#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5x s GLU 2 N 0.00 4.15 0.44 2.12 -1.05 -1.26 -4.97 118.70 118.12 2k5x s GLU 2 Ca 0.00 2.54 -0.26 0.00 -0.15 0.00 0.00 54.97 57.11 2k5x s GLU 2 Cb 0.00 -3.07 -0.08 0.00 -0.44 0.00 0.00 34.13 30.54 2k5x s GLU 2 CO 0.00 -0.66 1.39 0.45 0.95 0.00 0.00 175.26 177.39 2k5x s SER 3 N 0.84 6.02 0.00 0.83 0.15 -1.26 -4.88 113.70 115.39 2k5x s SER 3 Ca 0.68 2.84 0.00 0.00 0.70 0.00 0.00 55.95 60.17 2k5x s SER 3 Cb -0.48 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 61.20 2k5x s SER 3 CO 0.39 -1.07 0.30 2.29 1.20 0.00 0.00 173.24 176.35 2k5x n LYS 4 N -0.09 0.28 0.13 5.44 2.85 -1.26 -2.46 118.16 123.05 2k5x n LYS 4 Ca 0.05 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.43 2k5x n LYS 4 Cb 0.42 -1.01 0.37 0.00 -0.65 0.00 0.00 35.03 34.16 2k5x n LYS 4 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2k5x h ARG 5 N 0.00 0.00 -3.29 -1.58 0.11 -2.02 -3.35 114.38 104.24 2k5x h ARG 5 Ca 0.00 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.41 2k5x h ARG 5 Cb 0.00 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.70 2k5x h ARG 5 CO 0.00 0.00 -0.34 1.21 0.10 0.00 0.00 179.97 180.94 2k5x s ASN 6 N -4.83 5.35 -0.13 0.08 2.47 -1.03 -1.86 114.94 115.00 2k5x s ASN 6 Ca 0.10 -3.55 -0.31 0.00 0.42 0.00 0.00 52.86 49.51 2k5x s ASN 6 Cb 0.11 -1.79 0.13 0.00 -1.45 0.00 0.00 41.25 38.24 2k5x s ASN 6 CO 0.60 -0.19 1.05 -0.75 -3.72 0.00 0.00 177.10 174.09 2k5x s LYS 7 N -1.06 0.54 0.46 0.43 2.20 -1.26 -4.98 119.74 116.07 2k5x s LYS 7 Ca 0.24 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.54 2k5x s LYS 7 Cb -0.10 0.25 -0.09 0.00 -1.51 0.00 0.00 37.83 36.38 2k5x s LYS 7 CO -0.11 -0.21 1.02 -2.14 -0.36 0.00 0.00 175.35 173.55 2k5x s PRO 8 N -2.18 3.94 0.02 4.03 0.02 -1.15 -3.96 135.00 135.71 2k5x s PRO 8 Ca 0.05 1.33 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 2k5x s PRO 8 Cb -0.01 -2.17 0.10 0.00 0.02 0.00 0.00 34.50 32.44 2k5x s PRO 8 CO -0.05 -0.31 1.24 0.20 -0.33 0.00 0.00 177.00 177.76 2k5x s GLY 9 N -1.97 -0.12 -0.18 0.52 0.00 0.24 -4.98 107.32 100.82 2k5x s GLY 9 Ca 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 2k5x s GLY 9 CO 0.19 4.32 0.02 0.54 0.00 0.00 0.00 173.10 178.18 2k5x s LYS 10 N -2.11 3.80 -0.04 2.90 1.02 -1.26 -0.76 119.74 123.29 2k5x s LYS 10 Ca 0.26 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 2k5x s LYS 10 Cb -0.00 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2k5x s LYS 10 CO -0.00 0.20 1.37 0.00 -0.92 0.00 0.00 175.35 176.00 2k5x s ALA 11 N 0.52 3.58 0.01 5.17 0.00 -0.95 -4.86 121.76 125.25 2k5x s ALA 11 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2k5x s ALA 11 Cb -0.13 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2k5x s ALA 11 CO 0.02 -0.97 -0.25 0.95 0.00 0.00 0.00 175.76 175.50 2k5x s THR 12 N 2.69 2.02 -0.09 0.00 -4.23 -1.03 -1.55 115.64 113.45 2k5x s THR 12 Ca 0.62 -1.22 -0.32 0.00 -1.18 0.00 0.00 61.69 59.59 2k5x s THR 12 Cb -0.29 -1.71 0.14 0.00 1.34 0.00 0.00 72.50 71.98 2k5x s THR 12 CO 0.24 0.45 1.42 -0.83 -0.54 0.00 0.00 174.62 175.36 2k5x s GLY 13 N -0.91 -0.45 0.05 3.99 0.00 -1.26 0.16 107.32 108.90 2k5x s GLY 13 Ca 0.10 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 2k5x s GLY 13 CO 0.01 1.22 -0.02 1.17 0.00 0.00 0.00 173.10 175.48 2k5x n LYS 14 N -0.57 0.03 0.00 2.90 4.81 -1.26 -4.93 118.16 119.13 2k5x n LYS 14 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2k5x n LYS 14 Cb 0.63 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.29 2k5x n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5x n GLY 15 N 3.35 2.00 3.75 3.14 0.00 -1.26 -4.42 105.19 111.75 2k5x n GLY 15 Ca -0.01 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2k5x n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5x s LYS 16 N -3.88 4.52 -1.15 1.61 -0.14 -0.59 -4.24 119.74 115.87 2k5x s LYS 16 Ca 0.00 1.10 -0.23 0.00 -1.36 0.00 0.00 55.97 55.48 2k5x s LYS 16 Cb 0.00 -3.34 -0.09 0.00 -1.68 0.00 0.00 37.83 32.71 2k5x s LYS 16 CO 0.00 0.33 1.95 -2.14 -0.76 0.00 0.00 175.35 174.73 2k5x s PRO 17 N -0.26 2.41 0.88 -1.68 0.02 -1.26 -1.38 135.00 133.73 2k5x s PRO 17 Ca 0.38 -1.04 -0.10 0.00 0.02 0.00 0.00 61.00 60.27 2k5x s PRO 17 Cb -0.21 -5.21 0.19 0.00 0.02 0.00 0.00 34.50 29.29 2k5x s PRO 17 CO 0.24 -4.04 1.20 1.33 -0.33 0.00 0.00 177.00 175.40 2k5x n VAL 18 N 7.90 0.00 -4.38 3.83 0.24 -1.26 -5.07 118.33 119.59 2k5x n VAL 18 Ca 0.44 -1.25 -0.19 0.00 -2.04 0.00 0.00 64.34 61.31 2k5x n VAL 18 Cb 0.47 -1.24 -0.10 0.00 -1.47 0.00 0.00 33.84 31.49 2k5x n VAL 18 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2k5x