#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 0.72 -4.00 3.17 0.02 -2.09 -3.44 113.55 107.93 2kb4 h SER 2 Ca 0.00 -0.66 -0.49 0.00 -0.84 0.00 0.00 61.79 59.80 2kb4 h SER 2 Cb 0.00 -0.23 0.04 0.00 0.14 0.00 0.00 62.40 62.35 2kb4 h SER 2 CO 0.00 1.48 0.43 1.51 -1.14 0.00 0.00 176.83 179.11 2kb4 s ASP 3 N -7.30 6.45 0.15 3.07 -4.77 -1.26 -4.95 116.67 108.06 2kb4 s ASP 3 Ca -0.08 2.11 0.08 0.00 -3.30 0.00 0.00 52.55 51.37 2kb4 s ASP 3 Cb 0.07 -2.59 -0.12 0.00 -1.09 0.00 0.00 42.92 39.19 2kb4 s ASP 3 CO 0.91 -0.71 1.33 -1.13 0.70 0.00 0.00 175.17 176.27 2kb4 h ASN 4 N 2.14 0.00 -4.29 2.11 -0.73 -2.09 -3.49 115.58 109.23 2kb4 h ASN 4 Ca -0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.68 2kb4 h ASN 4 Cb 1.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.82 2kb4 h ASN 4 CO 0.61 0.90 -0.57 -3.20 -0.37 0.00 0.00 177.43 174.81 2kb4 n ASN 5 N -3.38 -5.63 0.00 1.15 5.15 -1.26 -4.81 115.26 106.48 2kb4 n ASN 5 Ca 0.00 0.81 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 2kb4 n ASN 5 Cb 0.88 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 2kb4 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb4 n GLY 6 N 0.34 -1.14 3.38 8.20 0.00 -1.26 -5.02 105.19 109.68 2kb4 n GLY 6 Ca 0.01 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 7 N -0.58 3.47 0.39 2.61 2.01 -1.26 -5.09 115.64 117.18 2kb4 s THR 7 Ca 0.00 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 2kb4 s THR 7 Cb 0.00 -2.54 -0.09 0.00 0.01 0.00 0.00 72.50 69.88 2kb4 s THR 7 CO 0.00 0.46 1.30 -2.16 -0.69 0.00 0.00 174.62 173.53 2kb4 s PRO 8 N 0.95 4.04 0.08 4.92 0.04 -1.26 -5.05 135.00 138.72 2kb4 s PRO 8 Ca -0.00 2.15 0.09 0.00 0.04 0.00 0.00 61.00 63.28 2kb4 s PRO 8 Cb -0.15 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2kb4 s PRO 8 CO 0.01 -0.43 -0.25 -1.21 0.04 0.00 0.00 177.00 175.16 2kb4 s GLU 9 N -2.16 1.50 0.77 4.56 2.02 -1.26 -5.13 118.70 119.00 2kb4 s GLU 9 Ca 0.55 -1.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 2kb4 s GLU 9 Cb -0.38 -1.77 0.06 0.00 0.10 0.00 0.00 34.13 32.14 2kb4 s GLU 9 CO 0.49 0.44 1.21 -2.14 0.02 0.00 0.00 175.26 175.28 2kb4 s PRO 10 N -1.55 1.88 0.60 0.39 0.02 -1.26 -4.98 135.00 130.11 2kb4 s PRO 10 Ca 0.11 1.75 -0.18 0.00 0.02 0.00 0.00 61.00 62.70 2kb4 s PRO 10 Cb -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 2kb4 s PRO 10 CO 0.03 -2.03 1.18 1.14 -0.33 0.00 0.00 177.00 176.99 2kb4 s GLN 11 N -4.04 2.99 -0.10 5.54 -2.07 -1.26 -4.99 119.66 115.73 2kb4 s GLN 11 Ca 0.74 1.72 -0.22 0.00 -1.82 0.00 0.00 55.36 55.78 2kb4 s GLN 11 Cb -0.29 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.65 2kb4 s GLN 11 CO 0.48 -1.17 0.63 0.54 -1.32 0.00 0.00 175.29 174.45 2kb4 