#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 1.49 0.23 7.83 0.01 -1.26 -5.14 113.70 116.87 2kb3 s SER 2 Ca 0.00 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 57.12 2kb3 s SER 2 Cb 0.00 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 2kb3 s SER 2 CO 0.00 0.08 -0.06 1.51 0.41 0.00 0.00 173.24 175.18 2kb3 s ASP 3 N 0.24 4.35 0.37 2.44 -4.77 -1.26 -5.11 116.67 112.94 2kb3 s ASP 3 Ca -0.05 -0.66 -0.27 0.00 -3.30 0.00 0.00 52.55 48.27 2kb3 s ASP 3 Cb -0.10 -0.75 -0.10 0.00 -1.09 0.00 0.00 42.92 40.88 2kb3 s ASP 3 CO 0.01 0.04 1.33 0.21 0.70 0.00 0.00 175.17 177.46 2kb3 s ASN 4 N -3.34 6.51 0.15 2.11 2.47 -1.26 -4.98 114.94 116.60 2kb3 s ASN 4 Ca 0.29 2.72 -0.30 0.00 0.42 0.00 0.00 52.86 55.99 2kb3 s ASN 4 Cb -0.07 -2.65 -0.07 0.00 -1.45 0.00 0.00 41.25 37.01 2kb3 s ASN 4 CO 0.18 -0.72 1.09 0.20 -3.72 0.00 0.00 177.10 174.13 2kb3 s ASN 5 N -0.56 7.28 0.52 -4.21 -0.87 -1.26 -5.01 114.94 110.83 2kb3 s ASN 5 Ca 0.53 2.02 -0.21 0.00 -1.57 0.00 0.00 52.86 53.63 2kb3 s ASN 5 Cb -0.40 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.25 38.18 2kb3 s ASN 5 CO 0.52 -0.23 1.22 -0.83 -2.57 0.00 0.00 177.10 175.21 2kb3 s GLY 6 N 0.10 2.78 -0.27 0.66 0.00 -1.26 -4.98 107.32 104.36 2kb3 s GLY 6 Ca 0.50 1.04 -0.19 0.00 0.00 0.00 0.00 44.72 46.07 2kb3 s GLY 6 CO 0.33 1.48 0.58 -1.59 0.00 0.00 0.00 173.10 173.91 2kb3 s THR 7 N -1.52 5.01 0.37 0.90 2.01 -1.26 -5.03 115.64 116.12 2kb3 s THR 7 Ca 0.70 0.98 -0.27 0.00 0.31 0.00 0.00 61.69 63.41 2kb3 s THR 7 Cb -0.31 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.18 2kb3 s THR 7 CO 0.37 0.02 1.26 -2.65 -0.69 0.00 0.00 174.62 172.93 2kb3 n PRO 8 N 5.67 2.00 -3.21 4.92 -0.02 -1.26 -4.98 135.00 138.12 2kb3 n PRO 8 Ca -0.02 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 2kb3 n PRO 8 Cb 0.49 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kb3 s GLU 9 N -1.97 4.32 0.00 -0.52 -1.05 -1.26 -5.07 118.70 113.15 2kb3 s GLU 9 Ca 0.57 0.57 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2kb3 s GLU 9 Cb -0.56 -3.48 0.00 0.00 -0.44 0.00 0.00 34.13 29.66 2kb3 s GLU 9 CO 0.61 0.03 0.00 -0.35 0.95 0.00 0.00 175.26 176.50 2kb3 n PRO 10 N 4.08 1.11 -3.92 -4.83 -0.04 -1.26 -5.02 135.00 125.12 2kb3 n PRO 10 Ca -0.04 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.19 2kb3 n PRO 10 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 2kb3 n PRO 10 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kb3 s GLN 11 N -0.96 2.48 -0.19 0.54 -0.21 -1.26 -5.11 119.66 114.95 2kb3 s GLN 11 Ca 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 55.36 53.83 2kb3 s GLN 11 Cb 0.00 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 2kb3 s GLN 11 CO 0.00 0.03 -0.01 0.08 -2.12 0.00 0.00 175.29 173.27 2kb3 s VAL 12 N -2.42 3.92 -0.26 1.09 1.01 -1.26 -4.88 120.40 117.60 2kb3 s VAL 12 Ca 0.41 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 2kb3 s VAL 12 Cb -0.03 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 33.67 2kb3 s VAL 12 CO 0.25 0.44 0.66 -0.70 0.00 0.00 0.00 175.10 175.75 2kb3 s GLU 13 N 0.87 0.70 0.00 2.72 2.12 -1.26 -5.08 118.70 118.76 2kb3 s GLU 13 Ca 0.00 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.45 2kb3 s GLU 13 Cb -0.14 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.43 2kb3 s GLU 13 CO 0.02 -0.14 0.00 2.41 -0.54 0.00 0.00 175.26 177.01 2kb3 n THR 14 N 3.94 0.00 -3.66 -1.70 -1.04 -1.26 -4.92 114.28 105.64 2kb3 n THR 14 Ca -0.19 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 2kb3 n THR 14 Cb 0.58 -1.38 -0.09 0.00 -1.82 0.00 0.00 70.33 67.62 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb3 s SER 16 N -1.22 -0.51 -0.35 8.00 0.15 -1.26 -5.07 113.70 113.44 2kb3 s SER 16 Ca 0.00 1.11 -0.25 0.00 0.70 0.00 0.00 55.95 57.51 2kb3 s SER 16 Cb 0.00 1.37 0.01 0.00 -1.71 0.00 0.00 66.02 65.69 2kb3 s SER 16 CO 0.00 -0.22 0.85 -0.69 1.20 0.00 0.00 173.24 174.38 2kb3 s VAL 17 N 2.31 4.68 -0.01 4.45 1.01 -1.26 -4.42 120.40 127.16 2kb3 s VAL 17 Ca -0.05 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.10 2kb3 s VAL 17 Cb -0.11 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2kb3 s VAL 17 CO -0.14 -0.43 -0.15 0.72 0.00 0.00 0.00 175.10 175.09 2kb3 s PHE 18 N 3.24 2.65 -0.85 5.22 -0.12 -0.16 -5.05 117.98 122.91 2kb3 s PHE 18 Ca 0.35 -0.19 -0.25 0.00 -0.05 0.00 0.00 56.93 56.78 2kb3 s PHE 18 Cb -0.13 -1.56 0.04 0.00 -0.63 0.00 0.00 43.02 40.75 2kb3 s PHE 18 CO 0.16 0.22 1.32 1.03 -0.05 0.00 0.00 175.22 177.91 2kb3 s ARG 19 N -1.09 3.35 0.85 1.99 0.52 -1.26 -4.50 118.95 118.80 2kb3 s ARG 19 Ca 0.13 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 2kb3 s ARG 19 Cb -0.11 -4.65 0.19 0.00 0.52 0.00 0.00 34.95 30.91 2kb3 s ARG 19 CO 0.03 -2.14 1.15 0.00 0.02 0.00 0.00 