s GLY 19 N -5.59 1.73 0.47 7.63 0.00 -1.26 -5.05 107.32 105.25 2k5x s GLY 19 Ca 0.72 -1.86 0.27 0.00 0.00 0.00 0.00 44.72 43.85 2k5x s GLY 19 CO 0.49 -1.74 1.81 1.29 0.00 0.00 0.00 173.10 174.96 2k5x h ASP 20 N 2.35 0.00 -0.30 1.64 2.03 -1.96 -0.62 116.42 119.55 2k5x h ASP 20 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2k5x h ASP 20 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2k5x h ASP 20 CO 0.66 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.16 2k5x n LYS 21 N -2.53 2.10 -0.33 4.15 4.76 -1.26 -4.55 118.16 120.50 2k5x n LYS 21 Ca -0.02 -1.25 0.14 0.00 -2.87 0.00 0.00 58.31 54.32 2k5x n LYS 21 Cb 0.16 -1.46 0.37 0.00 -1.84 0.00 0.00 35.03 32.25 2k5x n LYS 21 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 2k5x h TRP 22 N 1.85 0.94 -0.14 2.13 5.08 -1.51 -1.18 115.95 123.11 2k5x h TRP 22 Ca 0.00 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.96 2k5x h TRP 22 Cb 0.69 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 2k5x h TRP 22 CO 0.31 0.22 -0.10 -0.07 -1.28 0.00 0.00 178.44 177.53 2k5x h LEU 23 N 0.68 0.20 -1.95 0.11 3.38 -1.86 -2.60 115.31 113.27 2k5x h LEU 23 Ca 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2k5x h LEU 23 Cb 0.96 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2k5x h LEU 23 CO -0.32 0.33 0.00 0.44 0.09 0.00 0.00 178.44 178.98 2k5x h ASP 24 N 0.21 0.00 0.10 -0.43 3.32 -1.58 -3.16 116.42 114.89 2k5x h ASP 24 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k5x h ASP 24 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2k5x h ASP 24 CO 0.02 0.00 -0.71 0.47 -1.72 0.00 0.00 179.24 177.29 2k5x n ASP 25 N -2.66 1.18 0.00 6.45 8.00 -0.98 -4.15 116.55 124.39 2k5x n ASP 25 Ca -0.01 -0.99 0.02 0.00 0.71 0.00 0.00 54.79 54.51 2k5x n ASP 25 Cb 0.10 0.66 0.11 0.00 -0.02 0.00 0.00 41.12 41.96 2k5x n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5x n ALA 26 N -1.05 1.65 -1.51 2.24 0.00 -1.20 -0.63 120.51 120.01 2k5x n ALA 26 Ca 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2k5x n ALA 26 Cb 0.37 -1.06 0.20 0.00 0.00 0.00 0.00 19.45 18.96 2k5x n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5x n GLY 27 N -0.71 5.05 3.69 0.00 0.00 -1.26 -2.13 105.19 109.84 2k5x n GLY 27 Ca 0.03 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 2k5x n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5x s LYS 28 N -3.21 3.04 0.09 1.61 1.02 0.20 -4.98 119.74 117.51 2k5x s LYS 28 Ca 0.39 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2k5x s LYS 28 Cb 0.37 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2k5x s LYS 28 CO -0.04 0.69 0.00 -3.47 -0.92 0.00 0.00 175.35 171.61 2k5x n ASP 29 N 2.18 0.00 0.00 2.83 2.03 -1.26 -0.36 116.55 121.98 2k5x n ASP 29 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2k5x n ASP 29 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2k5x n ASP 29 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k5x n SER 30 N 2.78 0.00 0.00 1.67 7.64 -1.26 -5.13 113.62 119.31 2k5x n SER 30 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2k5x n SER 30 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k5x n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k5x n GLY 31 N 0.00 2.41 3.59 0.23 0.00 0.52 -4.89 105.19 107.05 2k5x n GLY 31 Ca 0.00 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 2k5x n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5x s ALA 32 N -2.00 3.55 0.72 4.61 0.00 -0.64 -4.84 121.76 123.15 2k5x s ALA 32 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2k5x s ALA 32 Cb 0.00 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2k5x s ALA 32 CO 0.00 -0.68 1.12 -0.35 0.00 0.00 0.00 175.76 175.85 2k5x n PRO 33 N 5.25 0.62 -1.63 0.00 -0.04 -1.26 -0.06 135.00 137.88 2k5x n PRO 33 Ca -0.10 0.27 -0.50 0.00 -0.04 0.00 0.00 63.50 63.13 2k5x n PRO 33 Cb 0.51 -2.36 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2k5x n PRO 33 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k5x n ILE 34 N -2.49 0.07 -1.98 0.52 5.41 -0.95 -4.79 119.36 115.14 2k5x n ILE 34 Ca 0.14 -0.01 -0.37 0.00 1.00 0.00 0.00 62.75 63.51 2k5x n ILE 34 Cb 0.49 -1.16 0.03 0.00 -0.71 0.00 0.00 39.64 38.29 2k5x n ILE 34 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2k5x s PRO 35 N 1.15 3.17 0.48 0.38 0.02 -1.26 -1.54 135.00 137.39 2k5x s PRO 35 Ca 0.84 1.96 0.21 0.00 0.02 0.00 0.00 61.00 64.03 2k5x s PRO 35 Cb -0.86 -2.13 1.23 0.00 0.02 0.00 0.00 34.50 32.76 2k5x s PRO 35 CO 0.46 -1.08 1.95 0.38 -0.33 0.00 0.00 177.00 178.38 2k5x h ASP 36 N 1.30 0.20 -0.09 2.53 2.03 -1.40 -2.42 116.42 118.57 2k5x h ASP 36 Ca -0.50 