#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 5.00 -0.06 3.17 7.64 -1.26 -4.66 113.62 123.46 2kb3 n SER 2 Ca 0.00 -2.96 -0.06 0.00 1.01 0.00 0.00 58.87 56.86 2kb3 n SER 2 Cb 0.00 -1.64 -0.06 0.00 -1.01 0.00 0.00 64.21 61.50 2kb3 n SER 2 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kb3 h ASP 3 N 7.12 0.00 -4.59 6.43 1.82 -2.07 -3.50 116.42 121.63 2kb3 h ASP 3 Ca 0.40 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kb3 h ASP 3 Cb 0.83 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.79 2kb3 h ASP 3 CO 1.41 0.74 -1.00 -3.20 -1.61 0.00 0.00 179.24 175.58 2kb3 n ASN 4 N -4.70 -3.76 0.05 2.28 5.15 -1.26 -5.04 115.26 107.98 2kb3 n ASN 4 Ca -0.05 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 2kb3 n ASN 4 Cb 0.22 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 2kb3 n ASN 4 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2kb3 n ASN 5 N 0.92 -0.12 -2.66 1.20 5.15 -1.26 -5.02 115.26 113.46 2kb3 n ASN 5 Ca -0.16 0.17 -0.03 0.00 -0.60 0.00 0.00 54.58 53.96 2kb3 n ASN 5 Cb 0.25 0.20 0.11 0.00 -0.53 0.00 0.00 39.78 39.81 2kb3 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 6 N 1.38 -1.35 3.61 8.20 0.00 -1.26 -5.10 105.19 110.66 2kb3 n GLY 6 Ca 0.00 0.77 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 7 N 0.05 4.24 0.05 2.61 2.01 -1.26 -4.99 115.64 118.36 2kb3 s THR 7 Ca 0.19 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 2kb3 s THR 7 Cb 0.28 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2kb3 s THR 7 CO -0.18 -0.90 1.02 -2.16 -0.69 0.00 0.00 174.62 171.71 2kb3 s PRO 8 N 4.33 4.57 -0.01 4.92 0.04 -1.26 -5.04 135.00 142.56 2kb3 s PRO 8 Ca 0.48 1.51 0.07 0.00 0.04 0.00 0.00 61.00 63.11 2kb3 s PRO 8 Cb -0.08 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2kb3 s PRO 8 CO 0.29 -0.02 -0.22 -1.83 0.04 0.00 0.00 177.00 175.26 2kb3 s GLU 9 N 0.67 2.18 0.44 4.56 -1.05 -1.26 -5.10 118.70 119.14 2kb3 s GLU 9 Ca 0.52 -0.89 -0.25 0.00 -0.15 0.00 0.00 54.97 54.20 2kb3 s GLU 9 Cb -0.24 -2.14 -0.08 0.00 -0.44 0.00 0.00 34.13 31.23 2kb3 s GLU 9 CO 0.29 0.57 1.30 -1.25 0.95 0.00 0.00 175.26 177.12 2kb3 s PRO 10 N -0.80 3.77 0.11 -4.83 0.04 -1.26 -5.00 135.00 127.03 2kb3 s PRO 10 Ca 0.11 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 2kb3 s PRO 10 Cb -0.10 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.77 2kb3 s PRO 10 CO 0.00 -0.64 0.48 -0.65 0.04 0.00 0.00 177.00 176.23 2kb3 s GLN 11 N -2.45 3.89 -0.14 4.56 -1.52 -1.26 -5.06 119.66 117.69 2kb3 s GLN 11 Ca 0.61 0.37 -0.04 0.00 -1.95 0.00 0.00 55.36 54.34 2kb3 s GLN 11 Cb -0.37 -2.98 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 2kb3 s GLN 11 CO 0.47 0.52 -0.00 0.08 -0.25 0.00 0.00 175.29 176.11 2kb3 s VAL 12 N -1.41 4.24 -0.01 1.09 1.01 -1.26 -5.07 120.40 118.99 2kb3 s VAL 12 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2kb3 s VAL 12 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2kb3 s VAL 12 CO 0.18 0.52 0.10 -0.70 0.00 0.00 0.00 175.10 175.21 2kb3 s GLU 13 N -0.05 0.35 0.22 2.72 2.12 -1.26 -5.15 118.70 117.64 2kb3 s GLU 13 Ca 0.03 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2kb3 s GLU 13 Cb -0.13 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.43 2kb3 s GLU 13 CO 0.02 -0.07 0.22 2.41 -0.54 0.00 0.00 175.26 177.30 2kb3 n THR 14 N 1.95 0.00 -3.76 -1.70 -1.04 -1.26 -5.03 114.28 103.45 2kb3 n THR 14 Ca -0.20 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.05 60.89 2kb3 n THR 14 Cb 0.56 -0.54 -0.13 0.00 -1.82 0.00 0.00 70.33 68.41 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N -2.30 -0.22 -0.34 8.00 0.01 -1.26 -5.02 113.70 112.57 2kb3 s SER 16 Ca 0.17 0.44 -0.21 0.00 1.31 0.00 0.00 55.95 57.66 2kb3 s SER 16 Cb -0.01 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2kb3 s SER 16 CO 0.11 -0.13 0.67 -0.69 0.41 0.00 0.00 173.24 173.61 2kb3 s VAL 17 N 0.87 4.87 -0.03 3.43 1.01 -1.26 -4.89 120.40 124.40 2kb3 s VAL 17 Ca -0.06 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2kb3 s VAL 17 Cb -0.08 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2kb3 s VAL 17 CO -0.05 -0.29 -0.23 0.72 0.00 0.00 0.00 175.10 175.25 2kb3 s PHE 18 N 2.77 2.10 -0.42 5.22 -0.12 -1.26 -5.06 117.98 121.21 2kb3 s PHE 18 Ca 0.26 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 2kb3 s PHE 18 Cb -0.14 -1.37 0.11 0.00 -0.63 0.00 0.00 43.02 40.99 2kb3 s PHE 18 CO 0.14 -0.11 0.17 0.50 -0.05 0.00 0.00 175.22 175.88 2kb3 s ARG 19 N -0.34 1.84 0.00 1.99 3.52 -1.26 -4.89 118.95 119.81 2kb3 s ARG 19 Ca 0.03 -2.05 0.00 0.00 -0.13 0.00 0.00 55.73 53.58 2kb3 s ARG 19 Cb -0.11 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 2kb3 s ARG 19 CO 0.01 -1.03 0.00 0.00 -0.81 0.00 0.00 175.30 173.47 