175.30 174.37 2kb3 n ALA 20 N 9.01 -1.21 1.34 2.13 0.00 -1.25 -4.94 120.51 125.59 2kb3 n ALA 20 Ca 0.15 -1.56 0.06 0.00 0.00 0.00 0.00 53.44 52.08 2kb3 n ALA 20 Cb 0.50 -0.04 0.35 0.00 0.00 0.00 0.00 19.45 20.26 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kb3 n ASP 21 N -3.68 0.00 0.13 0.00 5.75 -1.26 -3.07 116.55 114.42 2kb3 n ASP 21 Ca 0.15 -0.97 0.12 0.00 -0.01 0.00 0.00 54.79 54.08 2kb3 n ASP 21 Cb 0.52 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.86 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2kb3 h LEU 22 N 0.00 0.00 0.00 -2.12 -0.00 -1.91 -3.35 115.31 107.93 2kb3 h LEU 22 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2kb3 h LEU 22 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kb3 h LEU 22 CO 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 2kb3 n LEU 23 N -2.50 0.00 -0.03 0.17 -0.00 -1.17 -1.98 117.00 111.49 2kb3 n LEU 23 Ca 0.04 0.06 0.05 0.00 -0.00 0.00 0.00 56.01 56.16 2kb3 n LEU 23 Cb 0.47 -0.06 -0.14 0.00 -0.00 0.00 0.00 43.42 43.69 2kb3 n LEU 23 CO 0.34 -0.03 -0.81 0.29 -0.00 0.00 0.00 177.39 177.18 2kb3 n LYS 24 N -1.06 0.71 0.22 1.47 5.02 -1.26 -4.51 118.16 118.76 2kb3 n LYS 24 Ca 0.11 -0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 2kb3 n LYS 24 Cb 0.07 -1.45 0.41 0.00 -0.02 0.00 0.00 35.03 34.04 2kb3 n LYS 24 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kb3 h GLU 25 N 0.00 0.00 -0.21 1.97 4.81 -1.65 -1.05 114.58 118.45 2kb3 h GLU 25 Ca -0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kb3 h GLU 25 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2kb3 h GLU 25 CO 0.01 0.23 0.10 1.98 -0.73 0.00 0.00 179.01 180.60 2kb3 h MET 26 N 0.00 0.31 0.00 1.92 4.05 -1.79 -1.06 114.93 118.35 2kb3 h MET 26 Ca -0.00 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2kb3 h MET 26 Cb 0.81 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 2kb3 h MET 26 CO 0.03 0.32 -1.03 1.49 0.23 0.00 0.00 176.91 177.95 2kb3 h GLU 27 N 0.22 0.00 0.00 0.39 4.81 -1.83 -3.21 114.58 114.96 2kb3 h GLU 27 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2kb3 h GLU 27 Cb 0.12 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2kb3 h GLU 27 CO -0.01 0.15 -0.09 1.03 -0.73 0.00 0.00 179.01 179.37 2kb3 h SER 28 N 0.00 0.00 -0.59 1.04 0.87 -0.96 -0.30 113.55 113.62 2kb3 h SER 28 Ca -0.06 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2kb3 h SER 28 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 2kb3 h SER 28 CO 0.02 0.09 0.06 -1.28 -0.53 0.00 0.00 176.83 175.19 2kb3 h SER 29 N 0.00 0.99 0.00 6.23 0.87 -1.19 -3.47 113.55 116.98 2kb3 h SER 29 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kb3 h SER 29 Cb 0.18 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2kb3 h SER 29 CO 0.01 1.01 0.00 0.41 -0.53 0.00 0.00 176.83 177.73 2kb3 n THR 30 N -4.20 0.00 0.00 2.23 -1.04 -0.12 -4.60 114.28 106.54 2kb3 n THR 30 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2kb3 n THR 30 Cb 0.31 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N -2.00 -0.50 3.67 3.41 0.00 -1.26 -5.09 105.19 103.41 2kb3 n GLY 31 Ca 0.00 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 0.00 4.05 -0.26 2.61 2.01 -1.26 -4.98 115.64 117.81 2kb3 s THR 32 Ca 0.00 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.31 2kb3 s THR 32 Cb 0.00 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.74 2kb3 s THR 32 CO 0.00 -0.09 0.01 0.00 -0.69 0.00 0.00 174.62 173.85 2kb3 s ALA 33 N 3.39 1.80 0.45 7.40 0.00 -1.26 -5.11 121.76 128.44 2kb3 s ALA 33 Ca 0.60 -1.47 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 2kb3 s ALA 33 Cb -0.26 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 2kb3 s ALA 33 CO 0.20 -1.37 1.41 -2.14 0.00 0.00 0.00 175.76 173.86 2kb3 s PRO 34 N 1.47 3.69 0.00 0.00 0.02 -1.26 -4.92 135.00 134.00 2kb3 s PRO 34 Ca 0.01 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 2kb3 s PRO 34 Cb -0.18 -2.65 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 2kb3 s PRO 34 CO -0.12 -0.80 1.36 0.00 -0.33 0.00 0.00 177.00 177.11 2kb3 s ALA 35 N -1.21 3.56 -0.90 -1.55 0.00 -1.26 -4.93 121.76 115.46 2kb3 s ALA 35 Ca 0.61 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 2kb3 s ALA 35 Cb -0.43 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.19 2kb3 s ALA 35 CO 0.55 -0.85 1.25 -1.12 0.00 0.00 0.00 175.76 175.59 2kb3 s SER 36 N 1.73 6.45 0.17 0.00 0.01 -1.26 -4.71 113.70 116.09 2kb3 s SER 36 Ca 0.62 -1.46 0.04 0.00 1.31 0.00 0.00 55.95 56.47 2kb3 s SER 36 Cb -0.31 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2kb3 s SER 36 CO 0.26 -1.39 0.23 -0.89 0.41 0.00 0.00 173.24 171.86 2kb3 s THR 37 N 4.18 4.94 -0.41 1.44 2.01 -1.26 -4.99 115.64 121.55 2kb3 s THR 37 Ca 0.37 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2kb3 