0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 55.63 2k5x h ASP 36 Cb 1.29 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2k5x h ASP 36 CO 0.57 0.10 -0.57 0.03 -1.03 0.00 0.00 179.24 178.34 2k5x h ARG 37 N 0.21 0.69 0.07 4.15 3.08 -1.88 0.13 114.38 120.83 2k5x h ARG 37 Ca 0.32 -0.45 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 2k5x h ARG 37 Cb 0.97 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.09 2k5x h ARG 37 CO -0.06 1.07 -0.57 0.82 -1.07 0.00 0.00 179.97 180.15 2k5x h ILE 38 N 0.52 1.55 -0.60 2.04 2.04 -1.84 -3.30 117.51 117.93 2k5x h ILE 38 Ca 0.01 -2.35 0.03 0.00 1.00 0.00 0.00 64.86 63.55 2k5x h ILE 38 Cb 1.15 3.07 -0.03 0.00 -0.74 0.00 0.00 36.82 40.27 2k5x h ILE 38 CO 0.12 0.66 0.39 0.00 0.00 0.00 0.00 178.15 179.32 2k5x h ALA 39 N 0.13 1.68 -0.83 1.87 0.00 -1.20 -0.54 119.26 120.37 2k5x h ALA 39 Ca -0.09 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k5x h ALA 39 Cb 1.40 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2k5x h ALA 39 CO 0.11 0.26 0.55 -0.44 0.00 0.00 0.00 179.25 179.73 2k5x h ASP 40 N 0.71 0.85 0.76 0.00 3.32 -0.81 -2.46 116.42 118.78 2k5x h ASP 40 Ca 0.24 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2k5x h ASP 40 Cb 0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2k5x h ASP 40 CO -0.06 0.56 0.00 0.29 -1.72 0.00 0.00 179.24 178.31 2k5x n LYS 41 N -4.47 0.04 -0.14 3.56 4.76 -0.22 -3.56 118.16 118.12 2k5x n LYS 41 Ca 0.12 0.18 0.05 0.00 -2.87 0.00 0.00 58.31 55.78 2k5x n LYS 41 Cb 0.16 -1.56 0.12 0.00 -1.84 0.00 0.00 35.03 31.91 2k5x n LYS 41 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k5x n LEU 42 N -1.62 2.67 -4.55 -0.35 4.77 -0.93 -4.92 117.00 112.06 2k5x n LEU 42 Ca 0.05 -2.35 -0.34 0.00 -0.03 0.00 0.00 56.01 53.34 2k5x n LEU 42 Cb 0.25 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2k5x n LEU 42 CO 0.20 0.64 1.55 -0.60 -1.33 0.00 0.00 177.39 177.84 2k5x s ARG 43 N -1.61 2.55 -1.23 3.23 3.52 -1.18 -2.46 118.95 121.78 2k5x s ARG 43 Ca 0.20 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 2k5x s ARG 43 Cb 0.14 -4.60 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 2k5x s ARG 43 CO 0.07 -2.99 0.00 -0.25 -0.81 0.00 0.00 175.30 171.32 2k5x n ASP 44 N 13.44 -4.34 -4.76 -2.12 8.00 -0.60 -5.00 116.55 121.17 2k5x n ASP 44 Ca 0.28 0.24 -0.41 0.00 0.71 0.00 0.00 54.79 55.61 2k5x n ASP 44 Cb 0.51 -3.00 -0.02 0.00 -0.02 0.00 0.00 41.12 38.58 2k5x n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k5x s LYS 45 N -3.29 4.36 0.02 -1.24 -0.14 -1.03 -4.74 119.74 113.68 2k5x s LYS 45 Ca 0.00 2.20 -0.30 0.00 -1.36 0.00 0.00 55.97 56.51 2k5x s LYS 45 Cb 0.00 -3.09 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 2k5x s LYS 45 CO 0.00 -0.20 1.19 -2.00 -0.76 0.00 0.00 175.35 173.58 2k5x s GLU 46 N -1.53 4.41 0.18 1.68 2.56 -1.26 -2.23 118.70 122.52 2k5x s GLU 46 Ca 0.50 1.72 0.10 0.00 0.00 0.00 0.00 54.97 57.29 2k5x s GLU 46 Cb -0.39 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.27 2k5x s GLU 46 CO 0.51 -0.31 -0.18 -0.06 -0.56 0.00 0.00 175.26 174.66 2k5x s PHE 47 N 1.44 2.44 -0.14 5.30 0.40 0.06 -4.99 117.98 122.48 2k5x s PHE 47 Ca 0.57 -0.30 0.22 0.00 -0.60 0.00 0.00 56.93 56.82 2k5x s PHE 47 Cb -0.27 -1.21 -0.16 0.00 0.51 0.00 0.00 43.02 41.89 2k5x s PHE 47 CO 0.27 0.50 0.77 1.63 0.70 0.00 0.00 175.22 179.09 2k5x n LYS 48 N 0.22 0.63 -3.80 0.44 5.02 -1.26 -0.59 118.16 118.81 2k5x n LYS 48 Ca -0.12 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 2k5x n LYS 48 Cb 0.56 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2k5x n LYS 48 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k5x s SER 49 N -5.03 -0.28 0.22 4.39 1.04 -1.25 -2.96 113.70 109.83 2k5x s SER 49 Ca -0.04 -0.55 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 2k5x s SER 49 Cb 0.11 0.68 0.20 0.00 0.10 0.00 0.00 66.02 67.11 2k5x s SER 49 CO 0.84 -1.24 1.88 0.15 0.98 0.00 0.00 173.24 175.86 2k5x h PHE 50 N 2.06 1.00 -0.61 5.02 3.57 -1.61 -1.84 116.94 124.53 2k5x h PHE 50 Ca -0.23 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.34 2k5x h PHE 50 Cb 1.26 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 2k5x h PHE 50 CO 0.39 0.61 0.34 0.22 -2.23 0.00 0.00 178.31 177.64 2k5x h ASP 51 N 1.06 0.51 -0.63 0.41 1.82 -1.96 0.13 116.42 117.75 2k5x h ASP 51 Ca 0.31 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.08 2k5x h ASP 51 Cb -0.07 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.82 2k5x h ASP 51 CO -0.08 0.34 0.43 -0.78 -1.61 0.00 0.00 179.24 177.53 2k5x h ASP 52 N 0.65 0.39 0.19 2.28 3.58 -1.91 -1.29 116.42 120.30 2k5x h ASP 52 Ca 0.27 