#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 1.83 -0.02 3.49 -0.44 -1.26 -3.24 119.66 120.03 1bw3 s GLN 2 Ca 0.00 -0.91 0.01 0.00 -2.50 0.00 0.00 55.36 51.96 1bw3 s GLN 2 Cb 0.00 -1.84 0.01 0.00 -1.64 0.00 0.00 33.01 29.55 1bw3 s GLN 2 CO 0.00 0.49 -0.01 0.00 0.50 0.00 0.00 175.29 176.27 1bw3 s ALA 3 N -0.63 0.27 0.49 1.58 0.00 -0.58 -5.01 121.76 117.88 1bw3 s ALA 3 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1bw3 s ALA 3 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1bw3 s ALA 3 CO -0.00 -0.01 0.02 0.54 0.00 0.00 0.00 175.76 176.30 1bw3 s ASN 4 N 0.55 4.09 -1.44 0.00 4.22 -1.26 -0.76 114.94 120.34 1bw3 s ASN 4 Ca -0.05 -1.56 -0.06 0.00 -2.14 0.00 0.00 52.86 49.04 1bw3 s ASN 4 Cb -0.08 0.28 0.01 0.00 1.28 0.00 0.00 41.25 42.74 1bw3 s ASN 4 CO -0.01 -0.76 0.12 0.47 -2.04 0.00 0.00 177.10 174.88 1bw3 n ASP 5 N -1.21 0.05 -4.62 3.54 9.92 -1.22 -4.94 116.55 118.07 1bw3 n ASP 5 Ca -0.15 -1.24 -0.34 0.00 -0.53 0.00 0.00 54.79 52.52 1bw3 n ASP 5 Cb 0.67 -1.54 -0.10 0.00 -0.64 0.00 0.00 41.12 39.51 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 -4.21 4.27 -0.51 2.53 1.01 -0.89 -4.93 120.40 117.66 1bw3 s VAL 6 Ca 0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1bw3 s VAL 6 Cb -0.05 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1bw3 s VAL 6 CO 0.96 0.55 1.03 0.00 0.00 0.00 0.00 175.10 177.64 1bw3 s ARG 7 N -0.30 3.52 0.16 2.72 1.70 -1.26 -2.32 118.95 123.18 1bw3 s ARG 7 Ca 0.06 0.17 0.02 0.00 -0.47 0.00 0.00 55.73 55.51 1bw3 s ARG 7 Cb -0.12 -3.97 -0.04 0.00 -0.57 0.00 0.00 34.95 30.25 1bw3 s ARG 7 CO 0.02 -1.41 0.31 0.00 -1.08 0.00 0.00 175.30 173.14 1bw3 s ALA 8 N 4.19 3.95 0.31 7.88 0.00 0.64 -4.87 121.76 133.85 1bw3 s ALA 8 Ca 0.39 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1bw3 s ALA 8 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1bw3 s ALA 8 CO 0.26 0.50 0.39 0.95 0.00 0.00 0.00 175.76 177.85 1bw3 s THR 9 N -1.78 0.00 0.09 0.00 -4.23 -1.26 0.44 115.64 108.90 1bw3 s THR 9 Ca 0.35 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1bw3 s THR 9 Cb -0.11 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1bw3 s THR 9 CO 0.29 0.00 -0.14 -0.72 -0.54 0.00 0.00 174.62 173.51 1bw3 s TYR 10 N -3.39 1.28 -0.15 3.99 -0.85 -1.26 -4.78 117.35 112.19 1bw3 s TYR 10 Ca 0.33 -0.50 -0.08 0.00 -0.52 0.00 0.00 57.07 56.30 1bw3 s TYR 10 Cb 0.01 -0.70 0.06 0.00 0.38 0.00 0.00 41.96 41.70 1bw3 s TYR 10 CO 0.20 0.08 0.36 -1.58 -1.52 0.00 0.00 175.55 173.09 1bw3 s HIS 11 N -1.59 -0.53 -0.07 -3.49 2.46 -1.26 -5.08 115.29 105.73 1bw3 s HIS 11 Ca 0.02 1.14 0.05 0.00 0.47 0.00 0.00 55.06 56.75 1bw3 s HIS 11 Cb -0.08 0.20 -0.01 0.00 -0.13 0.00 0.00 32.58 32.56 1bw3 s HIS 11 CO 0.02 -0.32 -0.23 1.52 -2.47 0.00 0.00 174.74 173.26 1bw3 s TYR 12 N 1.42 2.50 0.00 3.88 -0.85 -1.26 -4.73 117.35 118.31 1bw3 s TYR 12 Ca -0.09 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 1bw3 s TYR 12 Cb -0.09 -1.64 0.00 0.00 0.38 0.00 0.00 41.96 40.61 1bw3 s TYR 12 CO -0.11 -0.23 0.00 2.48 -1.52 0.00 0.00 175.55 176.17 1bw3 n TYR 13 N 3.04 0.00 -3.64 -3.49 4.11 -1.26 -4.99 117.16 110.93 1bw3 n TYR 13 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.44 1bw3 n TYR 13 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.75 1bw3 n TYR 13 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1bw3 s ARG 14 N -0.09 1.53 0.00 -3.48 0.52 -1.26 -5.10 118.95 111.06 1bw3 s ARG 14 Ca 0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 55.73 52.69 1bw3 s ARG 14 Cb 0.00 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1bw3 s ARG 14 CO 0.00 -1.30 0.00 -0.35 0.02 0.00 0.00 175.30 173.67 1bw3 n PRO 15 N 2.69 1.10 -0.18 3.54 -0.05 -1.26 -4.53 135.00 136.31 1bw3 n