#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.08 -3.04 7.83 4.64 -2.12 -3.40 113.55 117.53 2kb4 h SER 2 Ca 0.00 -0.34 -0.60 0.00 -0.47 0.00 0.00 61.79 60.38 2kb4 h SER 2 Cb 0.00 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 2kb4 h SER 2 CO 0.00 0.41 -0.37 1.51 -0.87 0.00 0.00 176.83 177.51 2kb4 s ASP 3 N -5.63 6.47 0.02 4.97 -4.77 -1.26 -5.10 116.67 111.37 2kb4 s ASP 3 Ca -0.15 0.52 -0.07 0.00 -3.30 0.00 0.00 52.55 49.55 2kb4 s ASP 3 Cb 0.04 -2.06 -0.00 0.00 -1.09 0.00 0.00 42.92 39.80 2kb4 s ASP 3 CO 0.69 0.13 0.12 0.54 0.70 0.00 0.00 175.17 177.35 2kb4 s ASN 4 N -2.26 0.10 -0.34 2.11 2.20 -1.26 -5.12 114.94 110.37 2kb4 s ASN 4 Ca 0.36 -0.37 0.04 0.00 -0.94 0.00 0.00 52.86 51.95 2kb4 s ASN 4 Cb -0.13 0.22 0.17 0.00 -2.00 0.00 0.00 41.25 39.51 2kb4 s ASN 4 CO 0.23 -0.45 0.46 0.21 -2.94 0.00 0.00 177.10 174.62 2kb4 s ASN 5 N -1.77 0.06 -0.39 3.54 2.47 -1.26 -5.05 114.94 112.54 2kb4 s ASN 5 Ca -0.10 -0.80 0.03 0.00 0.42 0.00 0.00 52.86 52.42 2kb4 s ASN 5 Cb -0.04 1.19 0.16 0.00 -1.45 0.00 0.00 41.25 41.11 2kb4 s ASN 5 CO -0.02 -0.28 0.38 -0.83 -3.72 0.00 0.00 177.10 172.64 2kb4 s GLY 6 N 2.07 0.25 -0.15 1.21 0.00 -1.26 -5.12 107.32 104.32 2kb4 s GLY 6 Ca 0.13 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.17 2kb4 s GLY 6 CO -0.17 2.61 1.08 -1.59 0.00 0.00 0.00 173.10 175.02 2kb4 s THR 7 N 1.00 4.62 0.28 0.90 2.01 -1.26 -5.02 115.64 118.17 2kb4 s THR 7 Ca 0.22 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.85 2kb4 s THR 7 Cb -0.11 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 2kb4 s THR 7 CO -0.06 -0.08 1.26 -2.16 -0.69 0.00 0.00 174.62 172.90 2kb4 s PRO 8 N 2.64 4.43 -0.06 4.92 0.04 -1.26 -5.04 135.00 140.67 2kb4 s PRO 8 Ca 0.49 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.48 2kb4 s PRO 8 Cb -0.18 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2kb4 s PRO 8 CO 0.14 -0.12 0.32 -1.83 0.04 0.00 0.00 177.00 175.55 2kb4 s GLU 9 N -1.25 3.87 -0.02 4.56 -1.05 -1.26 -5.05 118.70 118.50 2kb4 s GLU 9 Ca 0.50 0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 55.23 2kb4 s GLU 9 Cb -0.37 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.02 2kb4 s GLU 9 CO 0.46 0.61 1.17 -2.14 0.95 0.00 0.00 175.26 176.31 2kb4 s PRO 10 N -0.72 4.40 -0.00 -4.83 0.02 -1.26 -4.99 135.00 127.62 2kb4 s PRO 10 Ca 0.20 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2kb4 s PRO 10 Cb -0.15 -3.48 -0.06 0.00 0.02 0.00 0.00 34.50 30.83 2kb4 s PRO 10 CO 0.09 -0.34 1.54 -0.65 -0.33 0.00 0.00 177.00 177.31 2kb4 s GLN 11 N 1.73 4.23 -0.77 5.54 -0.21 -1.26 -4.94 119.66 123.97 2kb4 s GLN 11 Ca 0.56 2.12 -0.19 0.00 0.02 0.00 0.00 55.36 57.87 2kb4 s GLN 11 Cb -0.25 -3.71 0.12 0.00 1.00 0.00 0.00 33.01 30.17 2kb4 s GLN 11 CO 0.25 -0.71 0.93 0.08 -2.12 0.00 0.00 175.29 173.72 2kb4 s VAL 12 N 2.99 4.79 0.04 1.09 1.01 -1.26 -5.00 120.40 124.07 2kb4 s VAL 12 Ca 0.69 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 2kb4 s VAL 12 Cb -0.34 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.34 2kb4 s VAL 12 CO 0.28 -1.33 1.39 -0.70 0.00 0.00 0.00 175.10 174.75 2kb4 s GLU 13 N 2.61 4.30 -0.11 2.72 -6.30 -1.26 -4.91 118.70 115.76 2kb4 s GLU 13 Ca 0.23 2.00 0.20 0.00 -2.50 0.00 0.00 54.97 54.89 2kb4 s GLU 13 Cb -0.13 -3.46 -0.29 0.00 0.00 0.00 0.00 34.13 30.25 2kb4 s GLU 13 CO -0.01 -0.51 0.28 2.41 0.02 0.00 0.00 175.26 177.45 2kb4 n THR 14 N 4.39 0.63 -2.12 -1.70 -1.04 -1.26 -4.71 114.28 108.46 2kb4 n THR 14 Ca 0.12 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 2kb4 n THR 14 Cb 0.43 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2kb4 n THR 14 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2kb4 n THR 15 N -2.47 3.85 -3.90 12.58 5.66 -1.26 -4.76 114.28 123.99 2kb4 n THR 15 Ca -0.17 -3.71 -0.13 0.00 -3.05 0.00 0.00 64.05 56.99 2kb4 n THR 15 Cb 0.83 -2.49 -0.14 0.00 -1.55 0.00 0.00 70.33 66.98 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kb4 s SER 16 N 2.59 0.11 0.01 1.09 0.01 -1.26 -5.00 113.70 111.24 2kb4 s SER 16 Ca 0.45 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2kb4 s SER 16 Cb 0.10 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2kb4 s SER 16 CO -0.03 -0.01 0.00 0.52 0.41 0.00 0.00 173.24 174.13 2kb4 n VAL 17 N 3.22 -7.15 -4.93 3.43 0.31 -1.26 -5.06 118.33 106.90 2kb4 n VAL 17 Ca -0.14 1.43 -0.26 0.00 -0.01 0.00 0.00 64.34 65.35 2kb4 n VAL 17 Cb 0.58 -4.39 -0.16 0.00 -0.91 0.00 0.00 33.84 28.97 2kb4 n VAL 17 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 2kb4 s PHE 18 N -0.27 1.73 -0.40 3.52 -0.71 -1.26 -5.09 117.98 115.50 2kb4 s PHE 18 Ca 0.00 -0.35 -0.05 0.00 -1.04 0.00 0.00 56.93 55.50 2kb4 s PHE 18 Cb 0.00 -1.12 0.10 0.00 -1.21 0.00 0.00 43.02 40.79 2kb4 s PHE 18 CO 0.00 -0.05 0.20 1.03 -1.34 0.00 0.00 175.22 175.06 2kb4 s ARG 19 N -0.39 