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2k5x h ASP 52 Cb 0.14 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2k5x h ASP 52 CO -0.16 0.23 -0.09 0.15 -2.88 0.00 0.00 179.24 176.49 2k5x h PHE 53 N 0.43 -0.24 -0.60 0.28 3.57 -0.40 -3.28 116.94 116.70 2k5x h PHE 53 Ca 0.30 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.82 2k5x h PHE 53 Cb 0.59 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2k5x h PHE 53 CO -0.00 -0.01 0.36 -0.09 -2.23 0.00 0.00 178.31 176.34 2k5x h ARG 54 N -0.44 0.69 -0.25 1.11 2.43 -0.06 -1.98 114.38 115.87 2k5x h ARG 54 Ca -0.03 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2k5x h ARG 54 Cb 0.34 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2k5x h ARG 54 CO 0.04 0.46 -0.25 0.87 -1.51 0.00 0.00 179.97 179.57 2k5x h LYS 55 N 0.71 -0.13 -0.04 0.20 1.57 -1.37 -2.13 116.57 115.38 2k5x h LYS 55 Ca 0.25 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2k5x h LYS 55 Cb 0.04 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2k5x h LYS 55 CO -0.11 -0.09 -0.50 0.00 -0.57 0.00 0.00 179.45 178.18 2k5x h ALA 56 N -0.64 -0.85 -0.79 3.86 0.00 -1.43 -1.91 119.26 117.50 2k5x h ALA 56 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2k5x h ALA 56 Cb 0.25 0.90 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2k5x h ALA 56 CO -0.31 -1.06 -0.48 0.28 0.00 0.00 0.00 179.25 177.68 2k5x h VAL 57 N -0.62 0.00 -0.80 0.00 2.07 -1.31 0.83 116.25 116.42 2k5x h VAL 57 Ca 0.03 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.74 2k5x h VAL 57 Cb 0.70 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2k5x h VAL 57 CO -0.37 0.00 0.54 -0.50 0.02 0.00 0.00 177.57 177.26 2k5x h TRP 58 N -0.02 0.38 0.01 1.57 -0.00 -1.34 -1.22 115.95 115.33 2k5x h TRP 58 Ca 0.13 0.01 -0.26 0.00 -0.00 0.00 0.00 58.89 58.76 2k5x h TRP 58 Cb 0.35 -0.12 0.02 0.00 -0.00 0.00 0.00 29.16 29.41 2k5x h TRP 58 CO -0.99 0.12 -1.04 0.93 -0.00 0.00 0.00 178.44 177.45 2k5x h GLU 59 N 0.30 0.65 -0.13 0.49 5.08 -0.40 -3.02 114.58 117.56 2k5x h GLU 59 Ca 0.40 -0.72 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 2k5x h GLU 59 Cb 1.11 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2k5x h GLU 59 CO -0.11 1.30 -0.09 0.93 -1.00 0.00 0.00 179.01 180.04 2k5x h GLU 60 N 0.36 0.19 -0.73 2.33 4.39 0.27 -1.33 114.58 120.06 2k5x h GLU 60 Ca -0.13 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.69 2k5x h GLU 60 Cb 1.70 -0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 30.18 2k5x h GLU 60 CO 0.20 0.29 -0.11 0.28 -1.16 0.00 0.00 179.01 178.52 2k5x h VAL 61 N 0.19 0.31 0.00 3.13 2.07 -1.23 0.01 116.25 120.72 2k5x h VAL 61 Ca 0.04 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 2k5x h VAL 61 Cb 0.28 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2k5x h VAL 61 CO 0.02 0.01 -0.43 0.77 0.02 0.00 0.00 177.57 177.95 2k5x h SER 62 N 0.04 0.00 1.32 0.57 4.64 -1.22 -2.41 113.55 116.48 2k5x h SER 62 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2k5x h SER 62 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2k5x h SER 62 CO -0.71 0.43 -0.47 0.11 -0.87 0.00 0.00 176.83 175.33 2k5x h LYS 63 N 0.00 0.00 -5.46 4.77 1.57 -1.05 -3.44 116.57 112.95 2k5x h LYS 63 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 2k5x h LYS 63 Cb 1.22 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.41 2k5x h LYS 63 CO 0.06 0.00 0.11 0.34 -0.57 0.00 0.00 179.45 179.39 2k5x s ASP 64 N -5.19 6.51 0.28 0.86 2.15 -0.03 -4.96 116.67 116.30 2k5x s ASP 64 Ca 0.05 0.57 0.23 0.00 0.43 0.00 0.00 52.55 53.82 2k5x s ASP 64 Cb 0.10 -2.32 1.05 0.00 -0.30 0.00 0.00 42.92 41.45 2k5x s ASP 64 CO 0.71 -0.39 1.69 -2.65 -0.17 0.00 0.00 175.17 174.36 2k5x n PRO 65 N 5.72 0.17 -0.07 4.34 -0.02 -1.26 -2.40 135.00 141.48 2k5x n PRO 65 Ca -0.02 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 2k5x n PRO 65 Cb 0.49 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 2k5x n PRO 65 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k5x n GLU 66 N -2.25 0.68 0.00 -0.52 -0.58 -1.26 -4.19 120.64 112.53 2k5x n GLU 66 Ca 0.01 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.71 2k5x n GLU 66 Cb 0.15 -1.61 -0.09 0.00 -0.57 0.00 0.00 31.44 29.31 2k5x n GLU 66 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k5x h LEU 67 N 0.01 0.80 -0.91 -4.62 3.38 -1.68 -3.02 115.31 109.28 2k5x h LEU 67 Ca -0.48 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 56.80 2k5x h LEU 67 Cb 2.