s VAL 12 N -1.75 5.08 0.27 3.63 0.11 -1.26 -5.04 120.40 121.44 2kb4 s VAL 12 Ca 0.75 1.27 -0.29 0.00 -2.93 0.00 0.00 61.98 60.78 2kb4 s VAL 12 Cb -0.28 -3.96 -0.09 0.00 -1.53 0.00 0.00 36.38 30.52 2kb4 s VAL 12 CO 0.33 0.25 0.99 -1.83 -3.33 0.00 0.00 175.10 171.51 2kb4 s GLU 13 N 0.91 4.74 -0.07 1.54 -1.05 -1.26 -5.05 118.70 118.46 2kb4 s GLU 13 Ca 0.33 1.56 -0.04 0.00 -0.15 0.00 0.00 54.97 56.67 2kb4 s GLU 13 Cb -0.17 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 30.31 2kb4 s GLU 13 CO 0.15 0.38 0.12 -0.08 0.95 0.00 0.00 175.26 176.78 2kb4 s THR 14 N -1.24 5.20 0.12 1.83 -1.32 -1.26 -5.09 115.64 113.88 2kb4 s THR 14 Ca 0.44 -0.03 -0.21 0.00 -1.21 0.00 0.00 61.69 60.67 2kb4 s THR 14 Cb -0.27 -3.31 0.06 0.00 -1.51 0.00 0.00 72.50 67.47 2kb4 s THR 14 CO 0.33 0.51 0.53 0.28 -2.21 0.00 0.00 174.62 174.06 2kb4 s THR 15 N -1.10 0.03 -0.53 5.08 -1.32 -1.26 -5.11 115.64 111.42 2kb4 s THR 15 Ca 0.19 -0.22 -0.17 0.00 -1.21 0.00 0.00 61.69 60.28 2kb4 s THR 15 Cb -0.12 -1.04 0.11 0.00 -1.51 0.00 0.00 72.50 69.93 2kb4 s THR 15 CO 0.09 -0.12 0.52 -0.55 -2.21 0.00 0.00 174.62 172.35 2kb4 s SER 16 N -2.53 6.18 -0.36 8.08 0.15 -1.26 -5.00 113.70 118.96 2kb4 s SER 16 Ca -0.00 -1.56 0.02 0.00 0.70 0.00 0.00 55.95 55.10 2kb4 s SER 16 Cb -0.00 -2.23 0.11 0.00 -1.71 0.00 0.00 66.02 62.19 2kb4 s SER 16 CO -0.09 -0.86 0.11 0.54 1.20 0.00 0.00 173.24 174.14 2kb4 s VAL 17 N 1.88 1.63 -0.17 4.45 0.11 -1.26 -5.06 120.40 121.99 2kb4 s VAL 17 Ca 0.06 -2.08 -0.28 0.00 -2.93 0.00 0.00 61.98 56.75 2kb4 s VAL 17 Cb -0.27 -2.20 0.08 0.00 -1.53 0.00 0.00 36.38 32.46 2kb4 s VAL 17 CO 0.05 -0.69 0.75 0.72 -3.33 0.00 0.00 175.10 172.61 2kb4 s PHE 18 N 1.01 -0.67 0.13 1.54 -0.12 -1.26 -5.18 117.98 113.44 2kb4 s PHE 18 Ca 0.12 1.42 -0.01 0.00 -0.05 0.00 0.00 56.93 58.41 2kb4 s PHE 18 Cb -0.20 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 2kb4 s PHE 18 CO -0.13 -0.46 0.19 0.54 -0.05 0.00 0.00 175.22 175.30 2kb4 n ARG 19 N 1.73 0.27 -1.54 1.99 1.74 -1.26 -5.01 116.66 114.58 2kb4 n ARG 19 Ca -0.16 -1.07 -0.35 0.00 -0.77 0.00 0.00 57.85 55.50 2kb4 n ARG 19 Cb 0.56 1.03 -0.04 0.00 -1.02 0.00 0.00 32.46 32.99 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb4 n ALA 20 N -2.12 7.05 0.13 7.54 0.00 -1.26 -4.50 120.51 127.35 2kb4 n ALA 20 Ca -0.05 -3.48 0.05 0.00 0.00 0.00 0.00 53.44 49.96 2kb4 n ALA 20 Cb 0.22 -2.91 0.03 0.00 0.00 0.00 0.00 19.45 16.80 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb4 h ASP 21 N 4.41 0.00 -3.84 0.00 1.82 -2.03 -3.45 116.42 113.32 2kb4 h ASP 21 Ca 0.68 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.82 2kb4 h ASP 21 Cb 0.48 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.52 