#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 0.73 -0.01 3.49 -0.21 -1.26 -0.54 119.66 121.86 1bw4 s GLN 2 Ca 0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 55.36 54.95 1bw4 s GLN 2 Cb 0.00 -1.88 0.01 0.00 1.00 0.00 0.00 33.01 32.13 1bw4 s GLN 2 CO 0.00 -0.55 0.19 0.00 -2.12 0.00 0.00 175.29 172.81 1bw4 s ALA 3 N 1.85 -0.47 0.21 6.09 0.00 -0.83 -5.04 121.76 123.57 1bw4 s ALA 3 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1bw4 s ALA 3 Cb -0.16 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1bw4 s ALA 3 CO -0.07 -0.21 -0.03 0.54 0.00 0.00 0.00 175.76 175.99 1bw4 s ASN 4 N -1.19 1.84 -1.36 0.00 2.20 -1.26 -2.39 114.94 112.77 1bw4 s ASN 4 Ca -0.13 -1.17 -0.14 0.00 -0.94 0.00 0.00 52.86 50.48 1bw4 s ASN 4 Cb -0.06 0.00 0.02 0.00 -2.00 0.00 0.00 41.25 39.21 1bw4 s ASN 4 CO 0.02 -0.47 0.26 0.47 -2.94 0.00 0.00 177.10 174.45 1bw4 n ASP 5 N -0.37 -1.03 -4.74 3.54 8.00 -1.24 -4.89 116.55 115.82 1bw4 n ASP 5 Ca -0.06 -1.24 -0.35 0.00 0.71 0.00 0.00 54.79 53.84 1bw4 n ASP 5 Cb 0.63 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.13 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw4 s VAL 6 N -4.04 5.26 -1.12 2.53 1.01 -1.10 -4.93 120.40 118.01 1bw4 s VAL 6 Ca 0.19 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 1bw4 s VAL 6 Cb -0.11 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1bw4 s VAL 6 CO 0.95 0.49 1.80 -0.13 0.00 0.00 0.00 175.10 178.22 1bw4 s ARG 7 N -0.01 3.09 0.03 2.72 0.52 -1.26 -1.92 118.95 122.11 1bw4 s ARG 7 Ca 0.09 -1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 53.85 1bw4 s ARG 7 Cb -0.12 -5.30 -0.05 0.00 0.52 0.00 0.00 34.95 30.01 1bw4 s ARG 7 CO -0.00 -3.10 0.84 0.00 0.02 0.00 0.00 175.30 173.07 1bw4 s ALA 8 N 8.00 3.29 0.94 2.13 0.00 0.24 -4.87 121.76 131.49 1bw4 s ALA 8 Ca 0.61 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1bw4 s ALA 8 Cb -0.01 -3.13 0.18 0.00 0.00 0.00 0.00 23.12 20.17 1bw4 s ALA 8 CO 0.05 -0.05 1.11 0.25 0.00 0.00 0.00 175.76 177.12 1bw4 n THR 9 N 3.19 0.00 -3.11 0.00 -2.24 -1.26 -0.95 114.28 109.91 1bw4 n THR 9 Ca 0.01 -0.98 -0.17 0.00 -2.27 0.00 0.00 64.05 60.64 1bw4 n THR 9 Cb 0.50 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 1bw4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw4 n TYR 10 N -3.42 -0.41 -3.02 4.78 4.11 -0.39 -4.54 117.16 114.27 1bw4 n TYR 10 Ca 0.15 -3.50 -0.44 0.00 -0.00 0.00 0.00 57.90 54.11 1bw4 n TYR 10 Cb 0.51 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.34 39.74 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N -1.81 3.03 -1.03 -3.48 2.46 -0.34 -4.83 115.29 109.30 1bw4 s HIS 11 Ca 0.37 -1.10 -0.18 0.00 0.47 0.00 0.00 55.06 54.62 1bw4 s HIS 11 Cb 0.31 -4.15 0.13 0.00 -0.13 0.00 0.00 32.58 28.75 1bw4 s HIS 11 CO -0.08 -1.41 1.27 1.52 -2.47 0.00 0.00 174.74 173.57 1bw4 s TYR 12 N 2.76 3.13 0.84 3.88 -0.85 -1.23 -2.86 117.35 123.03 1bw4 s TYR 12 Ca 0.21 -1.53 -0.11 0.00 -0.52 0.00 0.00 57.07 55.13 1bw4 s TYR 12 Cb -0.15 -4.36 0.10 0.00 0.38 0.00 0.00 41.96 37.93 1bw4 s TYR 12 CO 0.01 -1.53 1.10 -0.47 -1.52 0.00 0.00 175.55 173.14 1bw4 s TYR 13 N 2.74 2.23 -0.19 -3.49 5.04 0.14 -4.24 117.35 119.58 1bw4 s TYR 13 Ca 0.38 1.57 -0.11 0.00 -2.44 0.00 0.00 57.07 56.46 1bw4 s TYR 13 Cb -0.03 -3.15 -0.05 0.00 0.35 0.00 0.00 41.96 39.08 1bw4 s TYR 13 CO -0.06 -2.23 0.19 -0.98 -1.34 0.00 0.00 175.55 171.12 1bw4 s ARG 14 N -4.82 4.21 0.00 4.97 3.03 -1.26 -0.77 118.95 124.31 1bw4 s ARG 14 Ca 0.63 -0.11 0.00 0.00 2.03 0.00 0.00 55.73 58.28 1bw4 s ARG 14 Cb -0.19 -3.43 0.00 0.00 -1.03 0.00 0.00 34.95 30.30 1bw4 s ARG 14 CO 0.57 0.27 0.00 -0.35 -1.13 0.00 0.00 175.30 174.66 1bw4 n PRO 15 N 3.56 0.00 -0.23 3.89 -0.04 -1.26 -4.78 135.00 136.15 1bw4 n PRO 15 Ca -0.15 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1bw4 n PRO 15 Cb 