2.22 -1.09 1.99 0.52 -1.26 -5.02 118.95 115.91 2kb4 s ARG 19 Ca 0.06 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 53.40 2kb4 s ARG 19 Cb -0.08 -3.60 0.09 0.00 0.52 0.00 0.00 34.95 31.88 2kb4 s ARG 19 CO -0.00 -1.00 1.45 0.00 0.02 0.00 0.00 175.30 175.77 2kb4 s ALA 20 N 1.23 3.16 0.01 2.13 0.00 -1.26 -4.69 121.76 122.33 2kb4 s ALA 20 Ca 0.05 -2.67 -0.14 0.00 0.00 0.00 0.00 51.96 49.21 2kb4 s ALA 20 Cb -0.23 -4.41 -0.34 0.00 0.00 0.00 0.00 23.12 18.14 2kb4 s ALA 20 CO -0.02 -3.30 0.89 0.22 0.00 0.00 0.00 175.76 173.55 2kb4 h ASP 21 N 8.71 0.76 -2.46 0.00 3.58 -2.07 -3.41 116.42 121.54 2kb4 h ASP 21 Ca 0.27 -0.90 -0.54 0.00 0.42 0.00 0.00 57.03 56.28 2kb4 h ASP 21 Cb 0.96 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.69 2kb4 h ASP 21 CO 1.35 1.73 1.06 -0.22 -2.88 0.00 0.00 179.24 180.27 2kb4 s LEU 22 N -7.47 3.20 0.01 2.28 2.96 -1.26 -4.96 118.68 113.43 2kb4 s LEU 22 Ca -0.11 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2kb4 s LEU 22 Cb 0.05 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2kb4 s LEU 22 CO 0.91 -1.80 -0.21 -0.22 -1.32 0.00 0.00 176.35 173.71 2kb4 s LEU 23 N 5.70 2.37 0.24 -0.68 1.98 -1.26 -5.09 118.68 121.94 2kb4 s LEU 23 Ca 0.37 -0.43 -0.30 0.00 -2.89 0.00 0.00 54.13 50.87 2kb4 s LEU 23 Cb -0.08 -1.42 -0.10 0.00 0.66 0.00 0.00 46.19 45.25 2kb4 s LEU 23 CO 0.16 0.29 1.50 -0.54 -1.89 0.00 0.00 176.35 175.87 2kb4 s LYS 24 N -1.02 4.23 0.82 1.98 1.02 -1.26 -4.98 119.74 120.53 2kb4 s LYS 24 Ca 0.12 2.37 -0.11 0.00 0.02 0.00 0.00 55.97 58.37 2kb4 s LYS 24 Cb -0.10 -3.10 0.09 0.00 -0.52 0.00 0.00 37.83 34.19 2kb4 s LYS 24 CO 0.02 -0.50 1.09 -1.83 -0.92 0.00 0.00 175.35 173.21 2kb4 s GLU 25 N -0.05 1.86 -0.89 1.68 -1.05 -1.26 -4.94 118.70 114.05 2kb4 s GLU 25 Ca 0.62 0.99 -0.23 0.00 -0.15 0.00 0.00 54.97 56.20 2kb4 s GLU 25 Cb -0.43 -1.87 0.06 0.00 -0.44 0.00 0.00 34.13 31.46 2kb4 s GLU 25 CO 0.41 -1.87 1.28 1.41 0.95 0.00 0.00 175.26 177.45 2kb4 s MET 26 N -4.94 3.44 0.00 -4.83 -2.45 -1.26 -4.95 119.30 104.32 2kb4 s MET 26 Ca 0.62 -1.02 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 2kb4 s MET 26 Cb -0.17 -4.87 0.00 0.00 1.25 0.00 0.00 34.83 31.04 2kb4 s MET 26 CO 0.56 -2.06 0.00 -1.91 1.05 0.00 0.00 175.02 172.67 2kb4 n GLU 27 N 8.36 3.24 -1.73 4.11 2.13 -1.26 -5.02 120.64 130.47 2kb4 n GLU 27 Ca 0.20 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.60 2kb4 n GLU 27 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.18 2kb4 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2kb4 n SER 28 N 0.00 3.77 -4.72 4.31 7.64 -1.26 -4.92 113.62 118.43 2kb4 n SER 28 Ca 0.00 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.58 2kb4 n SER 28 Cb 0.00 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 61.60 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kb4 s SER 29 N 0.70 7.19 -0.22 6.43 0.01 -1.26 -4.99 113.70 121.55 2kb4 s SER 29 Ca 0.68 1.98 -0.20 0.00 1.31 0.00 0.00 55.95 59.73 2kb4 s SER 29 Cb -0.52 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.10 2kb4 s SER 29 CO 0.43 -0.36 0.60 0.28 0.41 0.00 0.00 173.24 174.61 2kb4 s THR 30 N 0.63 5.03 0.13 1.44 -1.32 -1.26 -4.92 115.64 115.36 2kb4 s THR 30 Ca 0.55 1.10 0.00 0.00 -1.21 0.00 0.00 61.69 62.13 2kb4 s THR 30 Cb -0.28 -3.91 -0.20 0.00 -1.51 0.00 0.00 72.50 66.59 2kb4 s THR 30 CO 0.31 0.09 1.28 1.23 -2.21 0.00 0.00 174.62 175.33 2kb4 h GLY 31 N 8.43 0.24 -3.33 6.08 0.00 -1.94 -3.43 103.07 109.11 2kb4 h GLY 31 Ca -0.30 -0.49 -0.50 0.00 0.00 0.00 0.00 47.33 46.03 2kb4 h GLY 31 CO 0.76 0.43 0.50 -1.59 0.00 0.00 0.00 176.54 176.64 2kb4 s THR 32 N -2.97 3.28 -0.37 4.70 2.01 -1.26 -4.73 115.64 116.31 2kb4 s THR 32 Ca -0.03 1.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 2kb4 s THR 32 Cb 0.09 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.95 2kb4 s THR 32 CO 0.85 0.16 0.94 0.00 -0.69 0.00 0.00 174.62 175.87 2kb4 s ALA 33 N -1.36 3.41 0.06 7.40 0.00 -1.14 -4.98 121.76 125.15 2kb4 s ALA 33 Ca 0.53 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2kb4 s ALA 33 Cb -0.31 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 2kb4 s ALA 33 CO 0.39 -1.60 1.83 -1.25 0.00 0.00 0.00 175.76 175.13 2kb4 s PRO 34 N 3.49 4.16 0.00 0.00 0.04 -1.26 -3.52 135.00 137.91 2kb4 s PRO 34 Ca 0.39 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2kb4 s PRO 34 Cb -0.12 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2kb4 s PRO 34 CO 0.19 -0.87 0.65 0.00 0.04 0.00 0.00 177.00 177.01 2kb4 n ALA 35 N 6.58 2.47 0.10 8.56 0.00 -1.26 -3.53 120.51 133.44 2kb4 n ALA 35 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 2kb4 n ALA 35 Cb 0.40 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.89 2kb4 n ALA 35 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kb4 h SER 36 N 0.03 0.00 -2.56 0.00 