.00 -0.63 0.00 0.00 39.34 37.44 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1bw3 h GLN 110 N 0.00 -0.23 -0.08 2.98 4.20 -1.96 -1.32 115.11 118.71 1bw3 h GLN 110 Ca 0.56 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 59.14 1bw3 h GLN 110 Cb 1.14 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1bw3 h GLN 110 CO -0.88 -0.15 -0.59 1.96 -0.67 0.00 0.00 178.83 178.50 1bw3 h GLN 111 N -0.24 0.25 0.00 1.46 4.20 -1.83 -3.47 115.11 115.49 1bw3 h GLN 111 Ca 0.08 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bw3 h GLN 111 Cb 0.44 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1bw3 h GLN 111 CO -0.56 0.77 0.00 0.41 -0.67 0.00 0.00 178.83 178.78 1bw3 n GLY 112 N 0.24 1.06 3.02 3.46 0.00 -0.50 -5.09 105.19 107.38 1bw3 n GLY 112 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 0.48 0.30 1.61 -3.43 -1.24 -4.17 115.29 106.78 1bw3 s HIS 113 Ca 0.00 -0.46 0.06 0.00 -0.80 0.00 0.00 55.06 53.86 1bw3 s HIS 113 Cb 0.00 -0.30 -0.06 0.00 -1.43 0.00 0.00 32.58 30.79 1bw3 s HIS 113 CO 0.00 -0.11 -0.02 -1.17 -2.00 0.00 0.00 174.74 171.44 1bw3 s LEU 114 N -1.36 2.43 -0.25 5.38 2.96 -1.16 -4.79 118.68 121.89 1bw3 s LEU 114 Ca -0.11 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 1bw3 s LEU 114 Cb -0.09 -0.58 0.04 0.00 0.50 0.00 0.00 46.19 46.06 1bw3 s LEU 114 CO -0.00 -0.42 -0.09 0.21 -1.32 0.00 0.00 176.35 174.72 1bw3 s ASN 115 N -3.47 4.25 0.42 3.68 3.84 -1.26 -3.05 114.94 119.35 1bw3 s ASN 115 Ca 0.32 -1.07 0.03 0.00 0.21 0.00 0.00 52.86 52.35 1bw3 s ASN 115 Cb 0.06 -1.60 -0.03 0.00 -0.55 0.00 0.00 41.25 39.12 1bw3 s ASN 115 CO 0.13 -0.15 0.07 0.68 -2.79 0.00 0.00 177.10 175.05 1bw3 s VAL 116 N 1.23 0.97 0.09 -5.21 -7.23 -1.15 -4.72 120.40 104.39 1bw3 s VAL 116 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1bw3 s VAL 116 Cb -0.18 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1bw3 s VAL 116 CO -0.06 0.00 -0.12 0.20 -0.31 0.00 0.00 175.10 174.82 1bw3 s ASN 117 N -3.66 1.57 -0.02 4.85 0.01 -0.46 -1.29 114.94 115.93 1bw3 s ASN 117 Ca 0.23 -0.74 -0.16 0.00 -0.71 0.00 0.00 52.86 51.47 1bw3 s ASN 117 Cb 0.04 -0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.71 1bw3 s ASN 117 CO 0.12 -0.19 0.34 -0.72 -1.51 0.00 0.00 177.10 175.14 1bw3 s TYR 118 N -2.01 -0.23 -0.03 2.20 -0.85 -0.12 -0.39 117.35 115.93 1bw3 s TYR 118 Ca 0.03 0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.98 1bw3 s TYR 118 Cb -0.06 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.41 1bw3 s TYR 118 CO 0.01 -0.40 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.89 1bw3 s GLN 119 N -1.25 1.09 0.10 -3.49 1.11 -0.02 -1.65 119.66 115.56 1bw3 s GLN 119 Ca -0.13 -0.37 -0.31 0.00 0.01 0.00 0.00 55.36 54.56 1bw3 s GLN 119 Cb -0.05 -1.01 -0.08 0.00 -1.01 0.00 0.00 33.01 30.86 1bw3 s GLN 119 CO 0.05 0.15 1.47 -0.06 0.01 0.00 0.00 175.29 176.91 1bw3 s PHE 120 N 0.10 3.03 0.33 0.91 0.40 -0.81 -0.19 117.98 121.75 1bw3 s PHE 120 Ca -0.02 0.77 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 1bw3 s PHE 120 Cb -0.08 -3.78 -0.04 0.00 0.51 0.00 0.00 43.02 39.63 1bw3 s PHE 120 CO 0.01 -2.84 0.12 0.08 0.70 0.00 0.00 175.22 173.29 1bw3 s VAL 121 N 1.53 0.60 0.35 -0.44 1.01 0.99 -4.84 120.40 119.60 1bw3 s VAL 121 Ca 0.67 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.58 1bw3 s VAL 121 Cb -0.38 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1bw3 s VAL 121 CO 0.30 0.00 0.66 -0.62 0.00 0.00 0.00 175.10 175.44 1bw3 s ASP 122 N -3.45 6.45 -0.06 3.32 2.15 -1.26 -1.30 116.67 122.53 1bw3 s ASP 122 Ca 0.33 0.88 0.08 0.00 0.43 0.00 0.00 52.55 54.28 1bw3 s ASP 122 Cb 0.06 -2.22 -0.24 0.00 -0.30 0.00 0.00 42.92 40.22 1bw3 s ASP 122 CO 0.16 -0.31 0.60 0.00 -0.17 0.00 0.00 175.17 175.45 1bw3 n ARG 124 N -3.14 -0.59 0.00 0.00 0.63 -1.26 -5.10 116.66 107.21 1bw3 n ARG 124 Ca -0.20 -0.15 0.14 0.00 -0.92 0.00 0.00 57.85 56.72 1bw3 n ARG 124 Cb 1.05 -1.25 0.53 0.00 0.45 0.00 0.00 32.46 33.25 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65