PRO 15 Ca 0.22 0.00 0.18 0.00 -0.05 0.00 0.00 63.50 63.84 1bw3 n PRO 15 Cb 0.40 0.00 0.27 0.00 -0.05 0.00 0.00 33.50 34.13 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bw3 n ALA 16 N -3.00 0.63 -0.28 0.55 0.00 -1.26 -0.29 120.51 116.86 1bw3 n ALA 16 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.75 1bw3 n ALA 16 Cb 0.00 -0.38 0.24 0.00 0.00 0.00 0.00 19.45 19.31 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 0.37 -1.10 0.00 1.08 -1.99 1.19 115.11 114.65 1bw3 h GLN 17 Ca 0.31 -0.02 -0.64 0.00 -1.45 0.00 0.00 58.65 56.85 1bw3 h GLN 17 Cb 1.59 -0.08 -0.35 0.00 -0.05 0.00 0.00 27.48 28.59 1bw3 h GLN 17 CO -0.00 0.24 0.14 -1.71 -0.95 0.00 0.00 178.83 176.55 1bw3 n ASN 18 N -5.07 6.40 -3.37 1.46 5.15 0.60 -4.82 115.26 115.62 1bw3 n ASN 18 Ca 0.18 -3.78 -0.21 0.00 -0.60 0.00 0.00 54.58 50.17 1bw3 n ASN 18 Cb 0.54 -0.71 -0.02 0.00 -0.53 0.00 0.00 39.78 39.05 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 -0.75 -2.58 -1.86 1.20 2.85 0.41 -1.54 115.26 112.98 1bw3 n ASN 19 Ca 0.53 -0.33 -0.05 0.00 -0.11 0.00 0.00 54.58 54.61 1bw3 n ASN 19 Cb 0.71 -2.21 -0.01 0.00 1.24 0.00 0.00 39.78 39.51 1bw3 n ASN 19 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1bw3 n TRP 20 N -3.57 -0.88 -1.61 1.20 2.14 -0.89 -4.75 117.44 109.09 1bw3 n TRP 20 Ca 0.01 0.09 -0.47 0.00 2.07 0.00 0.00 57.50 59.20 1bw3 n TRP 20 Cb 0.51 -0.60 -0.05 0.00 -0.81 0.00 0.00 31.31 30.37 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1bw3 n ASP 21 N -0.75 3.14 0.00 -0.67 2.03 -0.59 -4.77 116.55 114.94 1bw3 n ASP 21 Ca 0.01 0.66 0.03 0.00 0.52 0.00 0.00 54.79 56.02 1bw3 n ASP 21 Cb 0.24 -1.40 0.18 0.00 -0.72 0.00 0.00 41.12 39.42 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw3 n LEU 22 N 8.64 0.00 0.07 -2.67 4.77 -1.26 -0.43 117.00 126.12 1bw3 n LEU 22 Ca 0.29 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1bw3 n LEU 22 Cb 0.32 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1bw3 n LEU 22 CO 0.72 -0.19 -0.17 0.61 -1.33 0.00 0.00 177.39 177.03 1bw3 n GLY 23 N -0.67 -1.34 3.61 -0.72 0.00 -1.26 -1.84 105.19 102.96 1bw3 n GLY 23 Ca 0.04 -0.31 -0.50 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.17 -0.29 -0.30 4.61 0.00 0.43 -4.61 120.51 118.17 1bw3 n ALA 24 Ca -0.01 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.93 1bw3 n ALA 24 Cb 0.55 -2.14 0.05 0.00 0.00 0.00 0.00 19.45 17.91 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 2.59 -0.15 -0.60 0.00 -0.04 -1.26 -0.36 135.00 135.17 1bw3 n PRO 25 Ca 0.17 1.21 -0.11 0.00 -0.04 0.00 0.00 63.50 64.73 1bw3 n PRO 25 Cb 0.23 -1.80 0.10 0.00 -0.04 0.00 0.00 33.50 31.98 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 -3.62 3.99 0.06 0.55 0.00 -1.26 -4.38 120.51 115.84 1bw3 n ALA 26 Ca 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1bw3 n ALA 26 Cb 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.28 0.88 -2.87 0.00 0.31 0.51 -5.08 118.33 111.81 1bw3 n VAL 27 Ca 0.29 0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.75 1bw3 n VAL 27 Cb 1.06 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.68 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 -3.36 -2.67 -4.83 4.52 3.41 -1.00 -4.94 113.62 104.75 1bw3 n SER 28 Ca 0.00 -0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 57.89 1bw3 n SER 28 Cb 0.00 -0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 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 -1.86 3.58 0.03 7.33 0.00 -0.77 -5.00 121.76 125.07 1bw3 s ALA 29 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1bw3 s ALA 29 Cb -0.01 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1bw3 s ALA 29 CO 0.47 0.43 0.47 0.98 0.00 0.00 0.00 175.76 178.12 1bw3 n TYR 30 N 1.10 -0.08 -0.18 0.00 4.19 -1.24 0.34 117.16 121.29 1bw3 n TYR 30 Ca -0.07 0.23 -0.11 0.00 3.31 0.00 0.00 57.90 61.26 1bw3 n TYR 30 Cb 0.51 -0.36 0.11 0.00 0.49 0.00 0.00 39.34 40.10 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 1.61 0.35 -0.19 0.00 0.00 -0.42 0.16 119.26 120.76 1bw3 h ALA 32 Ca 0.31 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1bw3 h ALA 32 Cb 1.