s THR 37 Cb -0.05 -3.56 0.25 0.00 0.01 0.00 0.00 72.50 69.15 2kb3 s THR 37 CO -0.04 -0.13 1.14 0.61 -0.69 0.00 0.00 174.62 175.51 2kb3 n GLY 38 N -0.57 2.47 0.64 4.40 0.00 -1.26 -3.68 105.19 107.19 2kb3 n GLY 38 Ca -0.08 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.70 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N 0.06 2.50 0.77 4.61 0.00 -1.26 -4.23 120.51 122.95 2kb3 n ALA 39 Ca 0.15 -0.60 0.07 0.00 0.00 0.00 0.00 53.44 53.07 2kb3 n ALA 39 Cb 0.75 -1.05 0.39 0.00 0.00 0.00 0.00 19.45 19.54 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N 0.50 0.31 0.00 0.00 0.28 -1.24 -0.86 120.64 119.62 2kb3 n GLU 40 Ca 0.16 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 2kb3 n GLU 40 Cb 0.36 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.77 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kb3 n ASN 41 N -1.17 2.36 -2.75 -1.84 5.15 -1.26 -5.02 115.26 110.73 2kb3 n ASN 41 Ca 0.08 -1.68 -0.05 0.00 -0.60 0.00 0.00 54.58 52.33 2kb3 n ASN 41 Cb 0.09 0.28 0.01 0.00 -0.53 0.00 0.00 39.78 39.62 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kb3 n LEU 42 N 0.51 -7.73 0.29 1.20 7.99 -0.04 -4.91 117.00 114.31 2kb3 n LEU 42 Ca 0.11 0.76 -0.18 0.00 -0.01 0.00 0.00 56.01 56.69 2kb3 n LEU 42 Cb 0.50 -3.29 -0.10 0.00 -0.11 0.00 0.00 43.42 40.42 2kb3 n LEU 42 CO 0.22 -2.50 0.53 1.55 -1.51 0.00 0.00 177.39 175.68 2kb3 h PRO 43 N 2.20 -0.96 -0.01 3.23 0.13 -1.84 -2.94 132.00 131.81 2kb3 h PRO 43 Ca 0.00 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kb3 h PRO 43 Cb 0.69 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kb3 h PRO 43 CO 0.16 -0.64 -0.13 0.00 -0.23 0.00 0.00 178.00 177.17 2kb3 n ALA 44 N -2.81 2.81 -1.00 -0.56 0.00 -1.26 -4.88 120.51 112.81 2kb3 n ALA 44 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2kb3 n ALA 44 Cb 0.46 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N 1.27 0.47 3.38 0.00 0.00 -1.11 -4.97 105.19 104.22 2kb3 n GLY 45 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.03 0.04 0.06 1.61 0.01 -1.26 -5.00 113.70 107.13 2kb3 s SER 46 Ca 0.00 -1.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.04 2kb3 s SER 46 Cb 0.00 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2kb3 s SER 46 CO 0.00 -0.97 0.19 0.00 0.41 0.00 0.00 173.24 172.87 2kb3 s ALA 47 N -4.07 -0.29 0.08 1.44 0.00 -1.26 -4.25 121.76 113.40 2kb3 s ALA 47 Ca 0.29 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.84 2kb3 s ALA 47 Cb 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2kb3 s ALA 47 CO 0.09 -0.43 -0.10 -0.48 0.00 0.00 0.00 175.76 174.84 2kb3 s LEU 48 N -2.45 2.35 -0.11 0.00 2.34 0.46 -1.25 118.68 120.03 2kb3 s LEU 48 Ca -0.00 -0.73 -0.01 0.00 0.06 0.00 0.00 54.13 53.45 2kb3 s LEU 48 Cb 0.02 -0.31 -0.03 0.00 -0.56 0.00 0.00 46.19 45.31 2kb3 s LEU 48 CO -0.07 -0.22 -0.07 -1.48 -1.06 0.00 0.00 176.35 173.44 2kb3 s LEU 49 N -2.15 3.09 -0.08 1.48 0.05 0.28 -0.51 118.68 120.84 2kb3 s LEU 49 Ca 0.01 -0.12 0.02 0.00 0.05 0.00 0.00 54.13 54.09 2kb3 s LEU 49 Cb -0.05 -1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 42.37 2kb3 s LEU 49 CO 0.00 0.27 -0.15 0.54 -0.55 0.00 0.00 176.35 176.46 2kb3 s VAL 50 N -0.23 2.95 -0.29 1.48 0.11 0.26 -0.35 120.40 124.33 2kb3 s VAL 50 Ca 0.03 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 2kb3 s VAL 50 Cb -0.13 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2kb3 s VAL 50 CO 0.03 0.56 1.05 -0.69 -3.33 0.00 0.00 175.10 172.72 2kb3 s VAL 51 N -0.21 4.57 -0.06 2.04 1.01 0.43 -0.59 120.40 127.59 2kb3 s VAL 51 Ca 0.00 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.87 2kb3 s VAL 51 Cb -0.13 -4.38 -0.24 0.00 0.00 0.00 0.00 36.38 31.63 2kb3 s VAL 51 CO 0.03 -0.39 0.59 1.17 0.00 0.00 0.00 175.10 176.50 2kb3 n LYS 52 N 6.69 0.66 -3.77 2.72 3.00 0.11 -0.94 118.16 126.62 2kb3 n LYS 52 Ca 0.12 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2kb3 n LYS 52 Cb 0.47 -1.77 -0.11 0.00 0.00 0.00 0.00 35.03 33.62 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kb3 s ARG 53 N -2.59 0.37 0.00 1.64 3.52 -1.17 -4.75 118.95 115.97 2kb3 s ARG 53 Ca -0.08 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2kb3 s ARG 53 Cb 0.08 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2kb3 s ARG 53 CO 0.81 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 2kb3 n GLY 54 N 2.76 2.26 0.29 8.12 0.00 -1.23 -0.76 105.19 116.62 2kb3 n GLY 54 Ca -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.03 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 0.00 0.66 -0.78 1.61 0.11 -1.89 -1.05 132.00 130.66 2kb3 h PRO 55 Ca 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2kb3 h PRO 55 Cb 0.00 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.92 2kb3 h