0.02 -2.00 -3.44 113.55 105.60 2kb4 h SER 36 Ca 0.00 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2kb4 h SER 36 Cb 0.65 -0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.97 2kb4 h SER 36 CO 0.00 0.80 0.07 0.28 -1.14 0.00 0.00 176.83 176.84 2kb4 s THR 37 N -3.19 -0.25 -0.40 -2.27 -1.32 -1.23 -5.01 115.64 101.97 2kb4 s THR 37 Ca -0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2kb4 s THR 37 Cb 0.11 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.10 2kb4 s THR 37 CO 0.79 0.00 0.38 0.61 -2.21 0.00 0.00 174.62 174.19 2kb4 n GLY 38 N 4.49 -0.69 0.22 6.08 0.00 -1.26 -4.88 105.19 109.15 2kb4 n GLY 38 Ca -0.17 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.20 1.02 0.00 4.61 0.00 -1.83 -3.06 119.26 120.19 2kb4 h ALA 39 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kb4 h ALA 39 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kb4 h ALA 39 CO 0.17 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.40 2kb4 n GLU 40 N -4.07 0.01 0.16 0.00 1.02 -1.26 -2.07 120.64 114.44 2kb4 n GLU 40 Ca -0.01 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 2kb4 n GLU 40 Cb 0.46 -1.53 0.58 0.00 -0.02 0.00 0.00 31.44 30.93 2kb4 n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kb4 n ASN 41 N -1.55 0.62 -4.47 1.62 5.15 -1.16 -4.87 115.26 110.61 2kb4 n ASN 41 Ca -0.00 0.74 -0.47 0.00 -0.60 0.00 0.00 54.58 54.25 2kb4 n ASN 41 Cb 0.01 -0.84 -0.03 0.00 -0.53 0.00 0.00 39.78 38.39 2kb4 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb4 n LEU 42 N -2.29 -0.16 0.20 1.20 -0.00 -0.88 -4.81 117.00 110.26 2kb4 n LEU 42 Ca -0.00 1.15 0.13 0.00 -0.00 0.00 0.00 56.01 57.29 2kb4 n LEU 42 Cb 0.10 -1.06 0.36 0.00 -0.00 0.00 0.00 43.42 42.81 2kb4 n LEU 42 CO 0.13 -2.39 0.87 1.55 -0.00 0.00 0.00 177.39 177.55 2kb4 h PRO 43 N 1.48 0.00 -1.84 1.47 0.13 -1.88 -3.44 132.00 127.91 2kb4 h PRO 43 Ca -0.33 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2kb4 h PRO 43 Cb 1.41 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.31 2kb4 h PRO 43 CO 0.59 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.48 2kb4 s ALA 44 N -3.29 -2.02 0.15 -0.56 0.00 -1.26 -4.07 121.76 110.71 2kb4 s ALA 44 Ca 0.06 2.35 0.12 0.00 0.00 0.00 0.00 51.96 54.49 2kb4 s ALA 44 Cb 0.08 -1.55 0.21 0.00 0.00 0.00 0.00 23.12 21.86 2kb4 s ALA 44 CO 0.60 -0.42 1.51 0.78 0.00 0.00 0.00 175.76 178.24 2kb4 h GLY 45 N 6.81 0.00 -4.68 0.00 0.00 -0.13 -3.44 103.07 101.63 2kb4 h GLY 45 Ca -0.28 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.59 2kb4 h GLY 45 CO 0.17 0.00 -0.80 -0.56 0.00 0.00 0.00 176.54 175.35 2kb4 s SER 46 N -6.67 1.73 0.29 0.19 0.01 -1.26 -4.90 113.70 103.09 2kb4 s SER 46 Ca 0.00 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 2kb4 s SER 46 Cb 0.11 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2kb4 s SER 46 CO 0.76 0.03 0.37 0.00 0.41 0.00 0.00 173.24 174.82 2kb4 s ALA 47 N -0.89 0.82 0.08 1.44 0.00 -1.26 -4.43 121.76 117.54 2kb4 s ALA 47 Ca 0.02 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.49 2kb4 s ALA 47 Cb -0.08 1.24 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 2kb4 s ALA 47 CO 0.01 -0.74 -0.09 -0.48 0.00 0.00 0.00 175.76 174.46 2kb4 s LEU 48 N -3.20 2.37 -0.01 0.00 0.05 -0.15 -0.02 118.68 117.72 2kb4 s LEU 48 Ca 0.32 -0.76 0.07 0.00 0.05 0.00 0.00 54.13 53.82 2kb4 s LEU 48 Cb 0.02 -0.26 -0.02 0.00 -2.05 0.00 0.00 46.19 43.87 2kb4 s LEU 48 CO 0.17 -0.26 -0.24 -1.48 -0.55 0.00 0.00 176.35 174.00 2kb4 s LEU 49 N -2.27 2.20 -0.22 1.48 -0.00 -0.85 -1.10 118.68 117.93 2kb4 s LEU 49 Ca 0.02 -0.44 0.02 0.00 -0.00 0.00 0.00 54.13 53.72 2kb4 s LEU 49 Cb -0.04 -1.37 0.04 0.00 -0.00 0.00 0.00 46.19 44.82 2kb4 s LEU 49 CO -0.00 0.31 -0.13 -0.69 -0.00 0.00 0.00 176.35 175.83 2kb4 s VAL 50 N -0.67 1.98 -0.34 1.48 1.01 0.64 -2.23 120.40 122.27 2kb4 s VAL 50 Ca 0.11 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 2kb4 s VAL 50 Cb -0.10 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2kb4 s VAL 50 CO -0.00 0.20 0.50 -0.69 0.00 0.00 0.00 175.10 175.11 2kb4 s VAL 51 N 1.25 5.03 -0.15 2.92 1.01 -0.68 -0.16 120.40 129.61 2kb4 s VAL 51 Ca -0.03 0.38 0.18 0.00 0.00 0.00 0.00 61.98 62.52 2kb4 s VAL 51 Cb -0.17 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 2kb4 s VAL 51 CO -0.08 -0.17 0.87 1.17 0.00 0.00 0.00 175.10 176.89 2kb4 n LYS 52 N 5.69 0.62 -3.65 2.72 4.81 -0.76 -3.21 118.16 124.38 2kb4 n LYS 52 Ca -0.05 0.19 -0.14 0.00 -0.87 0.00 0.00 58.31 57.44 2kb4 n LYS 52 Cb 0.49 -1.81 -0.13 0.00 0.02 0.00 0.00 35.03 33.60 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb4 s ARG 53 N -3.05 0.15 0.00 1.64 3.52 -1.22 -5.03 118.95 114.95 2kb4 s ARG 53 Ca -0.02 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 2kb4 s ARG 53 Cb 0.09 -0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 