2kb4 h ASP 21 CO 1.40 0.36 0.50 -0.22 -1.61 0.00 0.00 179.24 179.66 2kb4 s LEU 22 N -6.16 4.47 0.35 2.28 0.20 -1.26 -5.04 118.68 113.51 2kb4 s LEU 22 Ca 0.03 2.33 0.09 0.00 0.69 0.00 0.00 54.13 57.27 2kb4 s LEU 22 Cb 0.07 -3.71 -0.05 0.00 -0.43 0.00 0.00 46.19 42.07 2kb4 s LEU 22 CO 0.75 -0.29 0.04 -1.48 -0.29 0.00 0.00 176.35 175.08 2kb4 s LEU 23 N -1.70 3.03 -0.04 -0.68 0.05 -1.26 -5.10 118.68 112.98 2kb4 s LEU 23 Ca 0.47 -0.98 -0.30 0.00 0.05 0.00 0.00 54.13 53.38 2kb4 s LEU 23 Cb -0.32 -1.40 -0.02 0.00 -2.05 0.00 0.00 46.19 42.39 2kb4 s LEU 23 CO 0.42 -0.28 0.98 -0.54 -0.55 0.00 0.00 176.35 176.38 2kb4 s LYS 24 N -3.75 4.51 0.42 1.48 3.01 -1.26 -5.04 119.74 119.12 2kb4 s LYS 24 Ca 0.36 1.40 0.07 0.00 -1.01 0.00 0.00 55.97 56.78 2kb4 s LYS 24 Cb 0.00 -3.49 0.01 0.00 -1.01 0.00 0.00 37.83 33.35 2kb4 s LYS 24 CO 0.20 -0.13 0.58 -1.83 0.51 0.00 0.00 175.35 174.68 2kb4 s GLU 25 N 1.33 2.86 0.47 1.68 1.03 -1.26 -5.13 118.70 119.68 2kb4 s GLU 25 Ca 0.50 -1.11 0.03 0.00 0.03 0.00 0.00 54.97 54.42 2kb4 s GLU 25 Cb -0.20 -2.73 -0.03 0.00 -0.80 0.00 0.00 34.13 30.37 2kb4 s GLU 25 CO 0.25 -0.26 0.01 -1.64 -1.33 0.00 0.00 175.26 172.29 2kb4 s MET 26 N -4.38 2.11 0.35 -4.83 -1.94 -1.26 -5.14 119.30 104.22 2kb4 s MET 26 Ca 0.53 -2.30 -0.10 0.00 -1.71 0.00 0.00 55.69 52.11 2kb4 s MET 26 Cb -0.10 -1.49 -0.07 0.00 2.01 0.00 0.00 34.83 35.19 2kb4 s MET 26 CO 0.33 -0.28 0.70 -2.00 -0.01 0.00 0.00 175.02 173.76 2kb4 s GLU 27 N -3.83 3.79 0.25 2.03 2.56 -1.26 -5.08 118.70 117.16 2kb4 s GLU 27 Ca 0.15 0.40 0.06 0.00 0.00 0.00 0.00 54.97 55.58 2kb4 s GLU 27 Cb 0.04 -2.47 -0.03 0.00 2.00 0.00 0.00 34.13 33.67 2kb4 s GLU 27 CO 0.08 0.07 0.27 -1.12 -0.56 0.00 0.00 175.26 174.00 2kb4 s SER 28 N -2.94 5.88 0.16 -1.70 0.01 -1.26 -5.07 113.70 108.79 2kb4 s SER 28 Ca 0.50 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.35 2kb4 s SER 28 Cb -0.10 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.43 2kb4 s SER 28 CO 0.28 -0.05 1.33 -0.44 0.41 0.00 0.00 173.24 174.77 2kb4 s SER 29 N -3.89 6.88 -0.53 2.44 0.01 -1.26 -4.97 113.70 112.38 2kb4 s SER 29 Ca 0.33 2.36 -0.22 0.00 1.31 0.00 0.00 55.95 59.73 2kb4 s SER 29 Cb -0.08 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.59 2kb4 s SER 29 CO 0.27 -0.57 0.81 0.28 0.41 0.00 0.00 173.24 174.45 2kb4 s THR 30 N 0.48 4.58 0.09 1.44 -1.32 -1.26 -5.02 115.64 114.64 2kb4 s THR 30 Ca 0.59 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.90 2kb4 s THR 30 Cb -0.36 -4.44 -0.07 0.00 -1.51 0.00 0.00 72.50 66.12 2kb4 s THR 30 CO 0.35 -0.98 0.56 -0.83 -2.21 0.00 0.00 174.62 171.52 2kb4 s GLY 31 N 2.74 2.61 0.44 6.08 0.00 -1.26 -5.07 107.32 112.86 2kb4 s GLY 31 Ca 