2kb3 n ALA 20 N 4.09 0.00 0.11 6.12 0.00 -1.26 -4.87 120.51 124.70 2kb3 n ALA 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kb3 n ALA 20 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2kb3 n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kb3 n ASP 21 N -1.75 0.00 0.33 0.00 2.03 -1.26 -4.14 116.55 111.75 2kb3 n ASP 21 Ca 0.00 -0.11 0.19 0.00 0.52 0.00 0.00 54.79 55.39 2kb3 n ASP 21 Cb 0.00 0.00 0.99 0.00 -0.72 0.00 0.00 41.12 41.39 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 0.00 0.00 -0.35 -2.67 8.10 -1.89 0.54 115.31 119.04 2kb3 h LEU 22 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2kb3 h LEU 22 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2kb3 h LEU 22 CO 0.00 0.00 -0.04 -0.07 -4.11 0.00 0.00 178.44 174.22 2kb3 h LEU 23 N 0.00 0.65 0.00 0.17 3.38 -1.92 -1.58 115.31 116.01 2kb3 h LEU 23 Ca 0.01 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2kb3 h LEU 23 Cb 0.38 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kb3 h LEU 23 CO -0.00 0.83 -0.36 0.11 0.09 0.00 0.00 178.44 179.11 2kb3 h LYS 24 N 0.45 0.00 -0.27 1.13 1.57 -1.29 0.04 116.57 118.20 2kb3 h LYS 24 Ca 0.09 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2kb3 h LYS 24 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 2kb3 h LYS 24 CO 0.03 0.10 0.05 1.49 -0.57 0.00 0.00 179.45 180.55 2kb3 h GLU 25 N 0.00 0.14 -0.10 3.15 4.57 -1.10 0.33 114.58 121.57 2kb3 h GLU 25 Ca -0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2kb3 h GLU 25 Cb 1.10 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2kb3 h GLU 25 CO 0.01 0.09 -0.06 1.98 -1.18 0.00 0.00 179.01 179.86 2kb3 h MET 26 N 0.15 0.21 -0.39 1.92 4.05 -1.10 -2.12 114.93 117.66 2kb3 h MET 26 Ca 0.12 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 2kb3 h MET 26 Cb 0.13 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.86 2kb3 h MET 26 CO -0.17 0.58 -0.08 1.49 0.23 0.00 0.00 176.91 178.97 2kb3 h GLU 27 N -0.17 0.02 0.00 0.39 4.81 -0.74 -0.83 114.58 118.06 2kb3 h GLU 27 Ca 0.02 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 2kb3 h GLU 27 Cb 0.53 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2kb3 h GLU 27 CO 0.02 0.01 -1.12 1.03 -0.73 0.00 0.00 179.01 178.22 2kb3 h SER 28 N 0.02 0.00 1.51 1.04 0.87 -1.00 -3.31 113.55 112.68 2kb3 h SER 28 Ca 0.19 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2kb3 h SER 28 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2kb3 h SER 28 CO -0.38 0.78 -0.50 -1.28 -0.53 0.00 0.00 176.83 174.92 2kb3 h SER 29 N 0.00 0.00 -2.99 6.23 0.87 -1.11 -3.43 113.55 113.12 2kb3 h SER 29 Ca -0.10 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.89 2kb3 h SER 29 Cb 1.69 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.61 2kb3 h SER 29 CO 0.08 0.23 1.13 -0.89 -0.53 0.00 0.00 176.83 176.85 2kb3 s THR 30 N -3.12 3.76 0.00 2.23 2.01 -0.34 -2.75 115.64 117.43 2kb3 s THR 30 Ca 0.04 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2kb3 s THR 30 Cb 0.07 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2kb3 s THR 30 CO 0.73 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2kb3 n GLY 31 N 5.02 1.85 3.62 4.40 0.00 -1.26 -4.98 105.19 113.84 2kb3 n GLY 31 Ca 0.19 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 5.14 -0.21 2.61 2.01 -1.11 -5.04 115.64 119.05 2kb3 s THR 32 Ca 0.00 0.68 -0.00 0.00 0.31 0.00 0.00 61.69 62.68 2kb3 s THR 32 Cb 0.00 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.82 2kb3 s THR 32 CO 0.00 0.14 -0.04 0.00 -0.69 0.00 0.00 174.62 174.03 2kb3 s ALA 33 N 2.07 1.68 0.38 7.40 0.00 -1.26 -5.08 121.76 126.94 2kb3 s ALA 33 Ca 0.17 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2kb3 s ALA 33 Cb -0.16 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 2kb3 s ALA 33 CO 0.09 -1.04 1.32 -2.14 0.00 0.00 0.00 175.76 174.00 2kb3 s PRO 34 N 1.54 4.12 0.17 0.00 0.02 -1.26 -5.04 135.00 134.53 2kb3 s PRO 34 Ca -0.03 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.24 2kb3 s PRO 34 Cb -0.17 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 2kb3 s PRO 34 CO -0.07 -0.39 -0.04 0.00 -0.33 0.00 0.00 177.00 176.17 2kb3 s ALA 35 N -1.21 1.42 -2.03 -1.55 0.00 -1.26 -4.85 121.76 112.28 2kb3 s ALA 35 Ca 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2kb3 s ALA 35 Cb -0.39 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2kb3 s ALA 35 CO 0.52 -0.23 0.00 0.43 0.00 0.00 0.00 175.76 176.48 2kb3 n SER 36 N -0.24 -5.31 -4.52 0.00 7.64 -1.26 -4.93 113.62 105.01 2kb3 n SER 36 Ca -0.08 0.47 -0.43 0.00 1.01 0.00 0.00 58.87 59.84 2kb3 n SER 36 Cb 0.62 -4.49 -0.06 0.00 -1.01 0.00 0.00 64.21 59.26 2kb3 n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb3 s THR 37 N -2.71 