2kb4 s ARG 53 CO 0.81 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 2kb4 n GLY 54 N 5.35 3.25 0.02 8.12 0.00 -1.26 -1.80 105.19 118.88 2kb4 n GLY 54 Ca -0.06 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N 0.00 0.03 -0.33 1.61 -0.02 -1.26 -1.18 135.00 133.85 2kb4 n PRO 55 Ca 0.00 0.39 0.24 0.00 -2.02 0.00 0.00 63.50 62.11 2kb4 n PRO 55 Cb 0.00 -1.57 0.53 0.00 -0.02 0.00 0.00 33.50 32.44 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kb4 h ASN 56 N 0.00 0.41 0.00 2.55 4.21 -1.81 -3.35 115.58 117.59 2kb4 h ASN 56 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2kb4 h ASN 56 Cb 0.15 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2kb4 h ASN 56 CO 0.00 0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.20 2kb4 n ALA 57 N -2.49 1.18 -1.68 -0.83 0.00 -1.00 -4.34 120.51 111.35 2kb4 n ALA 57 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 2kb4 n ALA 57 Cb 0.93 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.32 0.76 3.52 0.00 0.00 -0.32 -4.95 105.19 103.87 2kb4 n GLY 58 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N 0.15 -1.37 -2.83 4.61 0.00 -1.20 -4.86 120.51 115.01 2kb4 n ALA 59 Ca -0.13 -1.30 -0.33 0.00 0.00 0.00 0.00 53.44 51.68 2kb4 n ALA 59 Cb 0.48 1.04 -0.12 0.00 0.00 0.00 0.00 19.45 20.84 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.25 3.23 0.03 0.00 1.70 -1.25 -1.69 118.95 118.70 2kb4 s ARG 60 Ca 0.18 -0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 54.84 2kb4 s ARG 60 Cb -0.04 -2.70 -0.02 0.00 -0.57 0.00 0.00 34.95 31.62 2kb4 s ARG 60 CO 0.14 0.40 0.02 -0.59 -1.08 0.00 0.00 175.30 174.18 2kb4 s PHE 61 N -0.09 0.27 -0.01 5.89 -0.71 -0.94 -4.96 117.98 117.41 2kb4 s PHE 61 Ca 0.00 -0.58 -0.13 0.00 -1.04 0.00 0.00 56.93 55.19 2kb4 s PHE 61 Cb -0.13 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2kb4 s PHE 61 CO 0.03 -0.28 0.37 -0.48 -1.34 0.00 0.00 175.22 173.51 2kb4 s LEU 62 N -1.89 4.45 -0.34 -1.99 0.05 -1.26 -2.00 118.68 115.71 2kb4 s LEU 62 Ca -0.09 0.87 -0.29 0.00 0.05 0.00 0.00 54.13 54.68 2kb4 s LEU 62 Cb -0.04 -2.54 0.01 0.00 -2.05 0.00 0.00 46.19 41.58 2kb4 s LEU 62 CO -0.03 0.33 1.16 -0.76 -0.55 0.00 0.00 176.35 176.50 2kb4 s LEU 63 N -1.14 3.87 0.00 1.48 2.01 0.98 -4.72 118.68 121.16 2kb4 s LEU 63 Ca 0.23 1.01 0.00 0.00 0.01 0.00 0.00 54.13 55.38 2kb4 s LEU 63 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.50 2kb4 s LEU 63 CO 0.12 -1.01 0.68 -0.67 1.01 0.00 0.00 176.35 176.49 2kb4 n ASP 64 N 7.28 0.00 -3.89 2.29 2.03 -1.26 -4.02 116.55 118.98 2kb4 n ASP 64 Ca 0.13 -1.46 -0.30 0.00 0.52 0.00 0.00 54.79 53.67 2kb4 n ASP 64 Cb 0.47 -0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 40.63 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kb4 s GLN 65 N 0.00 1.27 0.25 -0.67 0.74 -1.26 -5.03 119.66 114.96 2kb4 s GLN 65 Ca 0.00 -1.22 -0.06 0.00 0.05 0.00 0.00 55.36 54.13 2kb4 s GLN 65 Cb 0.00 -2.55 0.47 0.00 1.10 0.00 0.00 33.01 32.04 2kb4 s GLN 65 CO 0.00 -0.81 1.63 -1.00 -0.55 0.00 0.00 175.29 174.56 2kb4 h PRO 66 N 7.92 0.10 -4.23 1.67 0.13 -1.91 -3.27 132.00 132.41 2kb4 h PRO 66 Ca -0.13 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 64.30 2kb4 h PRO 66 Cb 1.04 -0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.80 2kb4 h PRO 66 CO 0.46 0.07 -0.51 0.99 -0.23 0.00 0.00 178.00 178.78 2kb4 s THR 67 N -6.10 3.36 -0.30 1.56 2.01 -1.26 -2.06 115.64 112.86 2kb4 s THR 67 Ca -0.13 -2.32 -0.06 0.00 0.31 0.00 0.00 61.69 59.48 2kb4 s THR 67 Cb 0.23 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.48 2kb4 s THR 67 CO 0.76 -0.74 0.07 -0.89 -0.69 0.00 0.00 174.62 173.13 2kb4 s THR 68 N 0.79 3.86 -0.16 -0.82 2.01 -0.56 -5.00 115.64 115.76 2kb4 s THR 68 Ca 0.11 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2kb4 s THR 68 Cb -0.22 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2kb4 s THR 68 CO -0.04 0.05 0.04 -0.89 -0.69 0.00 0.00 174.62 173.09 2kb4 s THR 69 N 1.47 4.58 -0.18 -0.82 2.01 -1.26 -0.03 115.64 121.41 2kb4 s THR 69 Ca 0.02 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 2kb4 s THR 69 Cb -0.17 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2kb4 s THR 69 CO 0.02 0.49 0.06 0.00 -0.69 0.00 0.00 174.62 174.50 2kb4 s ALA 70 N 0.17 3.41 0.00 7.40 0.00 0.67 -2.67 121.76 130.74 2kb4 s ALA 70 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2kb4 s ALA 70 Cb -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2kb4 s ALA 70 CO 0.01 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2kb4 n GLY 71 N 3.46 2.24 0.06 0.00 0.00 -1.26 -0.16 105.19 109.54 2kb4 n GLY 71 Ca -0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 2kb4 n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kb4 h ARG 72 N 0.00 -0.01 0.00 1.61 2.43 -1.82 -1.40 114.38 115.19 2kb4 h ARG 72 