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1bw3 h ALA 32 CO 0.56 0.11 0.32 1.15 0.00 0.00 0.00 179.25 181.39 1bw3 h THR 33 N 0.24 0.26 0.00 0.00 2.02 -1.77 -1.13 112.91 112.54 1bw3 h THR 33 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1bw3 h THR 33 Cb 0.45 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1bw3 h THR 33 CO 0.02 0.00 -1.29 0.79 0.37 0.00 0.00 175.52 175.40 1bw3 n TRP 34 N -3.43 0.00 -0.07 3.16 8.01 -1.05 -4.78 117.44 119.28 1bw3 n TRP 34 Ca 0.02 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.13 1bw3 n TRP 34 Cb 0.43 -0.19 -0.11 0.00 -2.01 0.00 0.00 31.31 29.43 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 -1.98 1.70 0.11 -0.99 8.00 0.52 -4.38 116.55 119.52 1bw3 n ASP 35 Ca -0.05 -0.02 0.08 0.00 0.71 0.00 0.00 54.79 55.52 1bw3 n ASP 35 Cb 0.45 0.67 0.42 0.00 -0.02 0.00 0.00 41.12 42.64 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw3 n ALA 36 N -2.60 1.18 0.81 2.24 0.00 -0.43 -0.31 120.51 121.40 1bw3 n ALA 36 Ca -0.24 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1bw3 n ALA 36 Cb 0.94 -1.25 0.28 0.00 0.00 0.00 0.00 19.45 19.42 1bw3 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw3 n SER 37 N -2.03 0.53 -4.83 0.00 3.41 -1.26 -4.87 113.62 104.58 1bw3 n SER 37 Ca -0.00 0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 1bw3 n SER 37 Cb 0.07 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -3.07 4.15 0.08 4.33 3.01 0.58 -5.04 119.74 123.78 1bw3 s LYS 38 Ca 0.09 1.06 -0.01 0.00 -1.01 0.00 0.00 55.97 56.10 1bw3 s LYS 38 Cb 0.16 -2.18 0.02 0.00 -1.01 0.00 0.00 37.83 34.82 1bw3 s LYS 38 CO 0.68 -0.08 0.05 -0.35 0.51 0.00 0.00 175.35 176.16 1bw3 n PRO 39 N -0.86 -1.33 -0.06 -1.68 -0.04 -1.26 -4.82 135.00 124.95 1bw3 n PRO 39 Ca 0.07 -0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1bw3 n PRO 39 Cb 0.54 -0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 0.00 1.53 -0.00 -1.98 -3.28 115.31 111.58 1bw3 h LEU 40 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1bw3 h LEU 40 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1bw3 h LEU 40 CO 0.01 0.72 0.00 -0.24 -0.00 0.00 0.00 178.44 178.93 1bw3 n SER 41 N -4.70 0.00 -0.40 -0.43 2.88 -1.26 -0.22 113.62 109.48 1bw3 n SER 41 Ca -0.04 0.46 -0.07 0.00 -1.33 0.00 0.00 58.87 57.88 1bw3 n SER 41 Cb 0.21 -0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.52 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw3 h TRP 42 N 0.00 -1.55 -0.47 0.66 7.01 -1.96 0.82 115.95 120.47 1bw3 h TRP 42 Ca 0.00 0.12 0.07 0.00 2.11 0.00 0.00 58.89 61.19 1bw3 h TRP 42 Cb 0.00 0.81 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 1bw3 h TRP 42 CO -0.21 -0.39 0.13 0.00 -2.79 0.00 0.00 178.44 175.18 1bw3 h ARG 43 N -0.00 0.27 0.00 2.65 3.08 -1.30 0.85 114.38 119.92 1bw3 h ARG 43 Ca 0.24 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1bw3 h ARG 43 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1bw3 h ARG 43 CO -0.96 0.18 -0.02 0.66 -1.07 0.00 0.00 179.97 178.76 1bw3 h SER 44 N 0.28 0.00 0.03 7.04 4.64 0.15 -3.31 113.55 122.38 1bw3 h SER 44 Ca 0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1bw3 h SER 44 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1bw3 h SER 44 CO -0.27 0.02 -0.02 0.50 -0.87 0.00 0.00 176.83 176.19 1bw3 h LYS 45 N 0.00 -0.05 -4.69 4.77 3.64 0.16 -3.42 116.57 