4.77 -0.58 0.44 2.01 -1.26 -4.94 115.64 113.37 2kb3 s THR 37 Ca 0.00 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2kb3 s THR 37 Cb 0.00 -4.24 0.38 0.00 0.01 0.00 0.00 72.50 68.65 2kb3 s THR 37 CO 0.00 -0.64 1.22 0.61 -0.69 0.00 0.00 174.62 175.12 2kb3 n GLY 38 N 5.02 5.84 0.16 4.40 0.00 -1.26 -4.60 105.19 114.76 2kb3 n GLY 38 Ca -0.01 -2.73 0.12 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.38 3.34 1.31 4.61 0.00 -1.26 -4.19 120.51 123.93 2kb3 n ALA 39 Ca 0.39 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kb3 n ALA 39 Cb 0.49 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.95 0.82 0.00 0.00 0.28 -1.26 -2.58 120.64 116.95 2kb3 n GLU 40 Ca 0.09 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.19 2kb3 n GLU 40 Cb 0.35 -1.17 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 2kb3 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kb3 n ASN 41 N -0.26 1.63 -2.18 -1.84 4.13 -1.26 -5.05 115.26 110.44 2kb3 n ASN 41 Ca 0.00 -1.31 -0.02 0.00 1.68 0.00 0.00 54.58 54.93 2kb3 n ASN 41 Cb 0.08 0.59 -0.01 0.00 -1.54 0.00 0.00 39.78 38.90 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N -0.37 -5.00 0.00 3.41 7.99 -1.07 -5.03 117.00 116.95 2kb3 n LEU 42 Ca 0.07 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.17 2kb3 n LEU 42 Cb 0.38 -2.36 0.00 0.00 -0.11 0.00 0.00 43.42 41.33 2kb3 n LEU 42 CO 0.27 -2.13 0.20 -0.81 -1.51 0.00 0.00 177.39 173.41 2kb3 n PRO 43 N 0.70 0.00 -0.24 3.23 -0.04 -1.26 -4.34 135.00 133.05 2kb3 n PRO 43 Ca -0.12 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2kb3 n PRO 43 Cb 0.19 -1.04 0.26 0.00 -0.04 0.00 0.00 33.50 32.86 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 44 N -1.40 2.42 -1.21 0.55 0.00 -0.97 -4.92 120.51 114.97 2kb3 n ALA 44 Ca 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 2kb3 n ALA 44 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 1.52 0.92 3.37 0.00 0.00 -1.26 -4.73 105.19 105.01 2kb3 n GLY 45 Ca 0.20 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.70 1.65 0.05 1.61 0.01 -1.26 -5.05 113.70 108.00 2kb3 s SER 46 Ca 0.00 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2kb3 s SER 46 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2kb3 s SER 46 CO 0.00 -0.68 -0.05 0.00 0.41 0.00 0.00 173.24 172.93 2kb3 s ALA 47 N -3.57 0.46 0.10 1.44 0.00 -1.26 -1.05 121.76 117.88 2kb3 s ALA 47 Ca 0.37 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2kb3 s ALA 47 Cb 0.08 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2kb3 s ALA 47 CO 0.14 -0.20 -0.03 -0.48 0.00 0.00 0.00 175.76 175.19 2kb3 s LEU 48 N -2.16 2.36 -0.01 0.00 -0.00 0.67 -0.54 118.68 119.00 2kb3 s LEU 48 Ca -0.04 -1.05 0.05 0.00 -0.00 0.00 0.00 54.13 53.09 2kb3 s LEU 48 Cb -0.02 0.06 -0.01 0.00 -0.00 0.00 0.00 46.19 46.21 2kb3 s LEU 48 CO -0.04 -0.55 -0.16 -1.48 -0.00 0.00 0.00 176.35 174.11 2kb3 s LEU 49 N -3.03 2.02 -0.07 1.48 0.05 0.52 -0.55 118.68 119.11 2kb3 s LEU 49 Ca 0.14 -0.30 0.05 0.00 0.05 0.00 0.00 54.13 54.07 2kb3 s LEU 49 Cb 0.06 -0.85 -0.01 0.00 -2.05 0.00 0.00 46.19 43.34 2kb3 s LEU 49 CO -0.04 0.20 -0.24 -0.69 -0.55 0.00 0.00 176.35 175.02 2kb3 s VAL 50 N -0.35 2.09 -0.31 1.48 1.01 0.38 -0.75 120.40 123.95 2kb3 s VAL 50 Ca 0.06 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 2kb3 s VAL 50 Cb -0.07 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2kb3 s VAL 50 CO -0.00 0.57 0.83 -0.69 0.00 0.00 0.00 175.10 175.81 2kb3 s VAL 51 N -0.01 4.75 -0.20 2.92 1.01 0.57 -0.06 120.40 129.38 2kb3 s VAL 51 Ca -0.08 1.28 0.16 0.00 0.00 0.00 0.00 61.98 63.34 2kb3 s VAL 51 Cb -0.15 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.80 2kb3 s VAL 51 CO 0.05 -0.28 0.05 1.17 0.00 0.00 0.00 175.10 176.09 2kb3 n LYS 52 N 6.30 0.69 -3.98 2.72 4.81 0.93 -0.42 118.16 129.20 2kb3 n LYS 52 Ca 0.05 0.01 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 2kb3 n LYS 52 Cb 0.48 -1.52 -0.16 0.00 0.02 0.00 0.00 35.03 33.85 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb3 s ARG 53 N -2.49 0.34 0.00 1.64 3.52 -1.06 -4.76 118.95 116.13 2kb3 s ARG 53 Ca -0.12 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2kb3 s ARG 53 Cb 0.06 -0.46 0.00 0.00 -1.56 0.00 0.00 34.95 32.99 2kb3 s ARG 53 CO 0.81 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 2kb3 n GLY 54 N 3.88 2.09 0.38 8.12 0.00 -1.26 -1.04 105.19 117.36 2kb3 n GLY 54 Ca -0.24 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 2kb3 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 h PRO 55 N 0.00 1.27 -0.75 1.61 0.13 -1.91 -2.58 132.00 129.76 2kb3 h PRO 55 Ca 0.00 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2kb3 h PRO 55 Cb 0.00 -0.29 -0.05 0.00 0.13 0.00 0.00 31.00 30.79 