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2k5x h LEU 67 CO 0.02 1.38 0.00 -1.54 0.09 0.00 0.00 178.44 178.39 2k5x n SER 68 N -4.02 1.37 -0.34 -0.43 3.41 -0.91 -4.63 113.62 108.06 2k5x n SER 68 Ca -0.09 -1.64 0.12 0.00 -0.26 0.00 0.00 58.87 57.00 2k5x n SER 68 Cb 0.75 -0.08 0.31 0.00 -0.26 0.00 0.00 64.21 64.93 2k5x n SER 68 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2k5x h LYS 69 N 1.84 0.79 -0.00 4.33 3.64 -1.69 -0.90 116.57 124.57 2k5x h LYS 69 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2k5x h LYS 69 Cb 0.40 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2k5x h LYS 69 CO 0.00 0.52 -0.00 0.09 -2.27 0.00 0.00 179.45 177.78 2k5x n ASN 70 N -4.69 0.34 -4.90 4.20 3.02 -1.26 -4.87 115.26 107.10 2k5x n ASN 70 Ca 0.22 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 53.41 2k5x n ASN 70 Cb 0.51 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 2k5x n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k5x s LEU 71 N -2.04 4.14 0.24 3.41 1.43 -0.34 -5.11 118.68 120.41 2k5x s LEU 71 Ca 0.44 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 2k5x s LEU 71 Cb 0.22 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2k5x s LEU 71 CO 0.37 -0.11 0.41 0.54 0.23 0.00 0.00 176.35 177.79 2k5x s ASN 72 N -2.83 6.34 0.06 2.29 4.22 -1.26 -4.85 114.94 118.91 2k5x s ASN 72 Ca 0.44 0.30 -0.01 0.00 -2.14 0.00 0.00 52.86 51.45 2k5x s ASN 72 Cb -0.11 -1.97 0.11 0.00 1.28 0.00 0.00 41.25 40.57 2k5x s ASN 72 CO 0.27 -0.09 0.32 -2.65 -2.04 0.00 0.00 177.10 172.90 2k5x n PRO 73 N -1.08 -0.02 -0.15 3.55 -0.02 -1.26 -0.36 135.00 135.66 2k5x n PRO 73 Ca -0.06 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 2k5x n PRO 73 Cb 0.55 -0.48 -0.01 0.00 -0.02 0.00 0.00 33.50 33.55 2k5x n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2k5x h SER 74 N 0.00 0.79 0.12 2.55 0.87 -1.99 0.21 113.55 116.10 2k5x h SER 74 Ca 0.11 -0.32 -0.22 0.00 -1.23 0.00 0.00 61.79 60.12 2k5x h SER 74 Cb 0.18 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2k5x h SER 74 CO -0.20 0.92 -0.87 0.78 -0.53 0.00 0.00 176.83 176.93 2k5x h ASN 75 N 0.63 0.71 -0.78 6.23 2.35 -1.09 -2.99 115.58 120.65 2k5x h ASN 75 Ca 0.12 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2k5x h ASN 75 Cb 0.54 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2k5x h ASN 75 CO 0.03 1.30 0.45 0.11 -1.65 0.00 0.00 177.43 177.67 2k5x h LYS 76 N 0.36 1.08 -0.70 0.81 1.57 -0.77 -0.97 116.57 117.95 2k5x h LYS 76 Ca -0.07 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 2k5x h LYS 76 Cb 1.50 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2k5x h LYS 76 CO 0.16 0.77 0.16 0.77 -0.57 0.00 0.00 179.45 180.75 2k5x h SER 77 N 1.09 1.06 -0.10 0.86 0.02 -0.65 -2.91 113.55 112.93 2k5x h SER 77 Ca 0.28 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2k5x h SER 77 Cb -0.00 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.19 2k5x h SER 77 CO -0.05 1.03 -0.36 0.28 -1.14 0.00 0.00 176.83 176.59 2k5x h SER 78 N 1.05 -1.10 -0.78 3.07 0.02 -1.28 -1.74 113.55 112.79 2k5x h SER 78 Ca 0.22 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.36 2k5x h SER 78 Cb 0.38 0.46 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 2k5x h SER 78 CO 0.00 -0.39 0.49 -0.37 -1.14 0.00 0.00 176.83 175.42 2k5x h VAL 79 N -0.45 1.09 0.00 2.27 -1.51 -1.13 0.20 116.25 116.72 2k5x h VAL 79 Ca 0.08 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2k5x h VAL 79 Cb 0.58 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 2k5x h VAL 79 CO -0.35 0.17 0.00 -1.54 -1.23 0.00 0.00 177.57 174.62 2k5x n SER 80 N -4.62 0.00 -1.51 4.19 3.41 -0.93 -1.28 113.62 112.87 2k5x n SER 80 Ca 0.10 -0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 2k5x n SER 80 Cb 0.11 -0.24 0.35 0.00 -0.26 0.00 0.00 64.21 64.16 2k5x n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k5x n LYS 81 N -1.24 3.41 -1.00 4.33 5.02 -0.70 -4.99 118.16 122.99 2k5x n LYS 81 Ca 0.14 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 2k5x n LYS 81 Cb 0.19 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2k5x n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5x n GLY 82 N 1.31 0.52 3.74 0.72 0.00 -0.41 -5.04 105.19 106.02 2k5x n GLY 82 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2k5x n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k5x s TYR 83 N -2.12 3.13 0.07 1.61 2.02 0.02 -3.86 117.35 118.22 2k5x s TYR 83 Ca 0.00 0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.46 2k5x s TYR 83 Cb 0.00 -1.61 -0.08 0.00 -0.40 0.00 0.00 41.96 39.86 2k5x s TYR 83 CO 0.00 0.51 1.68 -1.12 -1.57 0.00 0.00 175.55 175.04 2k5x s SER 84 N -2.21 6.58 1.02 2.29 0.01 -1.26 -3.12 113.70 117.01 2k5x s SER 84 Ca 0.27 2.51 -0.22 0.00 1.31 0.00 0.00 55.95 59.81 2k5x s