116.98 1bw3 h LYS 45 Ca -0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1bw3 h LYS 45 Cb 0.91 0.01 -0.27 0.00 -0.41 0.00 0.00 32.23 32.47 1bw3 h LYS 45 CO 0.00 0.50 -0.60 -0.47 -2.27 0.00 0.00 179.45 176.61 1bw3 s TYR 46 N -3.88 3.23 1.12 1.91 6.14 0.19 -5.06 117.35 120.99 1bw3 s TYR 46 Ca -0.16 -1.24 -0.17 0.00 0.64 0.00 0.00 57.07 56.15 1bw3 s TYR 46 Cb 0.01 -2.30 0.17 0.00 0.42 0.00 0.00 41.96 40.27 1bw3 s TYR 46 CO 0.64 -0.68 0.27 0.41 0.64 0.00 0.00 175.55 176.83 1bw3 n GLY 47 N 4.86 -2.66 2.71 8.97 0.00 -1.26 -4.66 105.19 113.15 1bw3 n GLY 47 Ca -0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1bw3 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw3 n TRP 48 N -4.61 -3.30 -0.27 1.61 4.27 -1.26 0.69 117.44 114.56 1bw3 n TRP 48 Ca 0.05 -1.75 0.00 0.00 -3.89 0.00 0.00 57.50 51.90 1bw3 n TRP 48 Cb 0.50 1.39 0.00 0.00 -1.36 0.00 0.00 31.31 31.84 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1bw3 n THR 49 N 2.16 0.00 -4.08 -1.67 -2.24 0.11 -4.65 114.28 103.91 1bw3 n THR 49 Ca 0.14 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1bw3 n THR 49 Cb 0.59 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw3 s ALA 50 N -3.66 4.03 -0.66 6.98 0.00 -1.26 -0.82 121.76 126.36 1bw3 s ALA 50 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1bw3 s ALA 50 Cb 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 23.12 22.78 1bw3 s ALA 50 CO 0.00 -0.26 0.57 -0.59 0.00 0.00 0.00 175.76 175.48 1bw3 s PHE 51 N -2.69 3.54 0.00 0.00 -0.12 0.34 -4.72 117.98 114.32 1bw3 s PHE 51 Ca 0.34 -1.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.23 1bw3 s PHE 51 Cb 0.01 -3.63 0.00 0.00 -0.63 0.00 0.00 43.02 38.77 1bw3 s PHE 51 CO 0.20 -0.97 0.00 0.00 -0.05 0.00 0.00 175.22 174.40 1bw3 n GLY 53 N 0.00 1.99 0.27 0.00 0.00 -1.26 -3.61 105.19 102.58 1bw3 n GLY 53 Ca 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.18 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 0.00 -2.12 1.61 0.13 -2.00 -3.29 132.00 126.34 1bw3 h PRO 54 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1bw3 h PRO 54 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 1bw3 h PRO 54 CO 0.00 0.06 -0.94 0.00 -0.23 0.00 0.00 178.00 176.89 1bw3 n ALA 55 N -2.38 3.28 -2.97 -0.56 0.00 -1.26 -4.97 120.51 111.65 1bw3 n ALA 55 Ca -0.03 -4.01 -0.14 0.00 0.00 0.00 0.00 53.44 49.27 1bw3 n ALA 55 Cb 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.03 2.66 3.55 0.00 0.00 -1.24 -4.68 105.19 105.51 1bw3 n GLY 56 Ca 0.28 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.50 2.83 -0.47 1.61 0.04 -1.26 -4.10 135.00 131.15 1bw3 s PRO 57 Ca 0.34 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.75 1bw3 s PRO 57 Cb 0.39 -4.31 0.18 0.00 0.04 0.00 0.00 34.50 30.80 1bw3 s PRO 57 CO -0.04 -2.52 0.61 0.50 0.04 0.00 0.00 177.00 175.60 1bw3 s ARG 58 N 6.57 0.96 0.00 4.56 6.06 -1.26 -5.08 118.95 130.76 1bw3 s ARG 58 Ca 0.56 -1.06 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 1bw3 s ARG 58 Cb -0.11 -0.31 0.00 0.00 0.06 0.00 0.00 34.95 34.60 1bw3 s ARG 58 CO 0.19 -1.30 0.00 0.41 -2.50 0.00 0.00 175.30 172.10 1bw3 n GLY 59 N 3.33 0.09 0.34 8.12 0.00 -1.26 -4.45 105.19 111.37 1bw3 n GLY 59 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.03 -0.92 1.61 4.20 -2.00 0.27 115.11 118.24 1bw3 h GLN 60 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1bw3 h GLN 60 Cb 0.00 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.69 1bw3 h GLN 60 CO 0.00 -0.02 0.21 0.00 -0.67 0.00 0.00 178.83 178.35 1bw3 n ALA 61 N -3.41 3.74 -0.22 3.87 0.00 -1.26 -3.91 120.51 119.33 1bw3 n ALA 61 Ca 0.11 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1bw3 n ALA 61 Cb 0.42 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.09 