0.52 -0.21 0.17 0.00 -0.04 0.00 0.00 33.50 33.94 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 16 N -1.54 0.30 -0.33 0.55 0.00 -1.26 -0.15 120.51 118.08 1bw4 n ALA 16 Ca 0.00 0.71 0.21 0.00 0.00 0.00 0.00 53.44 54.36 1bw4 n ALA 16 Cb 0.00 -0.50 0.41 0.00 0.00 0.00 0.00 19.45 19.37 1bw4 n ALA 16 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1bw4 h GLN 17 N 0.00 0.06 -0.63 0.00 1.08 -2.00 0.45 115.11 114.07 1bw4 h GLN 17 Ca 0.38 -0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 57.22 1bw4 h GLN 17 Cb 0.75 -0.01 -0.21 0.00 -0.05 0.00 0.00 27.48 27.96 1bw4 h GLN 17 CO -0.63 0.04 0.15 -1.71 -0.95 0.00 0.00 178.83 175.73 1bw4 n ASN 18 N -5.34 3.54 -1.86 1.46 2.85 0.79 -4.93 115.26 111.78 1bw4 n ASN 18 Ca 0.29 -3.75 -0.03 0.00 -0.11 0.00 0.00 54.58 50.98 1bw4 n ASN 18 Cb 0.96 -0.70 -0.01 0.00 1.24 0.00 0.00 39.78 41.27 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw4 n ASN 19 N -1.08 -1.28 -2.07 1.20 2.85 0.16 0.06 115.26 115.10 1bw4 n ASN 19 Ca 0.45 0.27 -0.15 0.00 -0.11 0.00 0.00 54.58 55.03 1bw4 n ASN 19 Cb 1.16 -1.36 -0.03 0.00 1.24 0.00 0.00 39.78 40.80 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -2.03 -0.92 -1.77 1.20 7.02 -1.20 -4.77 117.44 114.97 1bw4 n TRP 20 Ca -0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.11 1bw4 n TRP 20 Cb 0.33 -3.02 -0.03 0.00 -2.42 0.00 0.00 31.31 26.17 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N -1.45 7.35 0.32 -0.99 -0.08 0.11 -4.16 116.55 117.65 1bw4 n ASP 21 Ca -0.17 -3.16 0.04 0.00 -1.51 0.00 0.00 54.79 49.99 1bw4 n ASP 21 Cb 0.59 -1.31 0.22 0.00 2.34 0.00 0.00 41.12 42.96 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1bw4 h LEU 22 N 4.87 0.00 -1.44 -2.67 3.38 -1.86 0.31 115.31 117.90 1bw4 h LEU 22 Ca 0.57 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.75 1bw4 h LEU 22 Cb 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1bw4 h LEU 22 CO 1.21 0.00 0.62 1.23 0.09 0.00 0.00 178.44 181.58 1bw4 h GLY 23 N 0.00 1.00 -7.09 0.83 0.00 -1.88 -2.19 103.07 93.74 1bw4 h GLY 23 Ca 0.00 -0.21 -0.57 0.00 0.00 0.00 0.00 47.33 46.55 1bw4 h GLY 23 CO 0.00 -0.03 1.61 0.00 0.00 0.00 0.00 176.54 178.12 1bw4 n ALA 24 N -2.50 0.46 -0.20 3.60 0.00 0.11 -4.65 120.51 117.33 1bw4 n ALA 24 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1bw4 n ALA 24 Cb 0.72 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.78 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 8.34 -0.13 0.29 0.00 -0.02 -1.26 -0.36 135.00 141.87 1bw4 n PRO 25 Ca 0.56 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.89 1bw4 n PRO 25 Cb 0.12 -1.21 0.17 0.00 -0.02 0.00 0.00 33.50 32.56 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 26 N 0.71 1.75 0.00 3.55 0.00 -1.90 -2.92 119.26 120.45 1bw4 h ALA 26 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bw4 h ALA 26 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bw4 h ALA 26 CO -0.53 -0.75 -0.22 0.28 0.00 0.00 0.00 179.25 178.04 1bw4 n VAL 27 N -2.41 1.18 -2.75 0.00 0.31 0.52 -5.08 118.33 110.11 1bw4 n VAL 27 Ca -0.00 0.32 -0.19 0.00 -0.01 0.00 0.00 64.34 64.46 1bw4 n VAL 27 Cb 0.81 -1.71 0.01 0.00 -0.91 0.00 0.00 33.84 32.04 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.62 -2.95 -4.91 4.52 3.41 -0.82 -4.96 113.62 104.28 1bw4 n SER 28 Ca -0.03 -0.28 -0.27 0.00 -0.26 0.00 0.00 58.87 58.03 1bw4 n SER 28 Cb 0.11 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.15 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -1.50 3.48 0.07 7.33 0.00 -1.26 -4.99 121.76 124.88 1bw4 s ALA 29 Ca 0.13 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1bw4 s ALA 29 Cb -0.01 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1bw4 s ALA 29 CO 0.50 -0.21 0.94 0.66 0.00 0.00 0.00 175.76 177.65 1bw4 n TYR 30 N -1.99 -0.20 -0.17 0.00 4.02 -1.26 -0.72 117.16 116.83 1bw4 n TYR 30 Ca -0.01 0.57 0.06 0.00 -0.01 0.00 0.00 57.90 58.52 1bw4 n TYR 30 Cb 0.55 -0.48 0.28 0.00 -0.02 0.00 0.00 39.34 39.67 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bw4 h ALA 32 N 3.66 -0.37 -0.02 0.00 0.00 -1.25 0.72 119.26 122.01 1bw4 h ALA 32 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bw4 h ALA 32 Cb 1.30 1.19 -0.00 0.00 0.00 0.00 0.00 17.79 20.29 1bw4 h ALA 32 CO 0.24 -0.87 0.48 1.15 0.00 0.00 0.00 179.25 180.26 1bw4 h THR 33 N -0.08 0.01 0.00 0.00 2.02 -1.80 1.00 112.91 114.06 1bw4 h THR 33 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1bw4 h THR 33 Cb 0.50 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1bw4 h THR 33 CO -0.87 0.00 -0.51 0.79 0.37 0.00 0.00 175.52 175.30 1bw4 n TRP 34 N -2.83 0.00 0.01 3.16 8.01 0.15 -4.75 117.44 121.20 1bw4 n TRP 34 Ca -0.01 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.16 1bw4 n TRP 34 Cb 0.53 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.31 29.79 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -1.27 1.01 -0.14 -0.99 9.92 0.20 -4.36 116.55 120.92 1bw4 n ASP 35 Ca 0.00 0.14 0.23 0.00 -0.53 0.00 0.00 54.79 54.63 1bw4 n ASP 35 Cb 0.09 -0.38 0.35 0.00 -0.64 0.00 0.00 41.12 40.54 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 n ALA 36 N -3.45 0.81 -0.09 2.24 0.00 0.33 0.16 120.51 120.50 1bw4 n ALA 36 Ca -0.03 0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1bw4 n ALA 36 Cb 0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 1bw4 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw4 h SER 37 N 0.00 0.04 -2.04 0.00 4.64 -1.85 -3.45 113.55 110.90 1bw4 h SER 37 Ca 0.40 -0.55 -0.62 0.00 -0.47 0.00 0.00 61.79 60.54 1bw4 h SER 37 Cb 2.59 -0.01 0.11 0.00 -0.31 0.00 0.00 62.40 64.78 1bw4 h SER 37 CO -0.00 1.52 -0.10 0.29 -0.87 0.00 0.00 176.83 177.67 1bw4 n LYS 38 N -4.35 0.91 -1.43 4.77 5.02 0.42 -4.88 118.16 118.60 1bw4 n LYS 38 Ca -0.32 0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1bw4 n LYS 38 Cb 0.71 -1.58 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 1bw4 n LYS 38 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bw4 n PRO 39 N 0.79 0.53 0.02 1.97 -0.04 -1.26 -4.80 135.00 132.21 1bw4 n PRO 39 Ca 0.12 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1bw4 n PRO 39 Cb 0.30 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N 0.07 -0.40 -0.81 1.53 -0.00 -1.96 -3.11 115.31 110.63 1bw4 h LEU 40 Ca -0.46 0.07 0.08 0.00 -0.00 0.00 0.00 57.88 57.57 1bw4 h LEU 40 Cb 1.37 0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 42.11 1bw4 h LEU 40 CO 0.46 -0.18 -0.45 -1.20 -0.00 0.00 0.00 178.44 177.08 1bw4 n SER 41 N -5.27 -0.79 0.32 -0.43 7.64 -1.26 -1.38 113.62 112.45 1bw4 n SER 41 Ca -0.04 1.44 -0.17 0.00 1.01 0.00 0.00 58.87 61.11 1bw4 n SER 41 Cb 0.19 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw4 h TRP 42 N 0.00 -0.73 -0.82 1.43 7.01 -1.91 0.27 115.95 121.20 1bw4 h TRP 42 Ca 0.16 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.25 1bw4 h TRP 42 Cb 0.37 0.24 -0.12 0.00 -2.10 0.00 0.00 29.16 27.55 1bw4 h TRP 42 CO -0.81 -0.45 -0.39 0.54 -2.79 0.00 0.00 178.44 174.53 1bw4 n ARG 43 N -5.43 -0.27 -0.01 2.65 1.74 -0.48 -1.75 116.66 113.11 1bw4 n ARG 43 Ca -0.13 1.25 -0.16 0.00 -0.77 0.00 0.00 57.85 58.04 1bw4 n ARG 43 Cb 0.32 -1.85 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 1bw4 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1bw4 h SER 44 N 0.00 0.29 -0.50 0.55 4.64 -1.40 -3.37 113.55 113.76 1bw4 h SER 44 Ca 0.22 -0.86 0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1bw4 h SER 44 Cb 0.42 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 1bw4 h SER 44 CO -0.80 1.12 -0.19 1.17 -0.87 0.00 0.00 176.83 177.26 1bw4 n LYS 45 N -4.39 -0.11 -3.30 4.77 4.81 0.93 -4.40 118.16 116.47 