2kb3 h PRO 55 CO 0.00 0.84 0.11 0.27 -0.23 0.00 0.00 178.00 178.99 2kb3 n ASN 56 N -4.39 4.42 -4.76 1.44 6.94 -1.26 -4.96 115.26 112.68 2kb3 n ASN 56 Ca 0.12 -2.83 -0.39 0.00 -0.02 0.00 0.00 54.58 51.45 2kb3 n ASN 56 Cb 0.02 -0.67 0.01 0.00 -2.36 0.00 0.00 39.78 36.79 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.40 3.14 0.00 -2.53 0.00 -0.98 -2.85 121.76 116.15 2kb3 s ALA 57 Ca 0.42 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2kb3 s ALA 57 Cb 0.33 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2kb3 s ALA 57 CO 0.11 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2kb3 n GLY 58 N 0.63 2.62 3.72 0.00 0.00 0.43 -4.99 105.19 107.59 2kb3 n GLY 58 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.53 3.21 -0.03 4.61 0.00 -1.13 -4.86 121.76 121.03 2kb3 s ALA 59 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.52 2kb3 s ALA 59 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2kb3 s ALA 59 CO 0.00 -0.13 -0.18 -0.98 0.00 0.00 0.00 175.76 174.47 2kb3 s ARG 60 N 0.57 1.72 0.00 0.00 1.70 -1.26 -0.31 118.95 121.36 2kb3 s ARG 60 Ca 0.49 -0.63 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 2kb3 s ARG 60 Cb -0.22 -1.54 -0.01 0.00 -0.57 0.00 0.00 34.95 32.61 2kb3 s ARG 60 CO 0.28 0.30 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.62 2kb3 s PHE 61 N -0.12 1.05 -0.04 5.89 0.08 0.07 -4.99 117.98 119.92 2kb3 s PHE 61 Ca -0.00 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 2kb3 s PHE 61 Cb -0.10 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2kb3 s PHE 61 CO 0.01 -0.01 0.13 -0.48 -0.10 0.00 0.00 175.22 174.77 2kb3 s LEU 62 N -0.44 4.16 -0.29 -0.37 -0.00 -1.26 -0.35 118.68 120.13 2kb3 s LEU 62 Ca 0.04 0.30 -0.14 0.00 -0.00 0.00 0.00 54.13 54.33 2kb3 s LEU 62 Cb -0.05 -2.31 -0.03 0.00 -0.00 0.00 0.00 46.19 43.80 2kb3 s LEU 62 CO -0.00 0.31 0.31 -0.76 -0.00 0.00 0.00 176.35 176.21 2kb3 s LEU 63 N -1.57 4.14 0.00 1.48 1.43 0.30 -4.83 118.68 119.64 2kb3 s LEU 63 Ca 0.22 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2kb3 s LEU 63 Cb -0.12 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2kb3 s LEU 63 CO 0.12 -0.18 0.51 -0.90 0.23 0.00 0.00 176.35 176.12 2kb3 n ASP 64 N 5.26 0.94 -4.64 2.29 5.68 -1.26 -4.46 116.55 120.36 2kb3 n ASP 64 Ca -0.10 -1.20 -0.30 0.00 -0.50 0.00 0.00 54.79 52.68 2kb3 n ASP 64 Cb 0.51 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.40 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kb3 s GLN 65 N -0.20 2.43 0.31 0.11 -2.07 -1.26 -5.02 119.66 113.95 2kb3 s GLN 65 Ca 0.00 -0.87 0.26 0.00 -1.82 0.00 0.00 55.36 52.93 2kb3 s GLN 65 Cb 0.00 -2.47 0.98 0.00 -1.09 0.00 0.00 33.01 30.44 2kb3 s GLN 65 CO 0.00 0.54 1.77 -1.00 -1.32 0.00 0.00 175.29 175.28 2kb3 h PRO 66 N 3.68 0.00 -2.50 9.60 0.13 -1.93 -3.42 132.00 137.55 2kb3 h PRO 66 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2kb3 h PRO 66 Cb 1.17 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 2kb3 h PRO 66 CO 0.56 0.00 -0.31 0.99 -0.23 0.00 0.00 178.00 179.02 2kb3 s THR 67 N -3.33 -0.40 -0.22 1.56 2.01 -1.26 -0.14 115.64 113.87 2kb3 s THR 67 Ca 0.05 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2kb3 s THR 67 Cb 0.10 -0.69 0.04 0.00 0.01 0.00 0.00 72.50 71.97 2kb3 s THR 67 CO 0.47 0.05 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.43 2kb3 s THR 68 N 2.12 1.97 0.05 -0.82 2.01 0.69 -4.96 115.64 116.70 2kb3 s THR 68 Ca -0.05 -1.26 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 2kb3 s THR 68 Cb -0.10 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 2kb3 s THR 68 CO -0.14 0.18 0.60 -0.89 -0.69 0.00 0.00 174.62 173.68 2kb3 s THR 69 N 1.24 4.78 -0.07 -0.82 2.01 -1.26 -0.10 115.64 121.42 2kb3 s THR 69 Ca -0.03 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.30 2kb3 s THR 69 Cb -0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2kb3 s THR 69 CO -0.08 0.49 -0.21 0.00 -0.69 0.00 0.00 174.62 174.13 2kb3 s ALA 70 N -0.70 2.32 0.00 7.40 0.00 0.52 -3.30 121.76 127.99 2kb3 s ALA 70 Ca 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2kb3 s ALA 70 Cb -0.19 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2kb3 s ALA 70 CO 0.19 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2kb3 n GLY 71 N 2.97 0.27 3.22 0.00 0.00 -1.18 -1.43 105.19 109.03 2kb3 n GLY 71 Ca -0.18 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.17 3.13 0.00 1.61 3.00 0.10 -1.17 118.95 124.45 2kb3 s ARG 72 Ca 0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 55.73 53.94 2kb3 s ARG 72 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 34.95 32.38 2kb3 s ARG 72 CO 0.00 -0.02 0.00 1.58 0.00 0.00 0.00 175.30 176.86 2kb3 n HIS 73 N 4.15 0.00 0.11 5.12 -0.00 -1.26 -3.43 