1.86 1.46 0.00 0.00 0.95 -4.77 120.51 119.91 1bw3 n ALA 62 Ca 0.24 -0.66 0.07 0.00 0.00 0.00 0.00 53.44 53.09 1bw3 n ALA 62 Cb 0.96 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.84 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 0.37 1.40 3.39 0.00 0.00 -1.26 -4.94 105.19 104.14 1bw3 n GLY 64 Ca 0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.76 1.44 0.31 1.61 3.01 -1.21 -4.83 119.74 119.31 1bw3 s LYS 65 Ca 0.15 -1.68 0.10 0.00 -1.01 0.00 0.00 55.97 53.53 1bw3 s LYS 65 Cb 0.29 -1.17 -0.05 0.00 -1.01 0.00 0.00 37.83 35.88 1bw3 s LYS 65 CO -0.08 0.13 -0.10 0.00 0.51 0.00 0.00 175.35 175.82 1bw3 s LEU 67 N -3.61 1.62 -0.07 0.00 0.20 1.00 -0.05 118.68 117.77 1bw3 s LEU 67 Ca 0.32 -0.43 -0.16 0.00 0.69 0.00 0.00 54.13 54.55 1bw3 s LEU 67 Cb -0.02 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.62 1bw3 s LEU 67 CO 0.17 -0.03 0.42 -0.60 -0.29 0.00 0.00 176.35 176.02 1bw3 s ARG 68 N 1.29 4.16 -0.02 1.98 3.52 0.06 0.05 118.95 129.98 1bw3 s ARG 68 Ca -0.00 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.05 1bw3 s ARG 68 Cb -0.14 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1bw3 s ARG 68 CO -0.06 0.40 -0.22 0.08 -0.81 0.00 0.00 175.30 174.69 1bw3 s VAL 69 N -0.12 1.74 0.07 7.11 1.01 0.45 -0.73 120.40 129.92 1bw3 s VAL 69 Ca 0.24 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1bw3 s VAL 69 Cb -0.16 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1bw3 s VAL 69 CO 0.11 0.49 -0.20 -0.89 0.00 0.00 0.00 175.10 174.61 1bw3 s THR 70 N -0.41 1.62 -0.52 3.92 2.01 -0.17 -0.55 115.64 121.53 1bw3 s THR 70 Ca 0.06 -1.32 0.03 0.00 0.31 0.00 0.00 61.69 60.76 1bw3 s THR 70 Cb -0.09 -1.44 0.13 0.00 0.01 0.00 0.00 72.50 71.11 1bw3 s THR 70 CO 0.00 0.07 0.27 0.21 -0.69 0.00 0.00 174.62 174.48 1bw3 s ASN 71 N -1.48 4.48 0.29 3.53 2.47 0.11 -2.31 114.94 122.04 1bw3 s ASN 71 Ca 0.06 -2.94 -0.00 0.00 0.42 0.00 0.00 52.86 50.40 1bw3 s ASN 71 Cb -0.09 -1.67 0.66 0.00 -1.45 0.00 0.00 41.25 38.70 1bw3 s ASN 71 CO 0.03 -0.26 1.60 1.55 -3.72 0.00 0.00 177.10 176.30 1bw3 h PRO 72 N 6.64 0.07 -0.76 0.43 0.13 -1.85 0.16 132.00 136.81 1bw3 h PRO 72 Ca -0.07 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.22 1bw3 h PRO 72 Cb 0.91 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.88 1bw3 h PRO 72 CO 0.68 0.04 -0.17 0.00 -0.23 0.00 0.00 178.00 178.33 1bw3 n ALA 73 N -3.01 0.21 -0.04 -0.56 0.00 -1.26 -2.59 120.51 113.25 1bw3 n ALA 73 Ca 0.20 0.83 -0.05 0.00 0.00 0.00 0.00 53.44 54.43 1bw3 n ALA 73 Cb 0.67 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 -5.22 0.58 0.00 0.00 -2.24 -0.22 -4.99 114.28 102.20 1bw3 n THR 74 Ca 0.13 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1bw3 n THR 74 Cb 0.40 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.61 0.47 3.78 3.38 0.00 0.40 -5.06 105.19 110.76 1bw3 n GLY 75 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 2.51 0.08 4.61 0.00 -1.25 -4.69 121.76 121.01 1bw3 s ALA 76 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1bw3 s ALA 76 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1bw3 s ALA 76 CO 0.00 -1.25 0.26 1.14 0.00 0.00 0.00 175.76 175.91 1bw3 s GLN 77 N -4.28 0.86 0.24 0.00 1.03 -1.26 0.09 119.66 116.35 1bw3 s GLN 77 Ca 0.65 -0.74 -0.12 0.00 0.04 0.00 0.00 55.36 55.19 1bw3 s GLN 77 Cb -0.19 0.36 -0.01 0.00 0.03 0.00 0.00 33.01 33.21 1bw3 s GLN 77 CO 0.44 -0.28 0.46 -1.50 -2.54 0.00 0.00 175.29 171.86 1bw3 s ILE 78 N -3.31 0.00 -0.13 3.63 1.10 0.28 -5.00 121.20 117.78 1bw3 s ILE 78 Ca 0.00 -1.45 0.01 0.00 -0.51 0.00 0.00 60.65 58.70 1bw3 s ILE 78 Cb 0.02 -2.23 0.02 0.00 0.15 0.00 0.00 42.46 40.42 1bw3 s ILE 78 CO -0.08 0.00 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.73 