1bw4 n LYS 45 Ca -0.11 0.77 -0.19 0.00 -0.87 0.00 0.00 58.31 57.92 1bw4 n LYS 45 Cb 0.60 -1.15 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1bw4 s TYR 46 N -5.50 2.80 1.17 5.64 2.02 -1.15 -5.09 117.35 117.25 1bw4 s TYR 46 Ca -0.07 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 1bw4 s TYR 46 Cb 0.11 -2.23 0.27 0.00 -0.40 0.00 0.00 41.96 39.71 1bw4 s TYR 46 CO 0.36 -0.24 1.13 0.20 -1.57 0.00 0.00 175.55 175.44 1bw4 s GLY 47 N -4.23 1.60 -0.07 0.71 0.00 -1.26 -4.92 107.32 99.16 1bw4 s GLY 47 Ca 0.51 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 1bw4 s GLY 47 CO 0.31 -0.10 0.01 0.86 0.00 0.00 0.00 173.10 174.18 1bw4 s TRP 48 N -3.11 0.60 -0.40 1.90 -0.11 -1.26 -3.74 118.94 112.82 1bw4 s TRP 48 Ca 0.71 -0.12 0.02 0.00 1.22 0.00 0.00 56.10 57.93 1bw4 s TRP 48 Cb -0.09 -0.76 0.12 0.00 -1.50 0.00 0.00 33.47 31.23 1bw4 s TRP 48 CO 0.56 -0.31 0.17 0.95 -4.62 0.00 0.00 176.95 173.70 1bw4 s THR 49 N 1.99 1.54 -0.39 5.86 -4.23 -0.95 -2.36 115.64 117.10 1bw4 s THR 49 Ca 0.05 -2.29 -0.29 0.00 -1.18 0.00 0.00 61.69 57.98 1bw4 s THR 49 Cb -0.12 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1bw4 s THR 49 CO -0.05 -0.78 1.10 0.00 -0.54 0.00 0.00 174.62 174.36 1bw4 s ALA 50 N 0.72 3.35 0.14 3.99 0.00 -1.24 -2.55 121.76 126.18 1bw4 s ALA 50 Ca 0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 1bw4 s ALA 50 Cb -0.22 -3.77 -0.07 0.00 0.00 0.00 0.00 23.12 19.06 1bw4 s ALA 50 CO -0.08 -1.81 0.59 0.12 0.00 0.00 0.00 175.76 174.58 1bw4 s PHE 51 N 3.99 3.66 -0.39 0.00 2.19 0.93 0.06 117.98 128.42 1bw4 s PHE 51 Ca 0.46 1.17 0.11 0.00 0.33 0.00 0.00 56.93 59.01 1bw4 s PHE 51 Cb -0.10 -2.45 0.34 0.00 -1.31 0.00 0.00 43.02 39.51 1bw4 s PHE 51 CO 0.22 0.45 0.74 0.00 1.83 0.00 0.00 175.22 178.46 1bw4 s GLY 53 N -2.47 1.05 0.01 0.00 0.00 -1.26 -3.74 107.32 100.92 1bw4 s GLY 53 Ca 0.41 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1bw4 s GLY 53 CO -0.09 -1.28 1.08 -0.56 0.00 0.00 0.00 173.10 172.26 1bw4 h PRO 54 N 3.73 -0.13 -2.89 2.90 0.13 -1.99 -3.16 132.00 130.59 1bw4 h PRO 54 Ca -0.41 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 63.99 1bw4 h PRO 54 Cb 1.19 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1bw4 h PRO 54 CO 0.47 -0.09 2.32 0.00 -0.23 0.00 0.00 178.00 180.48 1bw4 n ALA 55 N -2.37 6.39 -0.47 -0.56 0.00 -1.26 -4.40 120.51 117.84 1bw4 n ALA 55 Ca -0.02 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1bw4 n ALA 55 Cb 0.06 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1bw4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw4 n GLY 56 N 2.08 -0.06 3.70 0.00 0.00 -1.19 -2.37 105.19 107.35 1bw4 n GLY 56 Ca 0.56 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw4 n PRO 57 N -1.80 1.35 -2.41 1.61 -0.04 -1.26 -4.01 135.00 128.44 1bw4 n PRO 57 Ca 0.00 0.49 -0.28 0.00 -0.04 0.00 0.00 63.50 63.67 1bw4 n PRO 57 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1bw4 n PRO 57 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw4 n ARG 58 N 5.50 3.37 0.00 0.54 0.63 -1.26 -4.95 116.66 120.49 1bw4 n ARG 58 Ca 0.25 -4.40 0.00 0.00 -0.92 0.00 0.00 57.85 52.78 1bw4 n ARG 58 Cb 0.16 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.82 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bw4 n GLY 59 N -0.50 0.10 0.43 5.14 0.00 -1.26 -1.87 105.19 107.24 1bw4 n GLY 59 Ca 0.41 -0.61 0.26 0.00 0.00 0.00 0.00 46.02 46.07 1bw4 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw4 h GLN 60 N 0.00 0.28 0.00 1.61 4.20 -2.02 0.17 115.11 119.35 1bw4 h GLN 60 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1bw4 h GLN 60 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1bw4 h GLN 60 CO 0.00 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1bw4 n ALA 61 N -2.54 1.77 -0.09 3.87 0.00 -1.12 -2.02 120.51 120.38 1bw4 n ALA 61 