115.22 119.91 2kb3 n HIS 73 Ca -0.20 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.00 2kb3 n HIS 73 Cb 0.51 0.00 0.34 0.00 -0.12 0.00 0.00 29.99 30.72 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2kb3 h PRO 74 N 0.00 0.23 -0.00 1.57 0.11 -1.97 -2.57 132.00 129.36 2kb3 h PRO 74 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2kb3 h PRO 74 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2kb3 h PRO 74 CO 0.00 0.45 -0.15 0.39 -0.21 0.00 0.00 178.00 178.48 2kb3 n GLU 75 N -4.20 0.55 -2.73 1.05 1.02 -1.26 -4.67 120.64 110.40 2kb3 n GLU 75 Ca -0.01 -0.20 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 2kb3 n GLU 75 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb3 s SER 76 N -2.59 6.54 0.24 1.62 0.01 -0.97 -4.74 113.70 113.81 2kb3 s SER 76 Ca 0.25 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 2kb3 s SER 76 Cb 0.20 -2.49 0.40 0.00 0.21 0.00 0.00 66.02 64.34 2kb3 s SER 76 CO 0.51 -1.15 1.79 -0.78 0.41 0.00 0.00 173.24 174.02 2kb3 h ASP 77 N 9.16 0.57 -3.54 2.44 1.82 -1.82 -3.33 116.42 121.72 2kb3 h ASP 77 Ca -0.24 0.06 -0.71 0.00 -0.39 0.00 0.00 57.03 55.76 2kb3 h ASP 77 Cb 1.07 -0.04 -0.27 0.00 0.68 0.00 0.00 39.33 40.76 2kb3 h ASP 77 CO 1.07 0.31 -0.51 0.27 -1.61 0.00 0.00 179.24 178.77 2kb3 s ILE 78 N -6.03 4.19 -0.17 2.25 -4.36 -1.24 -5.06 121.20 110.78 2kb3 s ILE 78 Ca -0.12 -1.21 -0.15 0.00 -0.26 0.00 0.00 60.65 58.90 2kb3 s ILE 78 Cb 0.19 -3.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 2kb3 s ILE 78 CO 0.77 -0.36 0.34 0.12 0.24 0.00 0.00 174.94 176.06 2kb3 s PHE 79 N 1.45 3.44 -0.10 1.37 2.19 -1.25 -3.13 117.98 121.95 2kb3 s PHE 79 Ca 0.02 0.64 -0.00 0.00 0.33 0.00 0.00 56.93 57.91 2kb3 s PHE 79 Cb -0.21 -2.42 -0.03 0.00 -1.31 0.00 0.00 43.02 39.05 2kb3 s PHE 79 CO 0.03 0.16 -0.09 -0.51 1.83 0.00 0.00 175.22 176.65 2kb3 s LEU 80 N 0.72 3.03 -0.06 6.12 1.43 -0.32 -4.94 118.68 124.65 2kb3 s LEU 80 Ca 0.18 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2kb3 s LEU 80 Cb -0.14 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2kb3 s LEU 80 CO 0.06 0.27 -0.17 -0.62 0.23 0.00 0.00 176.35 176.12 2kb3 s ASP 81 N -0.27 3.77 0.00 2.29 2.15 -1.26 -4.39 116.67 118.96 2kb3 s ASP 81 Ca 0.03 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2kb3 s ASP 81 Cb -0.13 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.54 2kb3 s ASP 81 CO 0.03 0.29 0.00 -0.67 -0.17 0.00 0.00 175.17 174.64 2kb3 n ASP 82 N 2.68 0.00 -0.11 -0.34 2.03 -1.26 -4.81 116.55 114.74 2kb3 n ASP 82 Ca -0.17 -0.22 -0.12 0.00 0.52 0.00 0.00 54.79 54.80 2kb3 n ASP 82 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kb3 h VAL 83 N 0.22 1.29 -1.35 5.18 2.07 -2.00 -3.42 116.25 118.24 2kb3 h VAL 83 Ca 0.00 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2kb3 h VAL 83 Cb 0.00 1.42 -0.25 0.00 -1.52 0.00 0.00 31.29 30.94 2kb3 h VAL 83 CO 0.00 0.42 -0.45 -0.89 0.02 0.00 0.00 177.57 176.68 2kb3 s THR 84 N -4.58 -0.82 0.06 2.57 2.01 -1.26 -5.07 115.64 108.55 2kb3 s THR 84 Ca -0.13 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2kb3 s THR 84 Cb 0.09 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2kb3 s THR 84 CO 0.82 -0.13 0.14 -0.69 -0.69 0.00 0.00 174.62 174.06 2kb3 s VAL 85 N 2.69 4.94 0.40 3.82 1.01 -1.26 -4.42 120.40 127.58 2kb3 s VAL 85 Ca 0.11 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 2kb3 s VAL 85 Cb -0.12 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 2kb3 s VAL 85 CO -0.27 0.15 1.21 -0.55 0.00 0.00 0.00 175.10 175.64 2kb3 s SER 86 N -2.40 6.46 0.55 3.32 0.15 -1.26 -4.41 113.70 116.11 2kb3 s SER 86 Ca 0.31 2.45 0.25 0.00 0.70 0.00 0.00 55.95 59.67 2kb3 s SER 86 Cb -0.13 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.02 2kb3 s SER 86 CO 0.24 -0.73 2.04 0.08 1.20 0.00 0.00 173.24 176.07 2kb3 h ARG 87 N 2.67 0.00 -1.67 5.44 0.11 -1.92 0.29 114.38 119.30 2kb3 h ARG 87 Ca -0.49 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.45 2kb3 h ARG 87 Cb 1.24 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 32.04 2kb3 h ARG 87 CO 0.63 0.00 -0.48 -0.98 0.10 0.00 0.00 179.97 179.23 2kb3 s ARG 88 N -4.88 0.41 -0.18 0.08 1.70 -1.26 -4.46 118.95 110.36 2kb3 s ARG 88 Ca -0.05 0.38 -0.21 0.00 -0.47 0.00 0.00 55.73 55.39 2kb3 s ARG 88 Cb 0.18 -0.26 -0.18 0.00 -0.57 0.00 0.00 34.95 34.11 2kb3 s ARG 88 CO 0.65 -0.85 0.30 1.25 -1.08 0.00 0.00 175.30 175.57 2kb3 h HIS 89 N 8.15 0.00 -3.31 5.89 2.76 -1.36 -3.38 115.15 123.89 2kb3 h HIS 89 Ca -0.14 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.98 2kb3 h HIS 89 Cb 1.14 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.97 2kb3 h HIS 89 CO 0.20 1.12 -0.06 0.00 -1.30 0.00 0.00 177.93 177.89 2kb3 s ALA 90 N -2.38 -0.98 