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kb4 h ARG 72 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2kb4 h ARG 72 CO 0.00 0.08 0.00 1.58 -1.51 0.00 0.00 179.97 180.12 2kb4 n HIS 73 N -4.77 0.00 0.18 2.20 -0.00 -1.26 -3.22 115.22 108.35 2kb4 n HIS 73 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.86 2kb4 n HIS 73 Cb 0.05 0.00 0.75 0.00 -0.00 0.00 0.00 29.99 30.79 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2kb4 h PRO 74 N 0.00 0.00 0.00 1.57 0.11 -1.95 -1.90 132.00 129.84 2kb4 h PRO 74 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2kb4 h PRO 74 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2kb4 h PRO 74 CO 0.00 0.00 -0.46 0.39 -0.21 0.00 0.00 178.00 177.72 2kb4 n GLU 75 N -4.16 1.10 -3.81 1.05 1.02 -1.26 -5.03 120.64 109.55 2kb4 n GLU 75 Ca 0.02 -2.69 -0.12 0.00 -0.02 0.00 0.00 57.16 54.34 2kb4 n GLU 75 Cb 0.30 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.38 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb4 s SER 76 N -2.74 -0.18 0.11 1.62 0.01 -0.71 -4.76 113.70 107.05 2kb4 s SER 76 Ca 0.32 0.34 -0.14 0.00 1.31 0.00 0.00 55.95 57.79 2kb4 s SER 76 Cb 0.32 0.36 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 2kb4 s SER 76 CO -0.05 -0.07 1.46 -0.78 0.41 0.00 0.00 173.24 174.20 2kb4 h ASP 77 N 5.80 0.78 -2.82 2.44 3.58 -1.76 -3.43 116.42 121.02 2kb4 h ASP 77 Ca -0.25 -0.44 -0.65 0.00 0.42 0.00 0.00 57.03 56.11 2kb4 h ASP 77 Cb 1.20 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.96 2kb4 h ASP 77 CO 0.40 1.05 -0.51 0.27 -2.88 0.00 0.00 179.24 177.57 2kb4 s ILE 78 N -4.50 5.31 -0.31 2.25 -4.36 -1.26 -5.06 121.20 113.28 2kb4 s ILE 78 Ca -0.12 -0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 2kb4 s ILE 78 Cb 0.09 -3.43 -0.03 0.00 1.25 0.00 0.00 42.46 40.34 2kb4 s ILE 78 CO 0.83 0.41 0.20 0.72 0.24 0.00 0.00 174.94 177.34 2kb4 s PHE 79 N -1.22 3.21 -0.25 1.37 -0.71 -1.26 -3.98 117.98 115.14 2kb4 s PHE 79 Ca 0.23 -0.10 -0.12 0.00 -1.04 0.00 0.00 56.93 55.91 2kb4 s PHE 79 Cb -0.12 -2.41 -0.05 0.00 -1.21 0.00 0.00 43.02 39.23 2kb4 s PHE 79 CO 0.14 -0.28 0.23 -0.51 -1.34 0.00 0.00 175.22 173.46 2kb4 s LEU 80 N 1.73 4.08 -1.10 -1.99 1.02 -0.53 -4.57 118.68 117.32 2kb4 s LEU 80 Ca 0.06 0.15 -0.06 0.00 0.02 0.00 0.00 54.13 54.30 2kb4 s LEU 80 Cb -0.17 -2.20 0.30 0.00 0.02 0.00 0.00 46.19 44.14 2kb4 s LEU 80 CO 0.10 -0.02 1.36 -0.67 0.02 0.00 0.00 176.35 177.14 2kb4 n ASP 81 N 4.68 6.09 -3.19 2.29 2.03 -1.26 -4.68 116.55 122.51 2kb4 n ASP 81 Ca -0.13 -3.27 -0.17 0.00 0.52 0.00 0.00 54.79 51.74 2kb4 n ASP 81 Cb 0.52 -1.31 0.12 0.00 -0.72 0.00 0.00 41.12 39.72 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kb4 n ASP 82 N 1.86 0.15 0.07 1.67 -0.08 -1.26 -4.28 116.55 114.69 2kb4 n ASP 82 Ca 0.25 -1.34 0.04 0.00 -1.51 0.00 0.00 54.79 52.24 2kb4 n ASP 82 Cb 0.35 -0.58 -0.04 0.00 2.34 0.00 0.00 41.12 43.19 2kb4 n ASP 82 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2kb4 h VAL 83 N -1.34 0.35 -1.41 5.18 3.04 -1.95 -3.42 116.25 116.68 2kb4 h VAL 83 Ca -0.25 -1.65 -0.24 0.00 -1.01 0.00 0.00 66.70 63.54 2kb4 h VAL 83 Cb 0.71 1.89 -0.23 0.00 -2.01 0.00 0.00 31.29 31.65 2kb4 h VAL 83 CO 0.19 0.20 -0.60 -0.89 -1.01 0.00 0.00 177.57 175.46 2kb4 s THR 84 N -3.08 -0.65 -0.11 3.17 2.01 -1.26 -5.13 115.64 110.59 2kb4 s THR 84 Ca -0.01 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2kb4 s THR 84 Cb 0.09 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 2kb4 s THR 84 CO 0.79 -0.32 -0.03 0.54 -0.69 0.00 0.00 174.62 174.91 2kb4 s VAL 85 N 1.11 3.98 0.00 3.82 0.11 -1.26 -4.00 120.40 124.16 2kb4 s VAL 85 Ca 0.24 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2kb4 s VAL 85 Cb -0.04 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 2kb4 s VAL 85 CO -0.07 0.56 0.00 -1.54 -3.33 0.00 0.00 175.10 170.72 2kb4 n SER 86 N 2.68 0.00 0.00 3.54 3.41 -1.26 -4.95 113.62 117.03 2kb4 n SER 86 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2kb4 n SER 86 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2kb4 n SER 86 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kb4 n ARG 87 N -0.84 0.00 -3.89 4.33 1.85 -1.26 -4.61 116.66 112.23 2kb4 n ARG 87 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2kb4 n ARG 87 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 2kb4 n ARG 87 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2kb4 s ARG 88 N -0.92 1.17 -0.15 2.89 1.81 -1.26 -3.66 118.95 118.83 2kb4 s ARG 88 Ca 0.00 -1.44 -0.13 0.00 -1.72 0.00 0.00 55.73 52.44 2kb4 s ARG 88 Cb 0.00 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 2kb4 s ARG 88 CO 0.00 -0.92 -0.26 1.58 -0.68 0.00 0.00 175.30 175.02 2kb4 n HIS 89 N 4.55 0.38 -3.82 -0.53 -0.00 0.78 -2.75 115.22 113.82 2kb4 n HIS 89 Ca -0.00 0.16 -0.12 0.00 0.46 0.00 0.00 57.72 58.22 2kb4 n HIS 