Ca 0.25 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 61 Cb 0.95 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N -1.01 1.15 0.65 0.00 0.00 0.58 -4.26 120.51 117.62 1bw4 n ALA 62 Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 53.44 52.65 1bw4 n ALA 62 Cb 0.03 -0.28 0.17 0.00 0.00 0.00 0.00 19.45 19.36 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N -0.27 1.96 3.42 0.00 0.00 -1.25 -4.78 105.19 104.27 1bw4 n GLY 64 Ca 0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N -0.91 1.57 0.52 1.61 -0.14 0.55 -4.80 119.74 118.14 1bw4 s LYS 65 Ca 0.14 -1.84 0.03 0.00 -1.36 0.00 0.00 55.97 52.94 1bw4 s LYS 65 Cb 0.08 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.34 1bw4 s LYS 65 CO 0.11 -0.12 0.14 0.00 -0.76 0.00 0.00 175.35 174.72 1bw4 s LEU 67 N -4.02 1.51 -0.23 0.00 0.20 0.10 -1.48 118.68 114.76 1bw4 s LEU 67 Ca 0.16 -0.18 -0.14 0.00 0.69 0.00 0.00 54.13 54.66 1bw4 s LEU 67 Cb 0.00 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 1bw4 s LEU 67 CO 0.09 -0.01 0.31 -0.60 -0.29 0.00 0.00 176.35 175.86 1bw4 s ARG 68 N 0.70 4.09 -0.07 1.98 3.52 0.07 -1.69 118.95 127.55 1bw4 s ARG 68 Ca -0.11 -0.00 0.05 0.00 -0.13 0.00 0.00 55.73 55.54 1bw4 s ARG 68 Cb -0.14 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 1bw4 s ARG 68 CO 0.01 -0.07 -0.24 0.08 -0.81 0.00 0.00 175.30 174.26 1bw4 s VAL 69 N 1.44 2.04 0.01 7.11 1.01 -0.86 -1.91 120.40 129.23 1bw4 s VAL 69 Ca 0.14 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1bw4 s VAL 69 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1bw4 s VAL 69 CO 0.08 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.74 1bw4 s THR 70 N -0.00 0.88 -0.69 3.92 2.01 -0.88 -0.98 115.64 119.90 1bw4 s THR 70 Ca -0.08 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1bw4 s THR 70 Cb -0.15 -0.76 0.17 0.00 0.01 0.00 0.00 72.50 71.77 1bw4 s THR 70 CO 0.05 0.15 0.51 0.21 -0.69 0.00 0.00 174.62 174.86 1bw4 s ASN 71 N -0.52 5.39 0.17 3.53 2.47 0.88 -1.77 114.94 125.10 1bw4 s ASN 71 Ca 0.03 -3.05 -0.25 0.00 0.42 0.00 0.00 52.86 50.00 1bw4 s ASN 71 Cb -0.05 -1.87 0.04 0.00 -1.45 0.00 0.00 41.25 37.92 1bw4 s ASN 71 CO 0.00 -0.33 1.57 -0.65 -3.72 0.00 0.00 177.10 173.98 1bw4 h PRO 72 N 6.80 -0.24 -1.64 0.43 0.11 -1.85 0.23 132.00 135.83 1bw4 h PRO 72 Ca 0.03 0.02 0.48 0.00 0.11 0.00 0.00 66.00 66.63 1bw4 h PRO 72 Cb 0.92 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 1bw4 h PRO 72 CO 0.74 -0.16 1.18 0.00 -0.21 0.00 0.00 178.00 179.55 1bw4 n ALA 73 N -3.12 1.58 -0.00 -0.75 0.00 -1.26 -1.65 120.51 115.31 1bw4 n ALA 73 Ca 0.01 0.56 -0.00 0.00 0.00 0.00 0.00 53.44 54.01 1bw4 n ALA 73 Cb 0.35 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 1bw4 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw4 n THR 74 N -3.64 0.02 -0.10 0.00 -2.24 0.51 -5.02 114.28 103.81 1bw4 n THR 74 Ca 0.37 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1bw4 n THR 74 Cb 1.68 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 3.25 0.63 3.86 3.38 0.00 0.41 -5.07 105.19 111.65 1bw4 n GLY 75 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.16 3.39 0.04 4.61 0.00 -1.24 -4.82 121.76 121.58 1bw4 s ALA 76 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 1bw4 s ALA 76 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1bw4 s ALA 76 CO 0.00 0.26 0.11 1.14 0.00 0.00 0.00 175.76 177.27 1bw4 s GLN 77 N -3.24 0.60 0.08 0.00 1.03 -1.26 -0.08 119.66 116.78 1bw4 s GLN 77 Ca 0.51 -0.73 0.02 0.00 0.04 0.00 0.00 55.36 55.21 1bw4 s GLN 77 Cb -0.10 0.24 -0.04 0.00 0.03 0.00 0.00 33.01 33.13 1bw4 s GLN 77 CO 0.23 -0.15 -0.08 -1.50 -2.54 0.00 0.00 175.29 171.25 1bw4 s ILE 78 N -2.56 0.70 -0.30 3.63 1.10 -0.15 -5.00 121.20 118.62 1bw4 s ILE 78 Ca -0.05 -1.67 -0.03 0.00 -0.51 0.00 0.00 60.65 58.39 1bw4 s ILE 78 Cb -0.01 -1.36 