0.03 5.26 0.00 -1.10 -3.39 121.76 119.20 2kb3 s ALA 90 Ca -0.23 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2kb3 s ALA 90 Cb 0.03 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2kb3 s ALA 90 CO 0.54 -0.62 0.04 -1.83 0.00 0.00 0.00 175.76 173.89 2kb3 s GLU 91 N -3.61 0.52 -0.20 0.00 -1.05 0.00 -0.36 118.70 114.01 2kb3 s GLU 91 Ca 0.02 -0.79 -0.07 0.00 -0.15 0.00 0.00 54.97 53.97 2kb3 s GLU 91 Cb 0.01 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2kb3 s GLU 91 CO -0.11 -0.11 0.06 -0.06 0.95 0.00 0.00 175.26 175.99 2kb3 s PHE 92 N -2.51 3.21 -0.13 4.83 0.40 0.86 -0.59 117.98 124.05 2kb3 s PHE 92 Ca -0.06 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2kb3 s PHE 92 Cb -0.02 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 41.41 2kb3 s PHE 92 CO -0.04 0.04 -0.21 1.03 0.70 0.00 0.00 175.22 176.74 2kb3 s ARG 93 N 0.64 2.86 -0.29 0.44 0.52 0.78 -0.23 118.95 123.67 2kb3 s ARG 93 Ca 0.03 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2kb3 s ARG 93 Cb -0.13 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 33.05 2kb3 s ARG 93 CO 0.02 -0.02 0.01 0.42 0.02 0.00 0.00 175.30 175.74 2kb3 s ILE 94 N 0.85 3.14 -0.02 1.52 1.09 0.81 -0.64 121.20 127.95 2kb3 s ILE 94 Ca -0.07 -1.21 -0.00 0.00 -1.10 0.00 0.00 60.65 58.27 2kb3 s ILE 94 Cb -0.15 -2.74 0.03 0.00 -1.06 0.00 0.00 42.46 38.54 2kb3 s ILE 94 CO -0.02 -0.03 0.03 0.21 -0.10 0.00 0.00 174.94 175.03 2kb3 s ASN 95 N 1.31 0.16 -1.45 3.58 3.84 0.25 -4.46 114.94 118.16 2kb3 s ASN 95 Ca -0.03 0.04 -0.08 0.00 0.21 0.00 0.00 52.86 53.00 2kb3 s ASN 95 Cb -0.19 -0.09 0.04 0.00 -0.55 0.00 0.00 41.25 40.46 2kb3 s ASN 95 CO -0.01 -0.13 0.69 -0.62 -2.79 0.00 0.00 177.10 174.23 2kb3 n GLU 96 N 4.24 -4.85 -0.84 0.43 1.02 -1.26 -0.98 120.64 118.40 2kb3 n GLU 96 Ca -0.27 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2kb3 n GLU 96 Cb 0.50 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 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 -1.49 1.09 3.80 0.62 0.00 -1.26 -5.01 105.19 102.93 2kb3 n GLY 97 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 3.61 -0.24 1.61 0.41 -0.16 -5.07 118.70 118.77 2kb3 s GLU 98 Ca 0.00 -0.21 -0.04 0.00 -0.41 0.00 0.00 54.97 54.31 2kb3 s GLU 98 Cb 0.00 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 2kb3 s GLU 98 CO 0.00 0.61 -0.02 -0.06 -0.49 0.00 0.00 175.26 175.30 2kb3 s PHE 99 N -0.56 3.02 0.06 1.61 0.08 -1.26 -0.58 117.98 120.35 2kb3 s PHE 99 Ca 0.12 -1.07 0.06 0.00 0.12 0.00 0.00 56.93 56.17 2kb3 s PHE 99 Cb -0.12 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2kb3 s PHE 99 CO 0.02 -0.59 -0.17 -1.83 -0.10 0.00 0.00 175.22 172.55 2kb3 s GLU 100 N 1.45 1.09 -0.19 0.44 -1.05 0.19 -0.13 118.70 120.51 2kb3 s GLU 100 Ca 0.04 -0.92 -0.03 0.00 -0.15 0.00 0.00 54.97 53.91 2kb3 s GLU 100 Cb -0.15 -1.19 -0.01 0.00 -0.44 0.00 0.00 34.13 32.34 2kb3 s GLU 100 CO -0.02 0.29 -0.07 0.08 0.95 0.00 0.00 175.26 176.48 2kb3 s VAL 101 N -0.96 3.28 -0.07 1.83 1.01 -0.05 -0.16 120.40 125.29 2kb3 s VAL 101 Ca 0.04 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2kb3 s VAL 101 Cb -0.09 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2kb3 s VAL 101 CO 0.02 0.46 -0.22 0.68 0.00 0.00 0.00 175.10 176.04 2kb3 s VAL 102 N 1.05 2.28 0.09 2.92 -7.23 0.25 -1.26 120.40 118.49 2kb3 s VAL 102 Ca 0.00 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 2kb3 s VAL 102 Cb -0.15 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 2kb3 s VAL 102 CO -0.01 0.57 1.04 -0.62 -0.31 0.00 0.00 175.10 175.77 2kb3 s ASP 103 N -0.13 7.33 -0.12 4.85 -1.08 0.12 -0.82 116.67 126.82 2kb3 s ASP 103 Ca -0.04 1.87 0.17 0.00 -0.52 0.00 0.00 52.55 54.03 2kb3 s ASP 103 Cb -0.14 -2.59 0.29 0.00 -1.46 0.00 0.00 42.92 39.02 2kb3 s ASP 103 CO 0.04 -0.23 1.17 1.33 0.52 0.00 0.00 175.17 177.99 2kb3 n VAL 104 N 3.20 1.84 0.00 1.11 0.24 -1.22 -4.90 118.33 118.61 2kb3 n VAL 104 Ca 0.05 -2.10 0.00 0.00 -2.04 0.00 0.00 64.34 60.25 2kb3 n VAL 104 Cb 0.48 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N -1.23 0.66 3.82 7.63 0.00 -1.26 -4.98 105.19 109.82 2kb3 n GLY 105 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb3 s SER 106 N -1.04 7.01 -0.00 1.61 1.04 -1.24 -4.88 113.70 116.20 2kb3 s SER 106 Ca 0.00 1.31 0.22 0.00 0.48 0.00 0.00 55.95 57.96 2kb3 s SER 106 Cb 0.00 -2.38 -0.30 0.00 0.10 0.00 0.00 66.02 63.44 2kb3 s SER 106 CO 0.00 0.10 0.55 0.18 0.98 0.00 0.00 173.24 175.05 2kb3 n LEU 107 N 0.96 0.11 0.13 2.42 7.99 -1.26 -4.38 117.00 122.97 2kb3 n LEU 107 Ca -0.05 0.02 0.12 0.00 -0.01 0.00 0.00 56.01 56.09 2kb3 n LEU 107 Cb 0.51 -0.01 0.06 0.00 -0.11 0.00 0.00 43.42 43.87 2kb3 n LEU 107 CO 0.43 -0.01 0.25 0.78 -1.51 0.00 0.00 177.39 177.32 