PRO 55 CO 0.00 0.43 0.08 0.27 -0.21 0.00 0.00 178.00 178.57 2kb3 n ASN 56 N -4.82 4.02 -4.68 -2.05 0.23 -1.26 -4.97 115.26 101.73 2kb3 n ASN 56 Ca 0.12 -2.70 -0.44 0.00 -0.53 0.00 0.00 54.58 51.04 2kb3 n ASN 56 Cb 0.29 -0.64 -0.02 0.00 -2.08 0.00 0.00 39.78 37.33 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 n ALA 57 N 0.23 1.08 0.00 -2.53 0.00 -0.40 -1.94 120.51 116.94 2kb3 n ALA 57 Ca 0.22 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2kb3 n ALA 57 Cb 0.95 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2kb3 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 58 N 1.53 2.85 3.80 0.00 0.00 -0.12 -4.97 105.19 108.28 2kb3 n GLY 58 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.64 3.39 -0.02 4.61 0.00 -0.82 -4.87 121.76 121.41 2kb3 s ALA 59 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2kb3 s ALA 59 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2kb3 s ALA 59 CO 0.00 0.29 -0.05 -0.98 0.00 0.00 0.00 175.76 175.02 2kb3 s ARG 60 N -1.73 0.59 -0.07 0.00 1.70 -1.26 -0.43 118.95 117.76 2kb3 s ARG 60 Ca 0.42 -0.15 0.02 0.00 -0.47 0.00 0.00 55.73 55.55 2kb3 s ARG 60 Cb -0.19 -0.60 0.01 0.00 -0.57 0.00 0.00 34.95 33.60 2kb3 s ARG 60 CO 0.23 0.04 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.30 2kb3 s PHE 61 N 0.32 1.50 0.01 5.89 0.08 0.53 -4.96 117.98 121.35 2kb3 s PHE 61 Ca -0.04 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.29 2kb3 s PHE 61 Cb -0.08 -1.10 -0.06 0.00 -0.57 0.00 0.00 43.02 41.22 2kb3 s PHE 61 CO -0.00 -0.29 0.46 -0.48 -0.10 0.00 0.00 175.22 174.80 2kb3 s LEU 62 N 0.68 4.47 -0.59 -0.37 2.34 -1.26 -0.56 118.68 123.40 2kb3 s LEU 62 Ca -0.14 1.03 -0.25 0.00 0.06 0.00 0.00 54.13 54.83 2kb3 s LEU 62 Cb -0.16 -2.68 0.04 0.00 -0.56 0.00 0.00 46.19 42.84 2kb3 s LEU 62 CO 0.04 0.28 1.00 -0.76 -1.06 0.00 0.00 176.35 175.85 2kb3 s LEU 63 N -0.93 3.99 0.00 1.48 2.01 -0.38 -4.68 118.68 120.17 2kb3 s LEU 63 Ca 0.25 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.98 2kb3 s LEU 63 Cb -0.17 -2.78 0.00 0.00 0.01 0.00 0.00 46.19 43.25 2kb3 s LEU 63 CO 0.15 -1.35 0.28 -0.67 1.01 0.00 0.00 176.35 175.77 2kb3 n ASP 64 N 7.78 0.57 -4.68 2.29 2.03 -1.26 -4.54 116.55 118.74 2kb3 n ASP 64 Ca 0.02 -0.83 -0.33 0.00 0.52 0.00 0.00 54.79 54.17 2kb3 n ASP 64 Cb 0.47 0.22 -0.09 0.00 -0.72 0.00 0.00 41.12 41.00 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.22 2.82 0.36 -0.67 0.00 -1.26 -5.01 119.66 115.69 2kb3 s GLN 65 Ca 0.00 -0.57 0.27 0.00 -0.00 0.00 0.00 55.36 55.06 2kb3 s GLN 65 Cb 0.00 -2.69 1.18 0.00 0.00 0.00 0.00 33.01 31.50 2kb3 s GLN 65 CO 0.00 0.64 1.81 -1.35 0.00 0.00 0.00 175.29 176.39 2kb3 h PRO 66 N 4.51 0.00 -2.73 9.60 0.11 -1.94 -3.40 132.00 138.14 2kb3 h PRO 66 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2kb3 h PRO 66 Cb 1.18 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.01 2kb3 h PRO 66 CO 0.57 0.00 -0.37 0.99 -0.21 0.00 0.00 178.00 178.98 2kb3 s THR 67 N -3.48 -0.13 -0.16 -1.15 2.01 -1.26 -0.55 115.64 110.92 2kb3 s THR 67 Ca 0.02 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2kb3 s THR 67 Cb 0.09 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 72.07 2kb3 s THR 67 CO 0.41 0.05 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.35 2kb3 s THR 68 N 1.59 1.66 0.05 -0.82 2.01 0.71 -4.97 115.64 115.88 2kb3 s THR 68 Ca -0.08 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 2kb3 s THR 68 Cb -0.10 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 2kb3 s THR 68 CO -0.11 0.44 0.65 0.42 -0.69 0.00 0.00 174.62 175.32 2kb3 s THR 69 N 1.44 4.74 0.06 -0.82 -4.23 -1.26 -0.18 115.64 115.39 2kb3 s THR 69 Ca 0.04 1.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.98 2kb3 s THR 69 Cb -0.13 -3.99 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 2kb3 s THR 69 CO -0.11 0.46 -0.15 0.00 -0.54 0.00 0.00 174.62 174.29 2kb3 s ALA 70 N -0.58 1.22 0.00 3.99 0.00 0.03 -1.39 121.76 125.02 2kb3 s ALA 70 Ca 0.32 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kb3 s ALA 70 Cb -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2kb3 s ALA 70 CO 0.20 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2kb3 n GLY 71 N 1.51 0.49 3.13 0.00 0.00 -1.25 -2.22 105.19 106.84 2kb3 n GLY 71 Ca -0.20 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -2.00 2.85 0.00 1.61 3.00 -1.23 -3.17 118.95 120.01 2kb3 s ARG 72 Ca 0.00 -0.93 0.00 0.00 -1.00 0.00 0.00 55.73 53.80 2kb3 s ARG 72 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 34.95 32.26 2kb3 s ARG 72 CO 0.00 -0.30 0.00 -2.39 0.00 0.00 0.00 175.30 172.61 2kb3 n HIS 73 N 4.60 0.00 0.24 5.12 1.44 -1.26 -0.66 115.22 124.70 2kb3 n HIS 73 Ca -0.19 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.60 2kb3 n HIS 73 Cb 0.48 0.00 