1bw3 s THR 79 N -4.02 1.43 0.46 4.00 2.01 -1.26 -0.41 115.64 117.84 1bw3 s THR 79 Ca 0.24 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1bw3 s THR 79 Cb -0.00 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1bw3 s THR 79 CO 0.09 0.43 0.37 0.00 -0.69 0.00 0.00 174.62 174.83 1bw3 s ALA 80 N 1.38 4.12 0.10 7.40 0.00 0.11 -4.08 121.76 130.79 1bw3 s ALA 80 Ca 0.01 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.25 1bw3 s ALA 80 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1bw3 s ALA 80 CO -0.07 -0.31 0.12 0.50 0.00 0.00 0.00 175.76 176.00 1bw3 s ARG 81 N -4.16 3.00 -0.18 0.00 3.52 0.22 -0.00 118.95 121.34 1bw3 s ARG 81 Ca 0.43 -0.69 -0.20 0.00 -0.13 0.00 0.00 55.73 55.15 1bw3 s ARG 81 Cb -0.02 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1bw3 s ARG 81 CO 0.25 0.55 0.58 0.42 -0.81 0.00 0.00 175.30 176.30 1bw3 s ILE 82 N -1.50 5.07 0.00 4.11 1.01 -0.79 0.05 121.20 129.14 1bw3 s ILE 82 Ca 0.31 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1bw3 s ILE 82 Cb -0.12 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1bw3 s ILE 82 CO 0.24 0.16 0.00 0.52 0.00 0.00 0.00 174.94 175.86 1bw3 n VAL 83 N 4.49 0.00 -3.46 2.92 0.31 -0.00 -4.65 118.33 117.94 1bw3 n VAL 83 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1bw3 n VAL 83 Cb 0.50 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 -2.55 1.85 -1.66 4.52 2.03 -1.19 -2.59 116.55 116.95 1bw3 n ASP 84 Ca 0.00 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1bw3 n ASP 84 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1bw3 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw3 n GLN 85 N -0.04 1.35 -3.01 -0.67 10.64 -1.26 -0.51 117.38 123.89 1bw3 n GLN 85 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 1bw3 n GLN 85 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1bw3 n GLN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1bw3 h ALA 87 N 3.94 2.08 0.00 0.00 0.00 -1.98 -0.41 119.26 122.90 1bw3 h ALA 87 Ca 0.25 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1bw3 h ALA 87 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1bw3 h ALA 87 CO 0.99 -0.83 -1.90 0.27 0.00 0.00 0.00 179.25 177.78 1bw3 n ASN 88 N -3.29 1.93 0.00 0.00 6.94 -1.26 -5.02 115.26 114.55 1bw3 n ASN 88 Ca 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1bw3 n ASN 88 Cb 0.78 0.66 0.00 0.00 -2.36 0.00 0.00 39.78 38.86 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 2.27 1.61 0.00 4.83 0.00 -0.16 -5.12 105.19 108.62 1bw3 n GLY 89 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.72 1.63 -0.02 0.00 -1.26 -4.90 105.19 102.36 1bw3 n GLY 90 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 0.42 -0.03 0.99 4.32 -1.26 -4.86 117.00 116.58 1bw3 n LEU 91 Ca 0.00 0.39 -0.04 0.00 -0.02 0.00 0.00 56.01 56.34 1bw3 n LEU 91 Cb 0.00 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.34 1bw3 n LEU 91 CO 0.00 -0.38 -0.70 -0.90 -1.22 0.00 0.00 177.39 174.19 1bw3 n ASP 92 N 3.18 3.53 -1.21 -1.43 5.75 -1.26 -4.61 116.55 120.49 1bw3 n ASP 92 Ca 0.24 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1bw3 n ASP 92 Cb -0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1bw3 n LEU 93 N -2.66 1.57 0.00 -2.12 4.32 -1.26 -4.13 117.00 112.72 1bw3 n LEU 93 Ca -0.11 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 1bw3 n LEU 93 Cb 0.62 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1bw3 n LEU 93 CO 0.06 0.28 0.00 0.47 -1.22 0.00 0.00 177.39 176.98 1bw3 n ASP 94 N 1.05 0.00 0.00 -1.43 8.00 -1.26 -4.70 116.55 118.21 1bw3 n ASP 94 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bw3 n ASP 94 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.00 0.00 1.24 -0.00 -1.26 -4.06 117.44 