SER 84 Cb -0.12 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2k5x s SER 84 CO 0.19 -0.90 -0.84 -0.81 0.41 0.00 0.00 173.24 171.29 2k5x n PRO 85 N 5.69 -0.70 -3.75 12.44 -0.04 -1.26 -4.71 135.00 142.67 2k5x n PRO 85 Ca 0.16 -0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 2k5x n PRO 85 Cb 0.40 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2k5x n PRO 85 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k5x n PHE 86 N -3.86 -0.13 -4.42 0.54 3.01 -1.26 -1.57 117.46 109.78 2k5x n PHE 86 Ca -0.01 -2.02 -0.24 0.00 1.01 0.00 0.00 57.45 56.19 2k5x n PHE 86 Cb 0.65 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 2k5x n PHE 86 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2k5x s THR 87 N -2.39 2.75 1.15 4.37 -4.23 -1.11 -4.74 115.64 111.43 2k5x s THR 87 Ca 0.17 -2.26 -0.13 0.00 -1.18 0.00 0.00 61.69 58.29 2k5x s THR 87 Cb -0.01 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.65 2k5x s THR 87 CO 0.11 -0.39 1.04 -2.84 -0.54 0.00 0.00 174.62 172.00 2k5x s PRO 88 N -3.54 -0.80 0.00 3.99 0.02 -1.26 -4.63 135.00 128.78 2k5x s PRO 88 Ca 0.30 0.82 0.19 0.00 0.02 0.00 0.00 61.00 62.34 2k5x s PRO 88 Cb -0.05 -1.57 0.88 0.00 0.02 0.00 0.00 34.50 33.77 2k5x s PRO 88 CO 0.16 -3.64 1.61 1.17 -0.33 0.00 0.00 177.00 175.97 2k5x n LYS 89 N -4.86 0.09 0.00 5.54 3.00 -1.26 -0.59 118.16 120.08 2k5x n LYS 89 Ca 0.03 0.15 0.14 0.00 -0.00 0.00 0.00 58.31 58.63 2k5x n LYS 89 Cb 0.54 -1.50 0.63 0.00 0.00 0.00 0.00 35.03 34.71 2k5x n LYS 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2k5x n ASN 90 N -1.43 0.97 0.00 3.14 6.94 -1.26 -4.58 115.26 119.04 2k5x n ASN 90 Ca 0.06 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 2k5x n ASN 90 Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 2k5x n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k5x n GLN 91 N -0.31 2.82 -2.67 -3.83 1.13 0.24 -4.99 117.38 109.76 2k5x n GLN 91 Ca 0.19 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.82 2k5x n GLN 91 Cb 0.28 -0.69 -0.02 0.00 0.11 0.00 0.00 30.24 29.92 2k5x n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2k5x s GLN 92 N -1.05 4.30 -1.00 -1.09 -0.21 -0.88 -3.41 119.66 116.33 2k5x s GLN 92 Ca 0.00 1.35 -0.04 0.00 0.02 0.00 0.00 55.36 56.69 2k5x s GLN 92 Cb 0.00 -3.61 0.27 0.00 1.00 0.00 0.00 33.01 30.66 2k5x s GLN 92 CO 0.00 -0.55 1.08 0.28 -2.12 0.00 0.00 175.29 173.98 2k5x n VAL 93 N 5.12 4.09 0.00 1.09 0.31 0.47 -4.93 118.33 124.48 2k5x n VAL 93 Ca 0.11 -5.43 0.00 0.00 -0.01 0.00 0.00 64.34 59.01 2k5x n VAL 93 Cb 0.47 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2k5x n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k5x n GLY 94 N 2.06 0.59 0.13 2.92 0.00 -1.26 -2.54 105.19 107.08 2k5x n GLY 94 Ca 0.24 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 2k5x n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k5x h GLY 95 N 0.00 0.23 -7.21 -0.02 0.00 -2.03 -3.45 103.07 90.60 2k5x h GLY 95 Ca 0.00 -0.59 -0.56 0.00 0.00 0.00 0.00 47.33 46.18 2k5x h GLY 95 CO 0.00 0.51 0.93 0.50 0.00 0.00 0.00 176.54 178.49 2k5x s ARG 96 N -2.50 3.29 -0.07 4.80 0.52 -1.05 -4.83 118.95 119.10 2k5x s ARG 96 Ca -0.24 -0.16 0.10 0.00 -0.52 0.00 0.00 55.73 54.92 2k5x s ARG 96 Cb 0.06 -4.12 -0.15 0.00 0.52 0.00 0.00 34.95 31.26 2k5x s ARG 96 CO 0.73 -1.91 0.12 1.63 0.02 0.00 0.00 175.30 175.88 2k5x n LYS 97 N 8.74 1.54 -3.28 3.54 5.02 -1.26 -0.40 118.16 132.07 2k5x n LYS 97 Ca 0.04 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2k5x n LYS 97 Cb 0.48 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 2k5x n LYS 97 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2k5x s VAL 98 N -2.46 4.99 0.24 -0.18 -7.23 -1.26 -2.77 120.40 111.72 2k5x s VAL 98 Ca -0.05 0.12 -0.31 0.00 -1.81 0.00 0.00 61.98 59.93 2k5x s VAL 98 Cb 0.05 -3.73 -0.12 0.00 0.56 0.00 0.00 36.38 33.13 2k5x s VAL 98 CO 0.46 -0.35 1.63 -1.22 -0.31 0.00 0.00 175.10 175.30 2k5x n TYR 99 N -0.99 2.66 -4.37 2.82 4.01 -0.61 -4.27 117.16 116.42 2k5x n TYR 99 Ca -0.01 0.19 -0.27 0.00 -0.16 0.00 0.00 57.90 57.64 2k5x n TYR 99 Cb 0.54 -2.61 -0.13 0.00 -0.31 0.00 0.00 39.34 36.84 2k5x n TYR 99 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2k5x s GLU 100 N 0.37 1.36 -0.19 -0.72 2.02 -0.38 -4.80 118.70 116.36 2k5x s GLU 100 Ca 0.71 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 2k5x s GLU 100 Cb -0.54 -1.