0.60 0.00 0.12 0.00 0.00 29.99 31.20 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2kb3 h PRO 74 N 0.00 0.00 -0.16 -1.40 0.11 -1.96 -2.85 132.00 125.74 2kb3 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 74 CO 0.00 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.30 2kb3 n GLU 75 N -4.20 1.69 -2.04 1.05 -0.58 -1.26 -4.86 120.64 110.44 2kb3 n GLU 75 Ca -0.02 -1.04 -0.43 0.00 -0.42 0.00 0.00 57.16 55.25 2kb3 n GLU 75 Cb 0.20 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb3 s SER 76 N -1.55 6.50 0.27 1.62 0.01 -1.08 -4.85 113.70 114.63 2kb3 s SER 76 Ca 0.32 1.96 -0.04 0.00 1.31 0.00 0.00 55.95 59.50 2kb3 s SER 76 Cb 0.17 -2.53 0.34 0.00 0.21 0.00 0.00 66.02 64.20 2kb3 s SER 76 CO 0.26 -1.10 1.94 -0.78 0.41 0.00 0.00 173.24 173.97 2kb3 h ASP 77 N 10.23 1.07 -3.72 2.44 3.58 -1.56 -3.29 116.42 125.16 2kb3 h ASP 77 Ca -0.37 -0.03 -0.69 0.00 0.42 0.00 0.00 57.03 56.37 2kb3 h ASP 77 Cb 1.17 -0.27 -0.31 0.00 1.72 0.00 0.00 39.33 41.64 2kb3 h ASP 77 CO 0.97 0.77 -0.67 -0.63 -2.88 0.00 0.00 179.24 176.81 2kb3 s ILE 78 N -6.04 3.30 -0.14 2.25 -1.09 -0.60 -4.96 121.20 113.92 2kb3 s ILE 78 Ca -0.12 -1.25 -0.17 0.00 -2.23 0.00 0.00 60.65 56.88 2kb3 s ILE 78 Cb 0.18 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2kb3 s ILE 78 CO 0.81 -0.11 0.41 0.12 -1.23 0.00 0.00 174.94 174.94 2kb3 s PHE 79 N 1.32 3.48 -0.08 3.97 5.36 -1.24 -3.91 117.98 126.88 2kb3 s PHE 79 Ca -0.03 0.77 0.03 0.00 -0.96 0.00 0.00 56.93 56.74 2kb3 s PHE 79 Cb -0.19 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.01 2kb3 s PHE 79 CO 0.00 0.17 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.24 2kb3 s LEU 80 N 0.67 1.85 -0.32 6.12 2.01 -1.19 -4.99 118.68 122.83 2kb3 s LEU 80 Ca 0.22 -0.42 -0.11 0.00 0.01 0.00 0.00 54.13 53.83 2kb3 s LEU 80 Cb -0.14 -1.10 -0.02 0.00 0.01 0.00 0.00 46.19 44.93 2kb3 s LEU 80 CO 0.08 0.09 0.20 -0.62 1.01 0.00 0.00 176.35 177.11 2kb3 s ASP 81 N 0.53 5.89 0.00 2.29 2.15 -1.26 -4.26 116.67 122.00 2kb3 s ASP 81 Ca -0.16 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2kb3 s ASP 81 Cb -0.17 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2kb3 s ASP 81 CO 0.06 -0.18 0.00 -0.67 -0.17 0.00 0.00 175.17 174.21 2kb3 n ASP 82 N 5.06 1.40 0.12 -0.34 -0.08 -1.26 -4.86 116.55 116.59 2kb3 n ASP 82 Ca -0.13 -0.01 -0.01 0.00 -1.51 0.00 0.00 54.79 53.13 2kb3 n ASP 82 Cb 0.50 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.03 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2kb3 h VAL 83 N 0.01 1.28 -3.95 5.18 2.07 -2.04 -3.46 116.25 115.34 2kb3 h VAL 83 Ca 0.00 -2.47 -0.19 0.00 0.82 0.00 0.00 66.70 64.86 2kb3 h VAL 83 Cb 0.00 2.41 -0.22 0.00 -1.52 0.00 0.00 31.29 31.96 2kb3 h VAL 83 CO 0.00 0.66 -0.71 -0.89 0.02 0.00 0.00 177.57 176.65 2kb3 s THR 84 N -3.14 0.16 0.47 2.57 2.01 -1.26 -5.14 115.64 111.30 2kb3 s THR 84 Ca 0.01 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 2kb3 s THR 84 Cb 0.10 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 72.25 2kb3 s THR 84 CO 0.76 -0.42 1.05 -0.69 -0.69 0.00 0.00 174.62 174.63 2kb3 s VAL 85 N -1.28 3.71 -0.14 3.82 1.01 -1.26 -4.73 120.40 121.53 2kb3 s VAL 85 Ca -0.13 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.94 2kb3 s VAL 85 Cb -0.09 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.86 2kb3 s VAL 85 CO -0.01 -0.17 0.14 -0.94 0.00 0.00 0.00 175.10 174.13 2kb3 s SER 86 N -1.84 1.53 0.59 3.32 1.04 0.16 -4.93 113.70 113.57 2kb3 s SER 86 Ca 0.65 -0.18 0.29 0.00 0.48 0.00 0.00 55.95 57.19 2kb3 s SER 86 Cb -0.19 0.07 1.67 0.00 0.10 0.00 0.00 66.02 67.68 2kb3 s SER 86 CO 0.23 -0.31 2.10 0.08 0.98 0.00 0.00 173.24 176.32 2kb3 h ARG 87 N 8.38 0.00 -0.35 4.02 0.11 -1.90 -3.26 114.38 121.37 2kb3 h ARG 87 Ca -0.15 0.00 0.18 0.00 0.10 0.00 0.00 59.98 60.12 2kb3 h ARG 87 Cb 1.14 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.03 2kb3 h ARG 87 CO 0.23 0.00 -0.07 0.50 0.10 0.00 0.00 179.97 180.73 2kb3 s ARG 88 N -4.61 0.21 -0.16 0.08 3.52 -1.26 -4.66 118.95 112.06 2kb3 s ARG 88 Ca -0.05 0.16 -0.20 0.00 -0.13 0.00 0.00 55.73 55.52 2kb3 s ARG 88 Cb 0.15 0.08 -0.17 0.00 -1.56 0.00 0.00 34.95 33.45 2kb3 s ARG 88 CO 0.54 -0.37 0.36 1.25 -0.81 0.00 0.00 175.30 176.27 2kb3 h HIS 89 N 7.19 0.00 -3.32 5.12 -0.00 -1.60 -3.06 115.15 119.48 2kb3 h HIS 89 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 2kb3 h HIS 89 Cb 1.18 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 28.47 2kb3 h HIS 89 CO -0.08 0.92 -0.01 0.00 -0.00 0.00 0.00 177.93 178.75 2kb3 s ALA 90 N -2.37 -1.05 0.01 5.26 0.00 -1.03 -0.58 121.76 122.01 2kb3 s ALA 90 Ca -0.19 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2kb3 s ALA 90 Cb 0.01 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 2kb3 s ALA 90 CO 0.51 -0.68 -0.05 -1.83 0.00 0.00 0.00 175.76 173.70 2kb3 s GLU 91 N -3.80 0.41 -0.21 0.00 -1.05 0.60 -0.79 118.70 113.86 2kb3 s GLU 91 Ca 0.03 -0.39 -0.07 0.00 -0.15 0.00 0.00 54.97 54.39 2kb3 s GLU 91 Cb 0.01 -0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.37 2kb3 s GLU 91 CO -0.11 0.07 0.07 -0.06 0.95 0.00 0.00 175.26 176.17 2kb3 s PHE 92 N -0.62 3.16 -0.22 4.83 0.40 0.74 -0.39 117.98 125.89 2kb3 s PHE 92 Ca -0.03 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2kb3 s PHE 92 Cb -0.05 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.33 2kb3 s PHE 92 CO -0.00 -0.08 -0.06 1.03 0.70 0.00 0.00 175.22 176.80 2kb3 s ARG 93 N 0.96 3.23 -0.28 0.44 0.52 0.48 -0.21 118.95 124.09 2kb3 s ARG 93 Ca 0.04 -0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2kb3 s ARG 93 Cb -0.14 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.41 2kb3 s ARG 93 CO 0.03 -0.24 -0.02 0.42 0.02 0.00 0.00 175.30 175.51 2kb3 s ILE 94 N 1.43 2.98 -0.04 1.52 1.09 0.28 -0.73 121.20 127.74 2kb3 s ILE 94 Ca 0.05 -1.24 0.01 0.00 -1.10 0.00 0.00 60.65 58.37 2kb3 s ILE 94 Cb -0.14 -2.64 0.02 0.00 -1.06 0.00 0.00 42.46 38.64 2kb3 s ILE 94 CO -0.05 0.00 -0.03 0.20 -0.10 0.00 0.00 174.94 174.97 2kb3 s ASN 95 N 1.29 0.87 -1.46 3.58 0.02 -0.17 -4.24 114.94 114.83 2kb3 s ASN 95 Ca -0.03 -0.10 -0.10 0.00 -1.02 0.00 0.00 52.86 51.61 2kb3 s ASN 95 Cb -0.19 -0.39 0.05 0.00 0.02 0.00 0.00 41.25 40.74 2kb3 s ASN 95 CO -0.02 -0.08 0.84 -0.62 0.02 0.00 0.00 177.10 177.25 2kb3 n GLU 96 N 4.15 -5.47 -0.88 -0.60 1.02 -1.26 -1.09 120.64 116.51 2kb3 n GLU 96 Ca -0.24 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2kb3 n GLU 96 Cb 0.51 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.62 0.89 3.70 0.62 0.00 -1.26 -5.01 105.19 102.50 2kb3 n GLY 97 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.12 3.94 -0.26 1.61 0.41 -0.25 -5.05 118.70 118.98 2kb3 s GLU 98 Ca 0.00 -0.28 -0.07 0.00 -0.41 0.00 0.00 54.97 54.22 2kb3 s GLU 98 Cb 0.00 -3.26 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 2kb3 s GLU 98 CO 0.00 0.37 0.06 -0.06 -0.49 0.00 0.00 175.26 175.14 2kb3 s PHE 99 N 0.12 3.08 0.02 1.61 0.40 -1.26 -0.99 117.98 120.96 2kb3 s PHE 99 Ca 0.07 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 2kb3 s PHE 99 Cb -0.12 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 2kb3 s PHE 99 CO -0.00 -0.44 -0.16 -1.83 0.70 0.00 0.00 175.22 173.49 2kb3 s GLU 100 N 1.57 1.17 -0.22 0.44 -1.05 0.09 0.09 118.70 120.78 2kb3 s GLU 100 Ca 0.05 -0.69 -0.06 0.00 -0.15 0.00 0.00 54.97 54.12 2kb3 s GLU 100 Cb -0.16 -1.17 -0.03 0.00 -0.44 0.00 0.00 34.13 32.33 2kb3 s GLU 100 CO 0.02 0.31 0.04 0.08 0.95 0.00 0.00 175.26 176.66 2kb3 s VAL 101 N -0.60 4.26 -0.17 1.83 1.01 0.56 -0.39 120.40 126.89 2kb3 s VAL 101 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2kb3 s VAL 101 Cb -0.07 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2kb3 s VAL 101 CO 0.00 0.39 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 2kb3 s VAL 102 N 1.15 2.17 0.00 2.92 1.01 0.48 -0.95 120.40 127.19 2kb3 s VAL 102 Ca 0.04 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 2kb3 s VAL 102 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2kb3 s VAL 102 CO 0.03 0.53 0.84 -0.62 0.00 0.00 0.00 175.10 175.88 2kb3 s ASP 103 N 1.19 7.23 0.00 3.32 -1.08 0.12 -0.29 116.67 127.16 2kb3 s ASP 103 Ca 0.02 1.48 0.00 0.00 -0.52 0.00 0.00 52.55 53.53 2kb3 s ASP 103 Cb -0.14 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2kb3 s ASP 103 CO -0.10 -0.13 0.00 1.33 0.52 0.00 0.00 175.17 176.80 2kb3 n VAL 104 N 3.47 0.00 -3.05 1.11 0.24 -0.18 -4.79 118.33 115.14 2kb3 n VAL 104 Ca 0.01 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2kb3 n VAL 104 Cb 0.51 0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 2kb3 n VAL 104 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kb3 s GLY 105 N -1.10 -0.84 -1.10 7.63 0.00 0.26 -4.95 107.32 107.22 2kb3 s GLY 105 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.97 2kb3 s GLY 105 CO 0.00 3.38 1.94 -0.56 0.00 0.00 0.00 173.10 177.86 2kb3 s SER 106 N 1.16 5.05 -0.10 1.64 0.01 -1.26 -4.15 113.70 116.06 2kb3 s SER 106 Ca 0.24 -1.37 -0.27 0.00 1.31 0.00 0.00 55.95 55.86 2kb3 s SER 106 Cb -0.03 -2.58 -0.25 0.00 0.21 0.00 0.00 66.02 63.37 2kb3 s SER 106 CO -0.07 -3.00 0.92 0.25 0.41 0.00 0.00 173.24 171.76 2kb3 h LEU 107 N 17.82 0.06 0.00 2.44 5.85 -1.90 -3.38 115.31 136.21 2kb3 h LEU 107 Ca 0.18 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2kb3 h LEU 107 Cb 0.96 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2kb3 h LEU 107 CO 1.22 0.91 -1.80 -3.20 -0.34 0.00 0.00 178.44 175.23 2kb3 n ASN 108 N -4.62 0.62 0.00 1.25 2.85 -1.26 -0.99 115.26 113.10 2kb3 n ASN 108 Ca -0.10 