2kb3 h ASN 108 N 0.00 0.00 -0.04 -1.43 4.21 -1.90 -3.48 115.58 112.93 2kb3 h ASN 108 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kb3 h ASN 108 Cb 0.99 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 2kb3 h ASN 108 CO 0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2kb3 n GLY 109 N 1.17 1.26 3.74 2.83 0.00 -1.26 -4.90 105.19 108.03 2kb3 n GLY 109 Ca 0.01 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 5.00 -0.13 2.61 2.01 -1.26 -4.52 115.64 119.35 2kb3 s THR 110 Ca 0.00 1.31 0.03 0.00 0.31 0.00 0.00 61.69 63.34 2kb3 s THR 110 Cb 0.00 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2kb3 s THR 110 CO 0.00 0.33 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.73 2kb3 s TYR 111 N 0.37 2.65 -0.25 4.92 1.51 -0.82 -1.57 117.35 124.15 2kb3 s TYR 111 Ca 0.34 -1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.10 2kb3 s TYR 111 Cb -0.18 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2kb3 s TYR 111 CO 0.17 -0.55 -0.01 0.08 -1.11 0.00 0.00 175.55 174.13 2kb3 s VAL 112 N 0.68 3.44 -1.46 0.71 1.01 0.27 -0.01 120.40 125.05 2kb3 s VAL 112 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2kb3 s VAL 112 Cb -0.16 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2kb3 s VAL 112 CO 0.01 0.26 0.83 0.59 0.00 0.00 0.00 175.10 176.79 2kb3 n ASN 113 N 4.79 -5.17 -0.61 3.32 3.02 0.24 -1.22 115.26 119.63 2kb3 n ASN 113 Ca -0.17 -0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 53.76 2kb3 n ASN 113 Cb 0.49 -4.15 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.40 -1.04 -4.13 3.52 1.74 -1.26 -5.01 116.66 106.08 2kb3 n ARG 114 Ca -0.01 0.71 -0.36 0.00 -0.77 0.00 0.00 57.85 57.42 2kb3 n ARG 114 Cb 0.56 -4.71 -0.08 0.00 -1.02 0.00 0.00 32.46 27.20 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -2.38 3.31 0.11 5.56 2.02 -0.35 -4.99 118.70 121.98 2kb3 s GLU 115 Ca 0.00 -0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.39 2kb3 s GLU 115 Cb 0.00 -3.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.12 2kb3 s GLU 115 CO 0.00 0.67 1.85 -1.25 0.02 0.00 0.00 175.26 176.55 2kb3 s PRO 116 N -0.75 4.14 -0.09 0.39 0.04 -1.26 -0.56 135.00 136.90 2kb3 s PRO 116 Ca 0.12 2.60 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 2kb3 s PRO 116 Cb -0.12 -3.69 0.03 0.00 0.04 0.00 0.00 34.50 30.76 2kb3 s PRO 116 CO 0.03 -0.86 0.29 0.50 0.04 0.00 0.00 177.00 176.99 2kb3 s ARG 117 N 3.02 0.39 -0.19 4.56 6.06 -0.61 -4.87 118.95 127.32 2kb3 s ARG 117 Ca 0.82 0.28 -0.16 0.00 -2.50 0.00 0.00 55.73 54.17 2kb3 s ARG 117 Cb -0.45 0.19 -0.07 0.00 0.06 0.00 0.00 34.95 34.68 2kb3 s ARG 117 CO 0.37 -0.06 -0.31 -1.71 -2.50 0.00 0.00 175.30 171.09 2kb3 n ASN 118 N 2.62 1.92 -3.95 -2.12 5.15 -1.26 -4.20 115.26 113.42 2kb3 n ASN 118 Ca -0.15 0.38 -0.16 0.00 -0.60 0.00 0.00 54.58 54.06 2kb3 n ASN 118 Cb 0.58 -0.78 -0.15 0.00 -0.53 0.00 0.00 39.78 38.90 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb3 s ALA 119 N -2.82 0.43 -0.12 5.20 0.00 -1.26 0.10 121.76 123.29 2kb3 s ALA 119 Ca -0.28 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 2kb3 s ALA 119 Cb 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.09 2kb3 s ALA 119 CO 0.41 0.09 0.45 -1.14 0.00 0.00 0.00 175.76 175.57 2kb3 s GLN 120 N -0.03 0.64 0.01 0.00 -0.44 -0.39 -5.01 119.66 114.44 2kb3 s GLN 120 Ca 0.01 0.38 -0.28 0.00 -2.50 0.00 0.00 55.36 52.97 2kb3 s GLN 120 Cb -0.03 0.30 -0.04 0.00 -1.64 0.00 0.00 33.01 31.60 2kb3 s GLN 120 CO -0.00 -0.13 0.90 0.08 0.50 0.00 0.00 175.29 176.64 2kb3 s VAL 121 N -0.33 4.82 0.24 1.34 1.01 -1.26 -0.87 120.40 125.34 2kb3 s VAL 121 Ca -0.05 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 63.71 2kb3 s VAL 121 Cb -0.03 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 2kb3 s VAL 121 CO 0.03 0.23 0.61 -0.04 0.00 0.00 0.00 175.10 175.93 2kb3 s MET 122 N 0.68 3.93 0.23 2.72 1.00 0.82 -4.94 119.30 123.74 2kb3 s MET 122 Ca 0.47 0.47 0.12 0.00 0.00 0.00 0.00 55.69 56.75 2kb3 s MET 122 Cb -0.21 -2.67 -0.05 0.00 0.00 0.00 0.00 34.83 31.91 2kb3 s MET 122 CO 0.26 0.31 -0.21 1.14 0.00 0.00 0.00 175.02 176.53 2kb3 s GLN 123 N -2.61 1.64 0.24 2.03 -2.07 -1.26 -4.69 119.66 112.94 2kb3 s GLN 123 Ca 0.47 -1.62 -0.30 0.00 -1.82 0.00 0.00 55.36 52.08 2kb3 s GLN 123 Cb -0.12 -1.83 -0.11 0.00 -1.09 0.00 0.00 33.01 29.86 2kb3 s GLN 123 CO 0.20 0.37 1.55 -0.08 -1.32 0.00 0.00 175.29 176.00 2kb3 s THR 124 N -2.08 2.37 0.00 3.63 -1.32 -1.26 -2.38 115.64 114.60 2kb3 s THR 124 Ca 0.26 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 2kb3 s THR 124 Cb -0.07 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 2kb3 s THR 124 CO 0.13 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 2kb3 n GLY 125 N 2.68 0.53 3.76 