0.04 0.00 0.15 0.00 0.00 42.46 41.28 1bw4 s ILE 78 CO -0.04 -0.69 0.02 -0.89 -2.11 0.00 0.00 174.94 171.22 1bw4 s THR 79 N -2.85 3.17 0.38 4.00 2.01 -1.26 -2.02 115.64 119.07 1bw4 s THR 79 Ca 0.05 -1.26 0.08 0.00 0.31 0.00 0.00 61.69 60.87 1bw4 s THR 79 Cb -0.00 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1bw4 s THR 79 CO -0.03 -0.08 0.38 0.00 -0.69 0.00 0.00 174.62 174.21 1bw4 s ALA 80 N 1.30 4.06 -0.13 7.40 0.00 -0.68 -4.25 121.76 129.46 1bw4 s ALA 80 Ca -0.04 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.20 1bw4 s ALA 80 Cb -0.19 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1bw4 s ALA 80 CO -0.01 -0.12 -0.11 0.50 0.00 0.00 0.00 175.76 176.02 1bw4 s ARG 81 N -4.11 3.45 -0.20 0.00 3.52 -1.25 -0.72 118.95 119.64 1bw4 s ARG 81 Ca 0.46 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 55.14 1bw4 s ARG 81 Cb -0.06 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1bw4 s ARG 81 CO 0.28 0.23 0.94 0.42 -0.81 0.00 0.00 175.30 176.36 1bw4 s ILE 82 N 0.34 4.78 0.00 4.11 1.01 -0.93 -2.24 121.20 128.27 1bw4 s ILE 82 Ca -0.09 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1bw4 s ILE 82 Cb -0.15 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1bw4 s ILE 82 CO 0.05 -0.08 0.00 0.52 0.00 0.00 0.00 174.94 175.43 1bw4 n VAL 83 N 5.04 0.00 -4.26 2.92 0.31 -1.06 -4.33 118.33 116.96 1bw4 n VAL 83 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.14 1bw4 n VAL 83 Cb 0.47 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.06 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw4 s ASP 84 N -4.99 4.38 -0.35 4.52 2.15 -1.20 -3.63 116.67 117.54 1bw4 s ASP 84 Ca 0.00 -0.49 0.03 0.00 0.43 0.00 0.00 52.55 52.52 1bw4 s ASP 84 Cb 0.00 -0.80 0.10 0.00 -0.30 0.00 0.00 42.92 41.92 1bw4 s ASP 84 CO 0.00 0.12 0.08 -1.10 -0.17 0.00 0.00 175.17 174.10 1bw4 s GLN 85 N -2.66 1.57 0.52 4.34 -1.52 -1.26 -0.05 119.66 120.61 1bw4 s GLN 85 Ca 0.24 -1.88 0.02 0.00 -1.95 0.00 0.00 55.36 51.79 1bw4 s GLN 85 Cb -0.10 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 1bw4 s GLN 85 CO 0.15 -0.96 0.11 0.00 -0.25 0.00 0.00 175.29 174.34 1bw4 n ALA 87 N -1.41 2.90 -1.07 0.00 0.00 -1.26 -4.17 120.51 115.49 1bw4 n ALA 87 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1bw4 n ALA 87 Cb 0.66 0.26 -0.14 0.00 0.00 0.00 0.00 19.45 20.23 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N -2.68 5.81 -0.55 0.00 2.04 -1.26 -4.77 115.26 113.85 1bw4 n ASN 88 Ca 0.00 -2.52 0.00 0.00 -0.44 0.00 0.00 54.58 51.62 1bw4 n ASN 88 Cb 0.26 -1.43 0.00 0.00 -2.53 0.00 0.00 39.78 36.08 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 89 N 2.59 5.25 1.39 4.83 0.00 -1.26 -5.07 105.19 112.92 1bw4 n GLY 89 Ca 0.48 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.83 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 1.65 2.18 0.00 -0.02 0.00 -1.18 -4.76 105.19 103.05 1bw4 n GLY 90 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.01 0.00 -3.51 0.99 0.00 -1.25 -1.19 117.00 112.05 1bw4 n LEU 91 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.99 1bw4 n LEU 91 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.39 1bw4 n LEU 91 CO -0.02 0.00 0.59 1.51 0.00 0.00 0.00 177.39 179.47 1bw4 s ASP 92 N -1.79 -0.49 -0.62 1.96 1.47 -1.14 -2.86 116.67 113.21 1bw4 s ASP 92 Ca 0.00 0.30 0.06 0.00 1.18 0.00 0.00 52.55 54.09 1bw4 s ASP 92 Cb 0.00 0.45 0.26 0.00 -0.34 0.00 0.00 42.92 43.29 1bw4 s ASP 92 CO 0.00 -0.61 0.77 -0.11 0.68 0.00 0.00 175.17 175.90 1bw4 n LEU 93 N 0.30 3.70 0.00 2.11 -0.00 0.11 0.25 117.00 123.47 1bw4 n LEU 93 Ca -0.14 -5.45 0.00 0.00 -0.00 0.00 0.00 56.01 50.43 1bw4 n LEU 93 Cb 0.60 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1bw4 n LEU 93 CO 0.16 2.10 0.00 -0.90 -0.00 0.00 0.00 177.39 178.75 1bw4 n ASP 94 N 0.71 0.00 0.00 1.96 5.75 0.05 -3.59 116.55 121.43 1bw4 n ASP 94 Ca 0.30 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1bw4 n ASP 94 Cb 0.41 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1bw4 n TRP 95 N -1.40 0.00 0.00 2.11 -0.00 -0.85 -3.59 117.44 113.71 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 1.59 0.34 -0.07 5.87 5.75 -1.26 -4.50 116.55 124.27 1bw4 n ASP 96 Ca 0.00 -0.37 -0.05 0.00 -0.01 0.00 0.00 54.79 54.37 1bw4 n ASP 96 Cb 0.00 0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 40.87 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bw4 h THR 97 N 0.00 0.05 0.00 2.12 1.35 -1.84 -3.41 112.91 111.17 1bw4 h THR 97 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1bw4 h THR 97 Cb 0.00 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 1bw4 h THR 97 CO 0.00 0.02 0.00 0.52 -0.25 0.00 0.00 175.52 175.81 1bw4 n VAL 98 N -4.63 0.00 0.01 6.82 0.31 -1.26 -4.53 118.33 115.05 1bw4 n VAL 98 Ca -0.07 0.47 -0.00 0.00 -0.01 0.00 0.00 64.34 64.72 1bw4 n VAL 98 Cb 0.25 -1.44 -0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw4 h PHE 99 N 0.00 -0.02 -0.49 3.52 3.57 -1.92 -2.86 116.94 118.73 1bw4 h PHE 99 Ca 0.00 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.70 1bw4 h PHE 99 Cb 0.00 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1bw4 h PHE 99 CO 0.00 -0.01 0.27 0.25 -2.23 0.00 0.00 178.31 176.59 1bw4 n THR 100 N -2.06 -0.19 0.06 4.41 -2.24 -1.26 0.29 114.28 113.29 1bw4 n THR 100 Ca -0.00 0.96 -0.13 0.00 -2.27 0.00 0.00 64.05 62.61 1bw4 n THR 100 Cb 0.01 -1.56 -0.13 0.00 -2.10 0.00 0.00 70.33 66.54 1bw4 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw4 h LYS 101 N 0.00 0.15 -0.00 -0.78 1.79 -1.78 -3.34 116.57 112.61 1bw4 h LYS 101 Ca 0.41 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1bw4 h LYS 101 Cb 1.10 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1bw4 h LYS 101 CO -0.35 1.03 -0.33 0.44 -1.08 0.00 0.00 179.45 179.15 1bw4 n ILE 102 N -3.39 0.00 -1.25 1.86 -5.35 0.15 -4.42 119.36 106.95 1bw4 n ILE 102 Ca -0.10 -0.03 -0.33 0.00 -0.27 0.00 0.00 62.75 62.02 1bw4 n ILE 102 Cb 1.01 0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 38.98 1bw4 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw4 n ASP 103 N -1.27 8.03 -0.12 7.28 8.00 -0.87 -4.70 116.55 132.91 1bw4 n ASP 103 Ca 0.08 -2.55 -0.05 0.00 0.71 0.00 0.00 54.79 52.98 1bw4 n ASP 103 Cb 0.33 -1.53 0.02 0.00 -0.02 0.00 0.00 41.12 39.92 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1bw4 h THR 104 N 2.79 0.58 0.00 -3.53 1.35 -1.86 -3.33 112.91 108.91 1bw4 h THR 104 Ca 0.73 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 66.23 1bw4 h THR 104 Cb 0.54 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 1bw4 h THR 104 CO 1.46 0.00 -2.14 -0.46 -0.25 0.00 0.00 175.52 174.13 1bw4 n ASN 105 N -5.31 1.94 0.00 5.36 6.94 -1.26 -5.10 115.26 117.83 1bw4 n ASN 105 Ca 0.02 0.36 0.00 0.00 -0.02 0.00 0.00 54.58 54.94 1bw4 n ASN 105 Cb 0.23 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 1.31 1.00 0.26 4.83 0.00 -1.25 -5.04 105.19 106.30 1bw4 n GLY 106 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N -0.61 -0.40 0.01 -0.61 2.08 -1.26 0.78 119.36 119.35 1bw4 n ILE 107 Ca 0.00 1.55 -0.10 0.00 0.56 0.00 0.00 62.75 64.76 1bw4 n ILE 107 Cb 0.00 -1.96 -0.03 0.00 -0.75 0.00 0.00 39.64 36.90 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 -0.09 -0.44 7.39 0.00 -1.97 -0.70 103.07 107.27 1bw4 h GLY 108 Ca 0.15 0.18 0.30 0.00 0.00 0.00 0.00 47.33 47.95 1bw4 h GLY 108 CO -0.62 -0.15 0.54 -1.82 0.00 0.00 0.00 176.54 174.50 1bw4 h TYR 109 N -0.19 0.89 -0.50 5.60 5.03 0.03 0.31 116.97 128.14 1bw4 h TYR 109 Ca 0.09 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1bw4 h TYR 109 Cb 0.31 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.36 1bw4 h TYR 109 CO -0.25 -0.13 0.00 0.94 -1.32 0.00 0.00 178.16 177.40 1bw4 n GLN 110 N -5.03 3.62 0.00 1.82 -0.06 -0.63 -4.53 117.38 112.57 1bw4 n GLN 110 Ca 0.30 -2.81 0.00 0.00 -2.00 0.00 0.00 57.00 52.49 1bw4 n GLN 110 Cb 0.91 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1bw4 n GLN 111 N 0.55 0.00 0.00 3.69 7.27 0.85 -5.05 117.38 124.70 1bw4 n GLN 111 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1bw4 n GLN 111 Cb 0.88 -0.93 0.00 0.00 2.41 0.00 0.00 30.24 32.60 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 3.30 0.70 3.58 1.69 0.00 0.10 -5.05 105.19 109.51 1bw4 n GLY 112 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -0.75 -0.37 0.34 1.61 0.00 -1.26 -3.90 115.29 110.96 1bw4 s HIS 113 Ca 0.00 0.11 0.05 0.00 -3.00 0.00 0.00 55.06 52.22 1bw4 s HIS 113 Cb 0.00 0.60 -0.02 0.00 -4.00 0.00 0.00 32.58 29.16 1bw4 s HIS 113 CO 0.00 -0.88 0.35 -1.17 -1.00 0.00 0.00 174.74 172.04 1bw4 s LEU 114 N -2.76 1.56 -0.15 5.38 2.96 -0.12 -4.61 118.68 120.94 1bw4 s LEU 114 Ca 0.05 -1.71 0.02 0.00 -0.22 0.00 0.00 54.13 52.28 1bw4 s LEU 114 Cb -0.02 0.86 0.01 0.00 0.50 0.00 0.00 46.19 47.53 1bw4 s LEU 114 CO -0.06 -1.16 -0.21 0.21 -1.32 0.00 0.00 176.35 173.82 1bw4 s ASN 115 N -3.35 3.18 0.31 3.68 3.84 -1.26 0.81 114.94 122.16 1bw4 s ASN 115 Ca 0.38 -0.59 0.04 0.00 0.21 0.00 0.00 52.86 52.89 1bw4 s ASN 115 Cb 0.01 -1.46 -0.04 0.00 -0.55 0.00 0.00 41.25 39.21 1bw4 s ASN 115 CO 0.26 0.07 0.18 0.68 -2.79 0.00 0.00 177.10 175.50 1bw4 s VAL 116 N 0.87 0.28 -0.07 -5.21 -7.23 -0.81 -4.53 120.40 103.70 1bw4 s VAL 116 Ca -0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1bw4 s VAL 116 Cb -0.15 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1bw4 s VAL 116 CO -0.03 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.78 1bw4 s ASN 117 N -3.39 3.62 -0.06 4.85 0.01 -0.73 -2.69 114.94 116.55 1bw4 s ASN 117 Ca 0.35 -0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1bw4 s ASN 117 Cb 0.04 -1.05 0.03 0.00 0.41 0.00 0.00 41.25 40.69 1bw4 s ASN 117 CO 0.19 0.26 0.14 -0.72 -1.51 0.00 0.00 177.10 175.45 1bw4 s TYR 118 N -0.20 -0.16 -0.04 2.20 -0.85 -1.01 -2.06 117.35 115.23 1bw4 s TYR 118 Ca -0.01 0.45 0.02 0.00 -0.52 0.00 0.00 57.07 57.01 1bw4 s TYR 118 Cb -0.13 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.17 1bw4 s TYR 118 CO 0.03 -0.14 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.19 1bw4 s GLN 119 N 0.88 1.07 0.31 -3.49 -1.52 -0.80 -1.97 119.66 114.13 1bw4 s GLN 119 Ca -0.07 -0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 52.80 1bw4 s GLN 119 Cb -0.09 -0.98 -0.10 0.00 -0.22 0.00 0.00 33.01 31.62 1bw4 s GLN 119 CO -0.04 0.03 1.37 -0.06 -0.25 0.00 0.00 175.29 176.33 1bw4 s PHE 120 N 0.53 2.98 0.05 0.91 0.40 0.30 -0.75 117.98 122.39 1bw4 s PHE 120 Ca -0.09 1.28 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1bw4 s PHE 120 Cb -0.12 -3.77 -0.04 0.00 0.51 0.00 0.00 43.02 39.61 1bw4 s PHE 120 CO 0.01 -2.23 -0.03 0.08 0.70 0.00 0.00 175.22 173.75 1bw4 s VAL 121 N -0.83 0.21 0.34 -0.44 1.01 -0.55 -4.80 120.40 115.35 1bw4 s VAL 121 Ca 0.52 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1bw4 s VAL 121 Cb -0.41 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 1bw4 s VAL 121 CO 0.52 -0.96 0.65 -1.81 0.00 0.00 0.00 175.10 173.50 1bw4 s ASP 122 N -2.81 6.50 -0.08 3.32 1.11 -1.26 -0.44 116.67 123.01 1bw4 s ASP 122 Ca 0.05 0.93 -0.16 0.00 0.18 0.00 0.00 52.55 53.55 1bw4 s ASP 122 Cb 0.07 -2.23 -0.13 0.00 1.07 0.00 0.00 42.92 41.69 1bw4 s ASP 122 CO -0.09 -0.28 0.58 0.00 1.18 0.00 0.00 175.17 176.56 1bw4 n ARG 124 N -4.83 -2.44 0.00 0.00 0.00 -1.26 -5.07 116.66 103.05 1bw4 n ARG 124 Ca -0.06 0.63 0.15 0.00 -0.00 0.00 0.00 57.85 58.57 1bw4 n ARG 124 Cb 0.23 -4.74 0.73 0.00 0.00 0.00 0.00 32.46 28.68 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16