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2kb3 n ASN 108 Cb 0.45 1.81 0.00 0.00 1.24 0.00 0.00 39.78 43.28 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb3 n GLY 109 N 1.41 1.04 3.72 8.20 0.00 -1.26 -3.97 105.19 114.33 2kb3 n GLY 109 Ca -0.03 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N 0.00 5.05 -0.06 2.61 2.01 -1.26 -4.21 115.64 119.78 2kb3 s THR 110 Ca 0.00 1.37 0.03 0.00 0.31 0.00 0.00 61.69 63.40 2kb3 s THR 110 Cb 0.00 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.51 2kb3 s THR 110 CO 0.00 0.28 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.76 2kb3 s TYR 111 N 0.69 1.52 -0.11 4.92 1.51 -0.80 -3.78 117.35 121.29 2kb3 s TYR 111 Ca 0.36 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 2kb3 s TYR 111 Cb -0.17 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2kb3 s TYR 111 CO 0.17 -0.23 -0.22 0.08 -1.11 0.00 0.00 175.55 174.24 2kb3 s VAL 112 N 0.41 1.98 -1.47 0.71 1.01 0.36 -0.93 120.40 122.48 2kb3 s VAL 112 Ca -0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 2kb3 s VAL 112 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2kb3 s VAL 112 CO 0.03 0.54 0.71 0.59 0.00 0.00 0.00 175.10 176.97 2kb3 n ASN 113 N 3.79 -5.51 -0.56 3.32 3.02 0.19 -1.64 115.26 117.88 2kb3 n ASN 113 Ca -0.20 -0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 53.89 2kb3 n ASN 113 Cb 0.52 -4.44 -0.03 0.00 -0.61 0.00 0.00 39.78 35.22 2kb3 n ASN 113 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kb3 n ARG 114 N -4.19 -1.78 -4.22 3.52 0.63 -0.77 -4.87 116.66 104.97 2kb3 n ARG 114 Ca -0.06 0.67 -0.31 0.00 -0.92 0.00 0.00 57.85 57.23 2kb3 n ARG 114 Cb 0.58 -4.94 -0.09 0.00 0.45 0.00 0.00 32.46 28.46 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kb3 s GLU 115 N -2.40 2.57 0.07 -0.14 2.02 -0.65 -4.79 118.70 115.38 2kb3 s GLU 115 Ca 0.00 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 53.90 2kb3 s GLU 115 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 2kb3 s GLU 115 CO 0.00 0.57 1.83 -1.25 0.02 0.00 0.00 175.26 176.42 2kb3 s PRO 116 N -1.99 4.15 -0.27 0.39 0.04 -1.26 -0.48 135.00 135.57 2kb3 s PRO 116 Ca 0.23 2.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.56 2kb3 s PRO 116 Cb -0.12 -3.80 0.08 0.00 0.04 0.00 0.00 34.50 30.70 2kb3 s PRO 116 CO 0.14 -0.86 0.75 0.50 0.04 0.00 0.00 177.00 177.58 2kb3 s ARG 117 N 3.36 0.76 -0.23 4.56 6.06 -1.25 -4.86 118.95 127.34 2kb3 s ARG 117 Ca 0.81 1.01 -0.15 0.00 -2.50 0.00 0.00 55.73 54.90 2kb3 s ARG 117 Cb -0.43 0.31 -0.09 0.00 0.06 0.00 0.00 34.95 34.80 2kb3 s ARG 117 CO 0.37 -0.11 -0.35 0.09 -2.50 0.00 0.00 175.30 172.80 2kb3 n ASN 118 N 3.13 1.91 -4.24 -2.12 4.13 -1.26 -4.35 115.26 112.45 2kb3 n ASN 118 Ca -0.16 0.33 -0.31 0.00 1.68 0.00 0.00 54.58 56.12 2kb3 n ASN 118 Cb 0.56 -0.77 -0.16 0.00 -1.54 0.00 0.00 39.78 37.87 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.64 2.07 -0.20 5.41 0.00 -1.26 0.11 121.76 125.25 2kb3 s ALA 119 Ca -0.34 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 2kb3 s ALA 119 Cb 0.11 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2kb3 s ALA 119 CO 0.45 0.38 0.53 -1.14 0.00 0.00 0.00 175.76 175.98 2kb3 s GLN 120 N -0.06 0.63 -0.08 0.00 2.00 -0.13 -5.01 119.66 117.02 2kb3 s GLN 120 Ca -0.06 0.72 -0.30 0.00 -2.00 0.00 0.00 55.36 53.73 2kb3 s GLN 120 Cb -0.14 0.30 -0.03 0.00 0.80 0.00 0.00 33.01 33.95 2kb3 s GLN 120 CO 0.04 -0.08 1.18 0.08 -0.50 0.00 0.00 175.29 176.01 2kb3 s VAL 121 N 0.25 4.33 0.09 1.34 1.01 -1.26 -0.32 120.40 125.83 2kb3 s VAL 121 Ca -0.00 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 2kb3 s VAL 121 Cb -0.04 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2kb3 s VAL 121 CO 0.01 -0.02 0.55 -0.32 0.00 0.00 0.00 175.10 175.32 2kb3 s MET 122 N 2.36 4.13 0.22 2.72 1.75 0.11 -4.93 119.30 125.66 2kb3 s MET 122 Ca 0.55 0.65 0.10 0.00 -1.25 0.00 0.00 55.69 55.74 2kb3 s MET 122 Cb -0.23 -3.16 -0.04 0.00 2.84 0.00 0.00 34.83 34.23 2kb3 s MET 122 CO 0.20 0.60 -0.09 1.14 -0.65 0.00 0.00 175.02 176.23 2kb3 s GLN 123 N -1.31 2.05 0.11 4.11 -2.07 -1.26 -4.56 119.66 116.72 2kb3 s GLN 123 Ca 0.31 -1.40 -0.31 0.00 -1.82 0.00 0.00 55.36 52.13 2kb3 s GLN 123 Cb -0.18 -2.09 -0.08 0.00 -1.09 0.00 0.00 33.01 29.58 2kb3 s GLN 123 CO 0.19 0.40 1.35 -0.08 -1.32 0.00 0.00 175.29 175.82 2kb3 s THR 124 N -2.02 3.41 0.00 3.63 -1.32 -1.26 -1.75 115.64 116.34 2kb3 s THR 124 Ca 0.27 1.