89 Cb 0.42 -0.59 -0.11 0.00 -0.12 0.00 0.00 29.99 29.60 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -2.84 -0.46 -0.19 1.57 0.00 -0.89 -2.42 121.76 116.52 2kb4 s ALA 90 Ca -0.21 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 2kb4 s ALA 90 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2kb4 s ALA 90 CO 0.32 -0.15 0.06 -1.21 0.00 0.00 0.00 175.76 174.78 2kb4 s GLU 91 N -0.54 3.90 -0.35 0.00 0.41 0.10 -0.24 118.70 121.99 2kb4 s GLU 91 Ca -0.06 -0.38 -0.10 0.00 -0.41 0.00 0.00 54.97 54.02 2kb4 s GLU 91 Cb -0.04 -3.23 0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2kb4 s GLU 91 CO 0.01 0.18 0.18 -0.06 -0.49 0.00 0.00 175.26 175.08 2kb4 s PHE 92 N 0.62 3.22 -0.24 1.61 0.40 0.95 -1.17 117.98 123.37 2kb4 s PHE 92 Ca 0.03 -0.86 -0.08 0.00 -0.60 0.00 0.00 56.93 55.42 2kb4 s PHE 92 Cb -0.13 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2kb4 s PHE 92 CO 0.01 -0.59 0.09 1.03 0.70 0.00 0.00 175.22 176.47 2kb4 s ARG 93 N 1.57 3.78 -0.23 0.44 3.00 0.88 -1.50 118.95 126.88 2kb4 s ARG 93 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 55.73 55.33 2kb4 s ARG 93 Cb -0.18 -3.37 0.03 0.00 0.00 0.00 0.00 34.95 31.42 2kb4 s ARG 93 CO 0.06 -0.09 -0.10 -1.50 0.00 0.00 0.00 175.30 173.67 2kb4 s ILE 94 N 1.38 2.61 0.08 1.52 -1.16 -0.87 -0.15 121.20 124.61 2kb4 s ILE 94 Ca 0.06 -1.05 0.07 0.00 -0.51 0.00 0.00 60.65 59.22 2kb4 s ILE 94 Cb -0.15 -2.29 -0.04 0.00 0.61 0.00 0.00 42.46 40.59 2kb4 s ILE 94 CO 0.05 0.27 -0.13 0.21 -2.81 0.00 0.00 174.94 172.52 2kb4 s ASN 95 N 1.30 4.19 0.00 4.50 2.47 0.53 -4.39 114.94 123.52 2kb4 s ASN 95 Ca 0.01 -0.40 0.00 0.00 0.42 0.00 0.00 52.86 52.89 2kb4 s ASN 95 Cb -0.16 -0.76 0.00 0.00 -1.45 0.00 0.00 41.25 38.88 2kb4 s ASN 95 CO -0.07 0.21 0.00 -1.84 -3.72 0.00 0.00 177.10 171.68 2kb4 n GLU 96 N 1.03 0.00 0.00 0.43 0.28 -1.26 -2.27 120.64 118.85 2kb4 n GLU 96 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2kb4 n GLU 96 Cb 0.52 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.44 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kb4 n GLY 97 N 0.54 -0.04 3.33 -1.84 0.00 -1.26 -3.99 105.19 101.93 2kb4 n GLY 97 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -1.37 1.83 -0.24 1.61 2.02 -0.96 -2.87 118.70 118.72 2kb4 s GLU 98 Ca 0.00 -1.07 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 2kb4 s GLU 98 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2kb4 s GLU 98 CO 0.00 0.51 0.08 -0.06 0.02 0.00 0.00 175.26 175.82 2kb4 s PHE 99 N -0.77 3.12 -0.03 1.61 0.40 -1.26 -0.35 117.98 120.69 2kb4 s PHE 99 Ca 0.11 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2kb4 s PHE 99 Cb -0.10 -2.23 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 2kb4 s PHE 99 CO 0.02 -0.26 -0.15 -1.21 0.70 0.00 0.00 175.22 174.31 2kb4 s GLU 100 N 1.45 1.50 -0.21 0.44 2.02 0.79 -0.05 118.70 124.63 2kb4 s GLU 100 Ca 0.06 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 2kb4 s GLU 100 Cb -0.15 -1.34 0.01 0.00 0.10 0.00 0.00 34.13 32.75 2kb4 s GLU 100 CO 0.04 0.23 -0.10 0.54 0.02 0.00 0.00 175.26 176.00 2kb4 s VAL 101 N -0.00 2.85 -0.10 2.63 0.11 0.20 -0.08 120.40 126.00 2kb4 s VAL 101 Ca -0.02 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2kb4 s VAL 101 Cb -0.10 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 2kb4 s VAL 101 CO 0.01 0.40 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.26 2kb4 s VAL 102 N 1.38 2.03 -0.03 2.04 1.01 -0.32 -0.62 120.40 125.90 2kb4 s VAL 102 Ca 0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2kb4 s VAL 102 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2kb4 s VAL 102 CO -0.07 0.55 0.84 -0.62 0.00 0.00 0.00 175.10 175.80 2kb4 s ASP 103 N 0.35 7.18 -0.04 3.32 -1.08 -0.08 0.00 116.67 126.33 2kb4 s ASP 103 Ca -0.19 1.43 0.05 0.00 -0.52 0.00 0.00 52.55 53.32 2kb4 s ASP 103 Cb -0.18 -2.49 0.08 0.00 -1.46 0.00 0.00 42.92 38.87 2kb4 s ASP 103 CO 0.09 -0.18 0.98 1.33 0.52 0.00 0.00 175.17 177.91 2kb4 n VAL 104 N 3.78 1.05 0.00 1.11 0.24 -1.02 -4.89 118.33 118.60 2kb4 n VAL 104 Ca 0.02 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 2kb4 n VAL 104 Cb 0.51 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N -0.67 0.00 3.72 7.63 0.00 -1.11 -4.80 105.19 109.95 2kb4 n GLY 105 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kb4 n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb4 s SER 106 N 0.00 7.40 0.41 1.61 0.15 -1.16 -4.49 113.70 117.62 2kb4 s SER 106 Ca 0.00 1.72 0.27 0.00 0.70 0.00 0.00 55.95 58.63 2kb4 s SER 106 Cb 0.00 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.52 2kb4 s SER 106 CO 0.00 -0.20 1.76 -0.07 1.20 0.00 0.00 173.24 175.93 2kb4 h LEU 107 N 6.38 0.00 0.10 3.45 -0.00 -1.93 -3.02 115.31 120.29 2kb4 h LEU 107 Ca -0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.13 