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2k5x s GLU 100 CO 0.41 0.41 0.30 -0.51 0.02 0.00 0.00 175.26 175.89 2k5x s LEU 101 N -2.16 4.18 0.35 1.80 1.43 -1.26 -0.56 118.68 122.45 2k5x s LEU 101 Ca 0.14 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2k5x s LEU 101 Cb -0.09 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2k5x s LEU 101 CO 0.06 0.02 0.13 -2.28 0.23 0.00 0.00 176.35 174.51 2k5x s HIS 102 N 0.93 1.74 0.04 0.29 5.65 -0.22 -4.94 115.29 118.79 2k5x s HIS 102 Ca 0.15 -1.26 0.03 0.00 0.25 0.00 0.00 55.06 54.23 2k5x s HIS 102 Cb -0.14 -1.06 -0.02 0.00 -1.18 0.00 0.00 32.58 30.18 2k5x s HIS 102 CO 0.05 -0.33 -0.09 -1.01 -0.65 0.00 0.00 174.74 172.72 2k5x s HIS 103 N -3.39 0.75 0.09 3.88 3.76 -1.26 -0.57 115.29 118.56 2k5x s HIS 103 Ca 0.31 -0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 54.70 2k5x s HIS 103 Cb 0.05 -0.45 -0.19 0.00 1.11 0.00 0.00 32.58 33.10 2k5x s HIS 103 CO 0.16 -0.05 1.21 0.22 -0.85 0.00 0.00 174.74 175.43 2k5x h ASP 104 N 4.69 0.68 -2.91 1.40 3.58 -1.77 -3.43 116.42 118.66 2k5x h ASP 104 Ca -0.36 -0.59 -0.64 0.00 0.42 0.00 0.00 57.03 55.87 2k5x h ASP 104 Cb 1.20 -0.21 -0.08 0.00 1.72 0.00 0.00 39.33 41.95 2k5x h ASP 104 CO 0.42 1.40 -0.43 -0.54 -2.88 0.00 0.00 179.24 177.22 2k5x s LYS 105 N -3.13 3.77 0.24 0.28 1.02 -1.26 -5.08 119.74 115.58 2k5x s LYS 105 Ca -0.07 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.56 2k5x s LYS 105 Cb 0.07 -3.27 -0.11 0.00 -0.52 0.00 0.00 37.83 34.00 2k5x s LYS 105 CO 0.90 0.59 1.63 -2.14 -0.92 0.00 0.00 175.35 175.41 2k5x s PRO 106 N -0.54 4.14 0.17 -1.68 0.02 -1.26 -4.46 135.00 131.38 2k5x s PRO 106 Ca 0.15 2.55 -0.25 0.00 0.02 0.00 0.00 61.00 63.46 2k5x s PRO 106 Cb -0.13 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.37 2k5x s PRO 106 CO 0.04 -0.66 1.58 0.82 -0.33 0.00 0.00 177.00 178.44 2k5x h ILE 107 N 3.64 0.12 0.00 2.83 2.04 -1.93 -0.61 117.51 123.60 2k5x h ILE 107 Ca -0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2k5x h ILE 107 Cb 1.21 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2k5x h ILE 107 CO 0.87 0.00 0.16 -1.54 0.00 0.00 0.00 178.15 177.65 2k5x n SER 108 N -5.41 0.25 -0.75 1.72 3.41 -1.26 -2.05 113.62 109.53 2k5x n SER 108 Ca 0.01 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 2k5x n SER 108 Cb 0.35 -0.52 0.20 0.00 -0.26 0.00 0.00 64.21 63.98 2k5x n SER 108 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2k5x n GLN 109 N -1.82 1.66 -1.43 4.33 7.27 -0.25 -4.92 117.38 122.22 2k5x n GLN 109 Ca -0.01 -3.24 0.00 0.00 0.07 0.00 0.00 57.00 53.82 2k5x n GLN 109 Cb 0.18 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.15 2k5x n GLN 109 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k5x n GLY 110 N -1.13 0.53 3.56 1.69 0.00 -1.03 -4.87 105.19 103.94 2k5x n GLY 110 Ca 0.23 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2k5x n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5x s GLY 111 N -2.43 1.60 -0.48 -0.02 0.00 -0.87 -4.96 107.32 100.17 2k5x s GLY 111 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 2k5x s GLY 111 CO 0.00 1.80 1.87 -0.54 0.00 0.00 0.00 173.10 176.23 2k5x s GLU 112 N 3.28 2.90 0.01 2.90 2.02 -1.26 -4.64 118.70 123.91 2k5x s GLU 112 Ca 0.31 1.03 -0.08 0.00 0.02 0.00 0.00 54.97 56.26 2k5x s GLU 112 Cb -0.12 -4.32 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 2k5x s GLU 112 CO 0.21 -2.39 1.11 0.28 0.02 0.00 0.00 175.26 174.50 2k5x h VAL 113 N 6.91 0.00 0.00 2.63 2.07 -1.96 -3.26 116.25 122.65 2k5x h VAL 113 Ca -0.29 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 66.83 2k5x h VAL 113 Cb 1.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2k5x h VAL 113 CO 1.13 0.00 2.18 -1.22 0.02 0.00 0.00 177.57 179.68 2k5x n TYR 114 N -2.74 1.29 -3.58 1.57 4.01 -1.26 -4.68 117.16 111.77 2k5x n TYR 114 Ca -0.03 -2.08 -0.28 0.00 -0.16 0.00 0.00 57.90 55.35 2k5x n TYR 114 Cb 0.11 -1.83 -0.16 0.00 -0.31 0.00 0.00 39.34 37.15 2k5x n TYR 114 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2k5x s ASP 115 N 2.65 3.01 0.59 7.72 -1.08 -1.23 -2.46 116.67 125.88 2k5x s ASP 115 Ca 0.53 -0.99 0.28 0.00 -0.52 0.00 0.00 52.55 51.85 2k5x s ASP 115 Cb 0.17 -0.32 1.71 0.00 -1.46 0.00 0.00 42.92 43.02 2k5x s ASP 115 CO -0.03 -0.40 2.17 0.24 0.52 0.00 0.00 175.17 177.68 2k5x h MET 116 N 8.40 0.00 0.00 4.34 2.86 -0.56 -1.14 114.93 128.83 2k5x h MET 116 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2k5x h MET 116 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2k5x h MET 116 CO 0.37 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.90 2k5x h ASP 117 N 0.00 0.00 -0.01 1.22 5.19 -1.93 -1.87 116.42 119.02 2k5x h ASP 117 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2k5x h ASP 117 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2k5x h ASP 117 CO -0.00 0.00 -0.40 -3.20 -3.12 0.00 0.00 