113.36 1bw3 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw3 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 1.10 3.65 0.00 5.87 5.68 -1.26 -4.50 116.55 127.09 1bw3 n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1bw3 n ASP 96 Cb 0.00 0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bw3 n THR 97 N -1.19 0.00 0.00 2.12 -2.24 -1.26 -4.67 114.28 107.05 1bw3 n THR 97 Ca 0.00 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1bw3 n THR 97 Cb 0.07 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.13 0.00 0.00 2.28 0.31 -1.26 -4.33 118.33 114.20 1bw3 n VAL 98 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1bw3 n VAL 98 Cb 0.00 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 -1.22 0.00 -0.15 3.52 7.35 -1.26 -0.70 117.46 125.01 1bw3 n PHE 99 Ca 0.00 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.96 1bw3 n PHE 99 Cb 0.00 -0.28 0.56 0.00 0.35 0.00 0.00 39.48 40.11 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 0.12 0.00 -2.13 1.35 -1.85 -0.38 112.91 110.02 1bw3 h THR 100 Ca 0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.48 1bw3 h THR 100 Cb 0.00 0.22 -0.07 0.00 -1.73 0.00 0.00 68.15 66.57 1bw3 h THR 100 CO 0.00 0.00 -2.39 0.29 -0.25 0.00 0.00 175.52 173.17 1bw3 n LYS 101 N -3.45 0.67 0.00 4.72 5.02 0.13 -4.31 118.16 120.95 1bw3 n LYS 101 Ca 0.20 0.08 0.15 0.00 -2.02 0.00 0.00 58.31 56.71 1bw3 n LYS 101 Cb 1.27 -1.54 0.73 0.00 -0.02 0.00 0.00 35.03 35.47 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1bw3 n ILE 102 N -3.01 0.00 -2.24 -0.18 -5.35 -0.27 -4.25 119.36 104.07 1bw3 n ILE 102 Ca -0.38 -0.06 -0.39 0.00 -0.27 0.00 0.00 62.75 61.65 1bw3 n ILE 102 Cb 1.08 -0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.80 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 -0.87 7.28 -0.37 7.28 9.92 -0.50 -4.78 116.55 134.51 1bw3 n ASP 103 Ca 0.18 -3.78 0.33 0.00 -0.53 0.00 0.00 54.79 51.00 1bw3 n ASP 103 Cb 0.23 -1.07 0.60 0.00 -0.64 0.00 0.00 41.12 40.24 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 2.13 0.07 0.11 -3.53 1.35 -1.86 -1.88 112.91 109.31 1bw3 h THR 104 Ca 0.54 -0.02 -0.34 0.00 -0.55 0.00 0.00 66.41 66.04 1bw3 h THR 104 Cb 0.18 -0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.58 1bw3 h THR 104 CO 1.30 0.01 -1.81 -0.55 -0.25 0.00 0.00 175.52 174.23 1bw3 h ASN 105 N 0.07 0.38 0.00 5.36 7.08 -1.97 -3.49 115.58 123.01 1bw3 h ASN 105 Ca 0.83 -0.88 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 1bw3 h ASN 105 Cb 2.32 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 38.44 1bw3 h ASN 105 CO -0.63 1.78 0.00 0.61 -2.08 0.00 0.00 177.43 177.11 1bw3 n GLY 106 N 1.87 0.77 0.32 9.14 0.00 -0.71 -5.00 105.19 111.59 1bw3 n GLY 106 Ca -0.30 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.13 0.47 -0.61 1.08 -1.95 -1.59 117.51 115.04 1bw3 h ILE 107 Ca 0.00 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1bw3 h ILE 107 Cb 0.00 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1bw3 h ILE 107 CO 0.00 0.01 -0.23 1.23 -0.69 0.00 0.00 178.15 178.47 1bw3 h GLY 108 N 0.04 -0.66 -0.73 5.37 0.00 -1.93 -2.42 103.07 102.75 1bw3 h GLY 108 Ca 0.52 0.25 0.30 0.00 0.00 0.00 0.00 47.33 48.39 1bw3 h GLY 108 CO -0.85 -0.24 0.28 -1.82 0.00 0.00 0.00 176.54 173.91 1bw3 h TYR 109 N -0.73 0.41 0.00 5.60 5.03 -1.70 0.45 116.97 126.02 1bw3 h TYR 109 Ca -0.06 0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.13 1bw3 h TYR 109 Cb 0.49 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1bw3 h TYR 109 CO 0.08 -0.33 -0.82 0.37 -1.32 0.00 0.00 178.16 176.15 1bw3 h GLN 110 N 0.12 0.00 0.00 1.82 4.15 -1.36 -3.36 115.11 116.48 1bw3 h GLN 110 Ca 0.65 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.98 1bw3 h GLN 110 Cb 1.