2kb4 h LEU 107 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 2kb4 h LEU 107 CO 0.74 0.00 -1.84 0.78 -0.00 0.00 0.00 178.44 178.12 2kb4 h ASN 108 N 0.00 0.34 -1.21 -0.43 2.35 -1.87 -3.51 115.58 111.25 2kb4 h ASN 108 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 2kb4 h ASN 108 Cb 0.74 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2kb4 h ASN 108 CO 0.00 1.59 0.00 0.61 -1.65 0.00 0.00 177.43 177.98 2kb4 n GLY 109 N 1.83 -0.57 3.64 2.83 0.00 -1.14 -4.88 105.19 106.91 2kb4 n GLY 109 Ca -0.25 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.04 4.85 0.11 2.61 2.01 -1.26 -3.36 115.64 120.55 2kb4 s THR 110 Ca 0.00 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.54 2kb4 s THR 110 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2kb4 s THR 110 CO 0.00 -0.06 0.01 -0.31 -0.69 0.00 0.00 174.62 173.57 2kb4 s TYR 111 N 2.79 0.79 -0.09 4.92 2.02 -0.76 -4.14 117.35 122.87 2kb4 s TYR 111 Ca 0.34 -1.13 -0.06 0.00 -0.37 0.00 0.00 57.07 55.85 2kb4 s TYR 111 Cb -0.15 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2kb4 s TYR 111 CO 0.08 -0.41 0.14 0.08 -1.57 0.00 0.00 175.55 173.87 2kb4 s VAL 112 N -3.93 5.43 0.59 0.71 1.01 -0.97 -0.08 120.40 123.16 2kb4 s VAL 112 Ca 0.18 0.10 0.30 0.00 0.00 0.00 0.00 61.98 62.55 2kb4 s VAL 112 Cb 0.07 -3.40 0.36 0.00 0.00 0.00 0.00 36.38 33.41 2kb4 s VAL 112 CO -0.02 0.55 2.26 -0.55 0.00 0.00 0.00 175.10 177.34 2kb4 h ASN 113 N 4.71 0.00 -0.00 3.32 7.08 -1.59 -1.20 115.58 127.89 2kb4 h ASN 113 Ca -0.53 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.69 2kb4 h ASN 113 Cb 1.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2kb4 h ASN 113 CO 0.60 0.00 -0.62 0.54 -2.08 0.00 0.00 177.43 175.87 2kb4 n ARG 114 N -3.82 2.23 -3.78 4.14 1.74 -1.26 -4.93 116.66 110.97 2kb4 n ARG 114 Ca -0.03 -0.11 -0.27 0.00 -0.77 0.00 0.00 57.85 56.67 2kb4 n ARG 114 Cb 0.08 -1.18 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N -2.27 0.85 -1.23 5.56 2.56 -0.45 -5.03 118.70 118.69 2kb4 s GLU 115 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 54.97 54.58 2kb4 s GLU 115 Cb 0.11 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.26 2kb4 s GLU 115 CO 0.56 -0.54 2.48 -2.30 -0.56 0.00 0.00 175.26 174.90 2kb4 n PRO 116 N 5.01 2.79 -4.59 4.30 -0.02 -1.26 -2.29 135.00 138.94 2kb4 n PRO 116 Ca -0.09 -1.82 -0.24 0.00 -2.02 0.00 0.00 63.50 59.32 2kb4 n PRO 116 Cb 0.48 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 2kb4 n PRO 116 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kb4 s ARG 117 N 2.92 1.58 0.30 -0.52 1.81 -1.26 -5.00 118.95 118.77 2kb4 s ARG 117 Ca 0.53 -0.42 0.24 0.00 -1.72 0.00 0.00 55.73 54.36 2kb4 s ARG 117 Cb 0.14 -1.34 0.34 0.00 -0.45 0.00 0.00 34.95 33.64 2kb4 s ARG 117 CO -0.04 0.08 1.46 -2.95 -0.68 0.00 0.00 175.30 173.17 2kb4 h ASN 118 N 6.75 0.00 -3.73 0.23 -1.07 -1.88 -3.35 115.58 112.54 2kb4 h ASN 118 Ca -0.32 -0.03 -0.50 0.00 0.07 0.00 0.00 56.30 55.52 2kb4 h ASN 118 Cb 1.18 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 37.11 2kb4 h ASN 118 CO 0.48 0.01 -0.81 0.00 0.07 0.00 0.00 177.43 177.18 2kb4 s ALA 119 N -3.22 1.22 0.01 4.14 0.00 -1.26 -0.90 121.76 121.74 2kb4 s ALA 119 Ca 0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2kb4 s ALA 119 Cb 0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2kb4 s ALA 119 CO 0.69 0.18 0.13 -1.14 0.00 0.00 0.00 175.76 175.63 2kb4 s GLN 120 N 0.28 0.50 0.02 0.00 2.00 0.21 -4.99 119.66 117.69 2kb4 s GLN 120 Ca -0.07 -0.46 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 2kb4 s GLN 120 Cb -0.12 0.21 -0.04 0.00 0.80 0.00 0.00 33.01 33.86 2kb4 s GLN 120 CO 0.02 -0.12 0.99 0.54 -0.50 0.00 0.00 175.29 176.22 2kb4 s VAL 121 N -1.59 4.77 0.72 1.34 0.11 -1.26 -0.63 120.40 123.86 2kb4 s VAL 121 Ca -0.13 2.03 -0.14 0.00 -2.93 0.00 0.00 61.98 60.81 2kb4 s VAL 121 Cb -0.07 -4.30 0.04 0.00 -1.53 0.00 0.00 36.38 30.52 2kb4 s VAL 121 CO 0.01 0.18 1.14 -0.04 -3.33 0.00 0.00 175.10 173.05 2kb4 s MET 122 N 0.88 2.35 -0.03 1.54 -1.94 0.93 -4.93 119.30 118.09 2kb4 s MET 122 Ca 0.52 1.46 0.02 0.00 -1.71 0.00 0.00 55.69 55.98 2kb4 s MET 122 Cb -0.22 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.74 2kb4 s MET 122 CO 0.28 -1.62 -0.08 -1.14 -0.01 0.00 0.00 175.02 172.46 2kb4 s GLN 123 N -4.25 0.95 -0.04 2.03 2.00 -1.26 -4.60 119.66 114.48 2kb4 s GLN 123 Ca 0.68 -0.27 -0.30 0.00 -2.00 0.00 0.00 55.36 53.47 2kb4 s GLN 123 Cb -0.22 -0.88 -0.02 0.00 0.80 0.00 0.00 33.01 32.68 2kb4 s GLN 123 CO 0.47 0.07 1.00 -0.08 -0.50 0.00 0.00 175.29 176.25 2kb4 s THR 124 N 0.33 4.79 0.00 -0.34 -1.32 -1.26 -3.11 115.64 114.74 2kb4 s THR 124 Ca -0.05 2.02 0.00 0.00 -1.21 0.00 0.00 61.69 62.45 2kb4 s THR 124 Cb -0.10 -4.30 0.00 0.00 -1.51 0.00 0.00 72.50 66.60 2kb4 s THR 124 CO 0.01 