179.24 172.52 2k5x n ASN 118 N -2.34 1.60 -4.42 6.45 5.15 -0.43 -4.95 115.26 116.31 2k5x n ASN 118 Ca -0.01 -1.30 -0.37 0.00 -0.60 0.00 0.00 54.58 52.30 2k5x n ASN 118 Cb 0.06 0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 39.71 2k5x n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k5x s ILE 119 N -2.05 4.30 -0.15 -1.44 1.01 -0.70 -1.93 121.20 120.25 2k5x s ILE 119 Ca 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 2k5x s ILE 119 Cb 0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2k5x s ILE 119 CO 0.46 0.23 -0.02 -0.13 0.00 0.00 0.00 174.94 175.47 2k5x s ARG 120 N 1.59 3.61 -0.07 2.79 1.81 0.27 -2.25 118.95 126.70 2k5x s ARG 120 Ca 0.05 -0.48 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 2k5x s ARG 120 Cb -0.16 -2.93 -0.03 0.00 -0.45 0.00 0.00 34.95 31.37 2k5x s ARG 120 CO 0.04 0.32 1.29 0.08 -0.68 0.00 0.00 175.30 176.35 2k5x s VAL 121 N 0.17 4.10 0.06 3.52 1.01 0.91 -1.06 120.40 129.10 2k5x s VAL 121 Ca -0.00 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.46 2k5x s VAL 121 Cb -0.13 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2k5x s VAL 121 CO 0.02 -0.04 -0.20 0.42 0.00 0.00 0.00 175.10 175.30 2k5x s THR 122 N 2.73 1.59 0.68 3.92 -4.23 0.27 -1.63 115.64 118.97 2k5x s THR 122 Ca 0.58 -1.24 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 2k5x s THR 122 Cb -0.26 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.19 2k5x s THR 122 CO 0.21 0.11 1.07 0.42 -0.54 0.00 0.00 174.62 175.90 2k5x s THR 123 N -0.89 3.73 0.34 3.99 -4.23 -0.90 -1.24 115.64 116.43 2k5x s THR 123 Ca 0.06 0.65 0.12 0.00 -1.18 0.00 0.00 61.69 61.35 2k5x s THR 123 Cb -0.09 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.84 2k5x s THR 123 CO 0.02 -0.64 1.62 -0.65 -0.54 0.00 0.00 174.62 174.43 2k5x h PRO 124 N -0.42 0.16 -0.28 3.99 0.11 -1.74 0.19 132.00 134.01 2k5x h PRO 124 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2k5x h PRO 124 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k5x h PRO 124 CO 0.55 0.11 -0.13 -0.22 -0.21 0.00 0.00 178.00 178.10 2k5x h LYS 125 N 0.16 0.46 0.02 1.05 1.63 -1.91 -1.25 116.57 116.74 2k5x h LYS 125 Ca 0.72 -0.13 -0.26 0.00 -0.85 0.00 0.00 60.65 60.13 2k5x h LYS 125 Cb 1.69 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 33.29 2k5x h LYS 125 CO -0.71 0.59 -1.02 -0.09 -3.45 0.00 0.00 179.45 174.77 2k5x h ARG 126 N 0.43 0.65 -0.14 1.90 9.65 -1.28 -2.15 114.38 123.44 2k5x h ARG 126 Ca 0.08 -0.73 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 2k5x h ARG 126 Cb 0.48 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2k5x h ARG 126 CO 0.03 1.31 0.09 1.25 2.80 0.00 0.00 179.97 185.45 2k5x h HIS 127 N 0.31 0.18 -0.58 2.20 2.76 -0.86 -2.58 115.15 116.58 2k5x h HIS 127 Ca -0.13 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.13 2k5x h HIS 127 Cb 1.69 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.51 2k5x h HIS 127 CO 0.11 0.13 0.18 0.82 -1.30 0.00 0.00 177.93 177.88 2k5x h ILE 128 N 0.18 0.74 -0.04 6.26 2.04 -1.37 -2.16 117.51 123.15 2k5x h ILE 128 Ca 0.05 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2k5x h ILE 128 Cb 0.00 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 2k5x h ILE 128 CO -0.01 0.06 -0.44 0.44 0.00 0.00 0.00 178.15 178.20 2k5x h ASP 129 N 0.34 -1.37 0.74 1.72 3.32 -1.02 0.34 116.42 120.49 2k5x h ASP 129 Ca 0.29 0.17 -0.21 0.00 0.02 0.00 0.00 57.03 57.30 2k5x h ASP 129 Cb 0.38 0.54 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2k5x h ASP 129 CO -0.32 -0.46 -0.96 0.40 -1.72 0.00 0.00 179.24 176.17 2k5x h ILE 130 N -0.57 1.57 -0.40 0.35 2.04 -1.49 -2.41 117.51 116.60 2k5x h ILE 130 Ca 0.05 -2.93 -0.04 0.00 1.00 0.00 0.00 64.86 62.94 2k5x h ILE 130 Cb 0.66 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2k5x h ILE 130 CO -0.35 0.85 0.05 1.41 0.00 0.00 0.00 178.15 180.10 2k5x n HIS 131 N -3.54 1.40 -3.52 1.37 8.25 -0.82 -4.96 115.22 113.39 2k5x n HIS 131 Ca -0.03 -0.56 -0.21 0.00 -0.26 0.00 0.00 57.72 56.66 2k5x n HIS 131 Cb 0.87 -0.40 0.05 0.00 1.12 0.00 0.00 29.99 31.64 2k5x n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k5x n ARG 132 N 0.29 -3.55 0.00 -0.41 5.12 -0.05 -2.46 116.66 115.61 2k5x n ARG 132 Ca 0.20 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2k5x n ARG 132 Cb 0.90 -5.24 0.00 0.00 -1.16 0.00 0.00 32.46 26.96 2k5x n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k5x n GLY 133 N -1.43 2.96 0.00 -0.13 0.00 -0.29 -5.04 105.19 101.26 2k5x n GLY 133 Ca -0.18 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.21 2k5x n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60