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1bw3 h GLN 110 CO -0.75 0.82 -0.54 0.37 -1.93 0.00 0.00 178.83 176.79 1bw3 h GLN 111 N 0.00 0.00 0.00 1.69 4.15 -0.13 -3.50 115.11 117.32 1bw3 h GLN 111 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1bw3 h GLN 111 Cb 1.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1bw3 h GLN 111 CO 0.11 0.91 0.00 0.41 -1.93 0.00 0.00 178.83 178.33 1bw3 n GLY 112 N 1.55 3.79 3.49 2.39 0.00 0.13 -5.09 105.19 111.43 1bw3 n GLY 112 Ca -0.19 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 2.23 0.11 1.61 -3.43 -1.26 -4.09 115.29 110.45 1bw3 s HIS 113 Ca 0.00 -0.50 -0.05 0.00 -0.80 0.00 0.00 55.06 53.71 1bw3 s HIS 113 Cb 0.00 -1.18 -0.02 0.00 -1.43 0.00 0.00 32.58 29.95 1bw3 s HIS 113 CO 0.00 0.54 0.13 -1.17 -2.00 0.00 0.00 174.74 172.24 1bw3 s LEU 114 N -3.53 1.64 -0.34 5.38 2.96 0.17 -4.76 118.68 120.20 1bw3 s LEU 114 Ca 0.30 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 1bw3 s LEU 114 Cb 0.00 0.71 0.03 0.00 0.50 0.00 0.00 46.19 47.44 1bw3 s LEU 114 CO 0.14 -0.74 0.12 0.21 -1.32 0.00 0.00 176.35 174.77 1bw3 s ASN 115 N -2.94 5.38 0.34 3.68 3.84 -1.26 -0.26 114.94 123.71 1bw3 s ASN 115 Ca 0.13 -1.08 0.04 0.00 0.21 0.00 0.00 52.86 52.16 1bw3 s ASN 115 Cb 0.06 -1.90 -0.07 0.00 -0.55 0.00 0.00 41.25 38.79 1bw3 s ASN 115 CO -0.05 -0.33 0.05 0.68 -2.79 0.00 0.00 177.10 174.66 1bw3 s VAL 116 N 1.44 1.32 0.09 -5.21 -7.23 -0.98 -4.57 120.40 105.25 1bw3 s VAL 116 Ca -0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1bw3 s VAL 116 Cb -0.19 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1bw3 s VAL 116 CO 0.03 -0.01 -0.12 0.20 -0.31 0.00 0.00 175.10 174.89 1bw3 s ASN 117 N -3.52 1.67 0.11 4.85 0.01 -0.98 -2.10 114.94 114.98 1bw3 s ASN 117 Ca 0.36 -0.74 -0.13 0.00 -0.71 0.00 0.00 52.86 51.64 1bw3 s ASN 117 Cb 0.09 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.74 1bw3 s ASN 117 CO 0.16 -0.16 0.32 -0.72 -1.51 0.00 0.00 177.10 175.18 1bw3 s TYR 118 N -1.93 -0.06 -0.04 2.20 -0.85 0.06 -1.00 117.35 115.73 1bw3 s TYR 118 Ca 0.03 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1bw3 s TYR 118 Cb -0.06 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.43 1bw3 s TYR 118 CO 0.02 -0.64 0.09 -0.65 -1.52 0.00 0.00 175.55 172.85 1bw3 s GLN 119 N -3.83 0.08 0.42 -3.49 -1.52 0.09 -1.53 119.66 109.89 1bw3 s GLN 119 Ca 0.04 0.19 -0.26 0.00 -1.95 0.00 0.00 55.36 53.38 1bw3 s GLN 119 Cb 0.03 -0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.68 1bw3 s GLN 119 CO -0.12 -0.07 1.35 -0.06 -0.25 0.00 0.00 175.29 176.14 1bw3 s PHE 120 N 0.47 2.71 0.30 0.91 0.40 -1.20 -0.76 117.98 120.81 1bw3 s PHE 120 Ca -0.04 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1bw3 s PHE 120 Cb -0.05 -3.76 -0.02 0.00 0.51 0.00 0.00 43.02 39.70 1bw3 s PHE 120 CO -0.02 -2.38 0.34 0.08 0.70 0.00 0.00 175.22 173.95 1bw3 s VAL 121 N -1.23 0.00 0.40 -0.44 1.01 0.93 -4.76 120.40 116.30 1bw3 s VAL 121 Ca 0.58 -1.79 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1bw3 s VAL 121 Cb -0.40 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1bw3 s VAL 121 CO 0.52 0.00 0.68 -1.81 0.00 0.00 0.00 175.10 174.49 1bw3 s ASP 122 N -3.25 6.35 -0.20 3.32 1.11 -1.26 -1.47 116.67 121.26 1bw3 s ASP 122 Ca 0.35 0.80 -0.20 0.00 0.18 0.00 0.00 52.55 53.68 1bw3 s ASP 122 Cb 0.02 -2.19 -0.18 0.00 1.07 0.00 0.00 42.92 41.65 1bw3 s ASP 122 CO 0.20 -0.41 0.18 0.00 1.18 0.00 0.00 175.17 176.32 1bw3 n ARG 124 N -4.45 -1.48 0.00 0.00 5.12 -1.26 -5.07 116.66 109.52 1bw3 n ARG 124 Ca -0.30 1.01 0.16 0.00 -1.93 0.00 0.00 57.85 56.79 1bw3 n ARG 124 Cb 0.64 -4.74 0.92 0.00 -1.16 0.00 0.00 32.46 28.12 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23