6.08 0.00 1.00 -4.87 105.19 114.36 2kb3 n GLY 125 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -2.95 7.29 -0.16 1.61 1.01 -1.00 -4.87 116.67 117.61 2kb3 s ASP 126 Ca 0.00 2.14 -0.02 0.00 0.71 0.00 0.00 52.55 55.38 2kb3 s ASP 126 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2kb3 s ASP 126 CO 0.00 -0.11 -0.08 -1.61 0.21 0.00 0.00 175.17 173.58 2kb3 s GLU 127 N -1.56 3.49 -0.25 8.23 2.02 -1.26 -0.76 118.70 128.61 2kb3 s GLU 127 Ca 0.46 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.77 2kb3 s GLU 127 Cb -0.28 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2kb3 s GLU 127 CO 0.36 0.13 0.05 0.42 0.02 0.00 0.00 175.26 176.25 2kb3 s ILE 128 N 0.60 4.10 -0.28 -1.63 1.01 0.10 0.81 121.20 125.92 2kb3 s ILE 128 Ca -0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 2kb3 s ILE 128 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 2kb3 s ILE 128 CO 0.03 0.33 0.09 -1.58 0.00 0.00 0.00 174.94 173.81 2kb3 s GLN 129 N 1.58 3.41 -0.35 2.79 -0.44 0.99 -0.15 119.66 127.49 2kb3 s GLN 129 Ca 0.06 -0.65 0.02 0.00 -2.50 0.00 0.00 55.36 52.29 2kb3 s GLN 129 Cb -0.15 -3.40 0.10 0.00 -1.64 0.00 0.00 33.01 27.92 2kb3 s GLN 129 CO 0.02 -0.32 0.07 0.42 0.50 0.00 0.00 175.29 175.98 2kb3 s ILE 130 N 1.58 2.56 0.00 -2.34 -1.09 -0.25 -1.94 121.20 119.71 2kb3 s ILE 130 Ca 0.05 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.32 2kb3 s ILE 130 Cb -0.16 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2kb3 s ILE 130 CO 0.04 -0.53 0.00 0.61 -1.23 0.00 0.00 174.94 173.83 2kb3 n GLY 131 N 4.37 0.56 0.33 6.18 0.00 -1.26 -0.57 105.19 114.80 2kb3 n GLY 131 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -4.20 1.61 2.85 -1.26 -3.64 118.16 113.52 2kb3 n LYS 132 Ca 0.00 -0.60 -0.31 0.00 -1.05 0.00 0.00 58.31 56.35 2kb3 n LYS 132 Cb 0.00 -0.36 -0.09 0.00 -0.65 0.00 0.00 35.03 33.93 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 0.00 2.96 -0.12 5.58 0.40 0.26 -4.06 117.98 123.00 2kb3 s PHE 133 Ca 0.00 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2kb3 s PHE 133 Cb 0.00 -1.55 0.03 0.00 0.51 0.00 0.00 43.02 42.00 2kb3 s PHE 133 CO 0.00 0.46 -0.09 1.03 0.70 0.00 0.00 175.22 177.32 2kb3 s ARG 134 N -2.09 1.67 -0.15 0.44 0.52 -0.21 -1.09 118.95 118.04 2kb3 s ARG 134 Ca 0.23 -0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 2kb3 s ARG 134 Cb -0.12 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 2kb3 s ARG 134 CO 0.15 -0.27 0.01 -0.51 0.02 0.00 0.00 175.30 174.71 2kb3 s LEU 135 N 1.66 3.56 -0.22 2.53 1.43 0.79 -0.05 118.68 128.37 2kb3 s LEU 135 Ca 0.05 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2kb3 s LEU 135 Cb -0.13 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2kb3 s LEU 135 CO -0.09 0.23 -0.04 -0.69 0.23 0.00 0.00 176.35 175.99 2kb3 s VAL 136 N 0.01 3.41 -0.25 -1.59 1.01 0.92 0.01 120.40 123.91 2kb3 s VAL 136 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2kb3 s VAL 136 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2kb3 s VAL 136 CO 0.02 0.42 0.33 0.12 0.00 0.00 0.00 175.10 175.99 2kb3 s PHE 137 N 1.47 3.28 -0.02 5.22 5.36 0.06 -0.47 117.98 132.86 2kb3 s PHE 137 Ca 0.06 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 2kb3 s PHE 137 Cb -0.14 -2.51 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2kb3 s PHE 137 CO -0.03 -0.15 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.96 2kb3 s LEU 138 N 1.77 1.87 -0.26 6.12 1.43 0.29 -0.00 118.68 129.90 2kb3 s LEU 138 Ca 0.14 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 2kb3 s LEU 138 Cb -0.15 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 2kb3 s LEU 138 CO 0.09 0.10 0.66 0.00 0.23 0.00 0.00 176.35 177.43 2kb3 s ALA 139 N 0.04 3.60 0.00 4.21 0.00 -1.26 -0.24 121.76 128.11 2kb3 s ALA 139 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2kb3 s ALA 139 Cb -0.08 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kb3 s ALA 139 CO 0.01 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2kb3 n GLY 140 N 4.17 3.99 3.76 0.00 0.00 -0.22 -4.65 105.19 112.24 2kb3 n GLY 140 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 2kb3 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb3 s PRO 141 N 4.28 1.93 -0.52 1.61 0.02 -1.26 -2.30 135.00 138.76 2kb3 s PRO 141 Ca 0.00 0.99 0.07 0.00 0.02 0.00 0.00 61.00 62.08 2kb3 s PRO 141 Cb 0.00 -1.87 0.25 0.00 0.02 0.00 0.00 34.50 32.90 2kb3 s PRO 141 CO 0.00 -1.82 0.65 0.00 -0.33 0.00 0.00 177.00 175.49 2kb3 n ALA 142 N -3.62 3.31 1.99 -1.55 0.00 -1.26 -4.53 120.51 114.84 2kb3 n ALA 142 Ca 0.08 -4.13 0.16 0.00 0.00 0.00 0.00 53.44 49.55 2kb3 n ALA 142 Cb 0.54 -0.86 0.94 0.00 0.00 0.00 0.00 19.45 20.07 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89