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 2kb4 n GLY 125 N 2.99 0.85 3.59 6.08 0.00 0.58 -4.95 105.19 114.34 2kb4 n GLY 125 Ca 0.07 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.33 3.40 -0.09 1.61 -1.08 -1.18 -5.00 116.67 112.01 2kb4 s ASP 126 Ca 0.00 -1.47 0.01 0.00 -0.52 0.00 0.00 52.55 50.57 2kb4 s ASP 126 Cb 0.00 0.01 0.02 0.00 -1.46 0.00 0.00 42.92 41.49 2kb4 s ASP 126 CO 0.00 -0.64 -0.10 -0.70 0.52 0.00 0.00 175.17 174.24 2kb4 s GLU 127 N -3.80 1.63 -0.15 4.34 2.12 -1.26 -1.33 118.70 120.25 2kb4 s GLU 127 Ca 0.27 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.23 2kb4 s GLU 127 Cb 0.07 -1.49 -0.03 0.00 0.26 0.00 0.00 34.13 32.95 2kb4 s GLU 127 CO 0.13 -0.10 -0.05 0.42 -0.54 0.00 0.00 175.26 175.13 2kb4 s ILE 128 N 1.11 3.82 -0.38 -3.70 1.01 0.11 -1.40 121.20 121.78 2kb4 s ILE 128 Ca -0.06 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2kb4 s ILE 128 Cb -0.14 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2kb4 s ILE 128 CO -0.02 0.51 0.34 -1.58 0.00 0.00 0.00 174.94 174.19 2kb4 s GLN 129 N 0.26 3.28 -0.68 2.79 0.74 0.89 -1.23 119.66 125.70 2kb4 s GLN 129 Ca -0.03 -0.71 -0.21 0.00 0.05 0.00 0.00 55.36 54.46 2kb4 s GLN 129 Cb -0.14 -3.89 0.09 0.00 1.10 0.00 0.00 33.01 30.17 2kb4 s GLN 129 CO 0.03 -0.65 0.89 0.96 -0.55 0.00 0.00 175.29 175.98 2kb4 s ILE 130 N 1.89 4.59 0.00 -2.34 -4.36 0.10 -1.83 121.20 119.25 2kb4 s ILE 130 Ca 0.09 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 2kb4 s ILE 130 Cb -0.17 -4.63 0.00 0.00 1.25 0.00 0.00 42.46 38.91 2kb4 s ILE 130 CO 0.11 -1.34 0.00 0.61 0.24 0.00 0.00 174.94 174.56 2kb4 n GLY 131 N 5.31 1.91 0.00 6.27 0.00 -1.21 -1.33 105.19 116.13 2kb4 n GLY 131 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 1.72 -3.46 1.61 3.00 -1.26 -4.42 118.16 115.35 2kb4 n LYS 132 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 2kb4 n LYS 132 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 35.03 34.86 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kb4 s PHE 133 N -0.21 3.49 -0.27 5.64 0.08 -0.44 -5.04 117.98 121.22 2kb4 s PHE 133 Ca 0.00 0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.36 2kb4 s PHE 133 Cb 0.00 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2kb4 s PHE 133 CO 0.00 0.21 0.20 0.50 -0.10 0.00 0.00 175.22 176.03 2kb4 s ARG 134 N -3.84 3.97 -0.08 0.44 3.52 -0.74 -0.72 118.95 121.49 2kb4 s ARG 134 Ca 0.41 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 2kb4 s ARG 134 Cb -0.10 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2kb4 s ARG 134 CO 0.32 -0.16 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.32 2kb4 s LEU 135 N 1.70 1.81 -0.18 -0.88 0.20 -0.37 -1.83 118.68 119.14 2kb4 s LEU 135 Ca 0.08 -0.41 -0.05 0.00 0.69 0.00 0.00 54.13 54.44 2kb4 s LEU 135 Cb -0.16 -1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 2kb4 s LEU 135 CO 0.10 0.07 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.54 2kb4 s VAL 136 N 0.61 4.09 -0.22 1.68 1.01 0.77 0.08 120.40 128.42 2kb4 s VAL 136 Ca -0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2kb4 s VAL 136 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2kb4 s VAL 136 CO 0.05 0.46 0.11 0.12 0.00 0.00 0.00 175.10 175.84 2kb4 s PHE 137 N 0.59 3.25 -0.01 5.22 5.36 -0.45 -0.26 117.98 131.69 2kb4 s PHE 137 Ca -0.01 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2kb4 s PHE 137 Cb -0.14 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2kb4 s PHE 137 CO 0.02 0.02 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.28 2kb4 s LEU 138 N 0.93 1.85 -0.99 6.12 1.43 -0.26 -0.31 118.68 127.45 2kb4 s LEU 138 Ca 0.06 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2kb4 s LEU 138 Cb -0.13 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.04 2kb4 s LEU 138 CO 0.03 -0.00 1.43 0.00 0.23 0.00 0.00 176.35 178.03 2kb4 s ALA 139 N 0.16 2.73 0.00 4.21 0.00 -1.26 -0.98 121.76 126.61 2kb4 s ALA 139 Ca -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.76 2kb4 s ALA 139 Cb -0.03 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2kb4 s ALA 139 CO -0.00 -3.58 0.37 0.41 0.00 0.00 0.00 175.76 172.95 2kb4 n GLY 140 N 6.73 -1.64 3.66 0.00 0.00 -1.26 -4.68 105.19 108.00 2kb4 n GLY 140 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N -0.75 4.27 -0.55 1.61 0.05 -1.26 -4.99 135.00 133.38 2kb4 s PRO 141 Ca 0.00 1.24 -0.21 0.00 0.05 0.00 0.00 61.00 62.08 2kb4 s PRO 141 Cb 0.00 -3.62 0.06 0.00 0.05 0.00 0.00 34.50 30.99 2kb4 s PRO 141 CO 0.00 -0.54 0.78 0.00 0.05 0.00 0.00 177.00 177.28 2kb4 s ALA 142 N 2.89 3.28 0.00 8.56 0.00 -1.26 -4.60 121.76 130.64 2kb4 s ALA 142 Ca 0.42 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2kb4 s ALA 142 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kb4 s ALA 142 CO 0.08 -2.27 0.00 -1.91 0.00 0.00 0.00 175.76 171.66