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.78 2kb3 s THR 124 Cb -0.07 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2kb3 s THR 124 CO 0.16 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 2kb3 n GLY 125 N 3.38 0.56 3.74 6.08 0.00 0.14 -4.86 105.19 114.23 2kb3 n GLY 125 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.90 7.34 -0.15 1.61 -1.08 -0.72 -4.17 116.67 116.61 2kb3 s ASP 126 Ca 0.00 2.10 0.02 0.00 -0.52 0.00 0.00 52.55 54.15 2kb3 s ASP 126 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 2kb3 s ASP 126 CO 0.00 -0.13 -0.21 -1.83 0.52 0.00 0.00 175.17 173.52 2kb3 s GLU 127 N -0.76 3.04 -0.15 4.34 -1.05 -1.26 -0.98 118.70 121.87 2kb3 s GLU 127 Ca 0.47 -0.84 -0.04 0.00 -0.15 0.00 0.00 54.97 54.41 2kb3 s GLU 127 Cb -0.29 -2.48 -0.03 0.00 -0.44 0.00 0.00 34.13 30.89 2kb3 s GLU 127 CO 0.36 -0.04 -0.02 0.42 0.95 0.00 0.00 175.26 176.92 2kb3 s ILE 128 N 0.89 4.05 -0.21 1.83 1.01 0.83 0.57 121.20 130.16 2kb3 s ILE 128 Ca -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2kb3 s ILE 128 Cb -0.15 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.56 2kb3 s ILE 128 CO -0.03 0.51 -0.10 -1.58 0.00 0.00 0.00 174.94 173.73 2kb3 s GLN 129 N 0.15 3.13 -0.29 2.79 2.00 -0.10 -0.26 119.66 127.07 2kb3 s GLN 129 Ca -0.00 -0.77 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 2kb3 s GLN 129 Cb -0.13 -2.84 0.09 0.00 0.80 0.00 0.00 33.01 30.92 2kb3 s GLN 129 CO 0.02 -0.24 0.05 0.42 -0.50 0.00 0.00 175.29 175.04 2kb3 s ILE 130 N 1.38 1.30 0.00 -2.34 1.09 -0.15 -1.91 121.20 120.57 2kb3 s ILE 130 Ca 0.04 -1.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 2kb3 s ILE 130 Cb -0.14 -1.87 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 2kb3 s ILE 130 CO -0.07 -0.51 0.00 0.61 -0.10 0.00 0.00 174.94 174.87 2kb3 n GLY 131 N 4.69 0.95 0.70 6.18 0.00 -1.26 0.24 105.19 116.69 2kb3 n GLY 131 Ca -0.03 0.70 0.08 0.00 0.00 0.00 0.00 46.02 46.76 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 1.56 -3.61 1.61 2.85 -1.26 -3.81 118.16 115.49 2kb3 n LYS 132 Ca 0.00 -1.63 -0.37 0.00 -1.05 0.00 0.00 58.31 55.26 2kb3 n LYS 132 Cb 0.00 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 32.99 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N -1.27 3.57 -0.10 5.58 0.40 0.14 -3.49 117.98 122.81 2kb3 s PHE 133 Ca 0.22 0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.23 2kb3 s PHE 133 Cb 0.14 -2.23 0.03 0.00 0.51 0.00 0.00 43.02 41.47 2kb3 s PHE 133 CO 0.21 0.48 -0.05 0.50 0.70 0.00 0.00 175.22 177.06 2kb3 s ARG 134 N -0.35 1.19 -0.10 0.44 3.52 0.06 -0.98 118.95 122.73 2kb3 s ARG 134 Ca 0.18 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.65 2kb3 s ARG 134 Cb -0.14 -1.35 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 2kb3 s ARG 134 CO 0.07 -0.28 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.72 2kb3 s LEU 135 N 1.79 3.27 -0.20 -0.88 1.43 0.64 0.09 118.68 124.82 2kb3 s LEU 135 Ca 0.05 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2kb3 s LEU 135 Cb -0.12 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2kb3 s LEU 135 CO -0.07 0.30 -0.12 -0.69 0.23 0.00 0.00 176.35 176.00 2kb3 s VAL 136 N -0.43 2.72 -0.32 -1.59 1.01 0.25 -0.12 120.40 121.92 2kb3 s VAL 136 Ca 0.07 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2kb3 s VAL 136 Cb -0.12 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2kb3 s VAL 136 CO 0.02 0.48 0.29 0.12 0.00 0.00 0.00 175.10 176.02 2kb3 s PHE 137 N 1.37 3.22 0.02 5.22 5.36 -0.15 -0.57 117.98 132.44 2kb3 s PHE 137 Ca 0.05 0.03 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 2kb3 s PHE 137 Cb -0.14 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 2kb3 s PHE 137 CO -0.08 -0.32 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.77 2kb3 s LEU 138 N 1.89 2.11 -0.28 6.12 1.43 0.33 0.26 118.68 130.55 2kb3 s LEU 138 Ca 0.10 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 2kb3 s LEU 138 Cb -0.16 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 2kb3 s LEU 138 CO 0.11 -0.01 0.37 0.00 0.23 0.00 0.00 176.35 177.05 2kb3 s ALA 139 N -0.63 3.56 0.11 4.21 0.00 -1.26 -0.40 121.76 127.34 2kb3 s ALA 139 Ca -0.01 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.15 2kb3 s ALA 139 Cb -0.06 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2kb3 s ALA 139 CO 0.00 -0.69 -0.15 0.20 0.00 0.00 0.00 175.76 175.13 2kb3 s GLY 140 N 1.65 1.04 0.84 0.00 0.00 -1.26 -4.69 107.32 104.90 2kb3 s GLY 140 Ca 0.14 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 2kb3 s GLY 140 CO 0.10 -1.27 1.09 -4.14 0.00 0.00 0.00 173.10 168.88 2kb3 s PRO 141 N -2.40 1.72 0.00 2.90 0.02 -1.26 -4.03 135.00 131.95 2kb3 s PRO 141 Ca 0.06 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.89 2kb3 s PRO 141 Cb -0.06 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2kb3 s PRO 141 CO 0.03 -1.92 0.00 0.00 -0.33 0.00 0.00 177.00 174.78 2kb3 n ALA 142 N -3.66 -1.12 -1.16 -1.55 0.00 -1.26 -4.99 120.51 106.78 2kb3 n ALA 142 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kb3 n ALA 142 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59