0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.88 2kb4 s GLY 31 CO 0.17 0.38 0.77 -0.51 0.00 0.00 0.00 173.10 173.90 2kb4 s THR 32 N -1.20 4.86 -0.30 0.90 -4.23 -1.26 -5.03 115.64 109.39 2kb4 s THR 32 Ca 0.31 0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 2kb4 s THR 32 Cb -0.18 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.87 2kb4 s THR 32 CO 0.19 -0.69 1.10 0.00 -0.54 0.00 0.00 174.62 174.68 2kb4 s ALA 33 N -2.55 3.52 -0.20 3.99 0.00 -1.26 -5.00 121.76 120.26 2kb4 s ALA 33 Ca 0.49 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2kb4 s ALA 33 Cb -0.10 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 2kb4 s ALA 33 CO 0.38 -1.43 1.12 -2.14 0.00 0.00 0.00 175.76 173.69 2kb4 s PRO 34 N 3.63 4.26 -0.30 0.00 0.02 -1.26 -5.02 135.00 136.33 2kb4 s PRO 34 Ca 0.47 1.47 -0.02 0.00 0.02 0.00 0.00 61.00 62.94 2kb4 s PRO 34 Cb -0.13 -3.67 0.05 0.00 0.02 0.00 0.00 34.50 30.76 2kb4 s PRO 34 CO 0.15 -0.63 0.00 0.00 -0.33 0.00 0.00 177.00 176.18 2kb4 s ALA 35 N 3.20 2.82 0.16 -1.55 0.00 -1.26 -5.08 121.76 120.05 2kb4 s ALA 35 Ca 0.48 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 2kb4 s ALA 35 Cb -0.18 -1.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 2kb4 s ALA 35 CO 0.10 -1.26 1.04 -1.12 0.00 0.00 0.00 175.76 174.53 2kb4 s SER 36 N 1.26 7.37 0.81 0.00 0.01 -1.26 -5.02 113.70 116.87 2kb4 s SER 36 Ca -0.05 1.98 -0.12 0.00 1.31 0.00 0.00 55.95 59.08 2kb4 s SER 36 Cb -0.20 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.52 2kb4 s SER 36 CO -0.01 -0.14 1.14 -0.89 0.41 0.00 0.00 173.24 173.74 2kb4 s THR 37 N -0.23 2.63 -1.10 1.44 2.01 -1.26 -4.85 115.64 114.28 2kb4 s THR 37 Ca 0.48 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.48 2kb4 s THR 37 Cb -0.27 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 2kb4 s THR 37 CO 0.33 -0.24 1.91 -0.83 -0.69 0.00 0.00 174.62 175.10 2kb4 s GLY 38 N -2.77 0.29 -0.02 4.40 0.00 -1.26 -4.72 107.32 103.24 2kb4 s GLY 38 Ca 0.66 -2.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.13 2kb4 s GLY 38 CO 0.53 3.46 1.15 0.00 0.00 0.00 0.00 173.10 178.25 2kb4 h ALA 39 N 10.06 -0.22 0.00 3.20 0.00 -1.89 -3.13 119.26 127.29 2kb4 h ALA 39 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kb4 h ALA 39 Cb 0.96 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kb4 h ALA 39 CO 1.24 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.25 2kb4 n GLU 40 N -4.98 0.05 0.09 0.00 0.00 -1.24 -1.65 120.64 112.90 2kb4 n GLU 40 Ca -0.09 0.45 0.11 0.00 0.00 0.00 0.00 57.16 57.64 2kb4 n GLU 40 Cb 0.25 -1.63 0.45 0.00 0.00 0.00 0.00 31.44 30.52 2kb4 n GLU 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kb4 n ASN 41 N -1.72 0.53 -4.67 -1.84 3.02 -1.18 -4.86 115.26 104.54 2kb4 n ASN 41 Ca 0.01 0.60 -0.34 0.00 -0.03 0.00 0.00 54.58 54.82 2kb4 n ASN 41 Cb 0.08 -0.72 0.11 0.00 -0.61 0.00 0.00 39.78 38.64 2kb4 n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb4 n LEU 42 N -2.05 4.22 -4.58 3.41 -0.00 -0.66 -4.98 117.00 112.36 2kb4 n LEU 42 Ca 0.03 0.63 -0.29 0.00 -0.00 0.00 0.00 56.01 56.38 2kb4 n LEU 42 Cb 0.27 -1.48 0.21 0.00 -0.00 0.00 0.00 43.42 42.42 2kb4 n LEU 42 CO 0.21 -1.77 0.59 -2.84 -0.00 0.00 0.00 177.39 173.59 2kb4 s PRO 43 N -3.82 -0.05 0.35 1.47 0.02 -1.26 -5.00 135.00 126.71 2kb4 s PRO 43 Ca 0.74 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 62.73 2kb4 s PRO 43 Cb -0.31 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 2kb4 s PRO 43 CO 0.50 -3.21 0.74 0.00 -0.33 0.00 0.00 177.00 174.69 2kb4 s ALA 44 N -2.57 3.35 0.00 -1.55 0.00 -1.26 -4.65 121.76 115.07 2kb4 s ALA 44 Ca 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2kb4 s ALA 44 Cb -0.24 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2kb4 s ALA 44 CO 0.62 0.21 0.00 0.41 0.00 0.00 0.00 175.76 177.00 2kb4 n GLY 45 N -0.71 0.44 3.94 0.00 0.00 -1.26 -4.80 105.19 102.80 2kb4 n GLY 45 Ca 0.03 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -1.26 5.66 0.33 1.61 0.01 -1.25 -4.93 113.70 113.87 2kb4 s SER 46 Ca 0.00 0.46 0.10 0.00 1.31 0.00 0.00 55.95 57.82 2kb4 s SER 46 Cb 0.00 -1.55 -0.06 0.00 0.21 0.00 0.00 66.02 64.62 2kb4 s SER 46 CO 0.00 -0.92 -0.10 0.00 0.41 0.00 0.00 173.24 172.63 2kb4 s ALA 47 N -2.78 2.96 0.08 1.44 0.00 -1.26 -0.52 121.76 121.68 2kb4 s ALA 47 Ca 0.52 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 50.48 2kb4 s ALA 47 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2kb4 s ALA 47 CO 0.41 0.13 -0.08 -0.48 0.00 0.00 0.00 175.76 175.74 2kb4 s LEU 48 N -3.61 2.42 -0.10 0.00 2.34 -0.21 -1.65 118.68 117.86 2kb4 s LEU 48 Ca 0.32 -0.84 0.01 0.00 0.06 0.00 0.00 54.13 53.69 2kb4 s LEU 48 Cb 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 46.19 45.46 2kb4 s LEU 48 CO 0.17 -0.35 -0.15 -1.48 -1.06 0.00 0.00 176.35 173.48 2kb4 s LEU 49 N -2.52 2.65 -0.09 1.48 2.34 -0.43 -1.10 118.68 121.01 2kb4 s LEU 49 Ca 0.05 -0.32 0.03 0.00 0.06 0.00 0.00 54.13 53.95 2kb4 s LEU 49 Cb -0.01 -1.57 -0.02 0.00 -0.56 0.00 0.00 46.19 44.04 2kb4 s LEU 49 CO -0.02 0.22 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.62 2kb4 s VAL 50 N 0.05 2.73 -0.24 1.48 1.01 0.85 -0.52 120.40 125.76 2kb4 s VAL 50 Ca -0.05 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 2kb4 s VAL 50 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2kb4 s VAL 50 CO 0.04 0.56 0.49 -0.69 0.00 0.00 0.00 175.10 175.50 2kb4 s VAL 51 N -0.07 5.10 -0.19 2.92 1.01 -0.54 -0.65 120.40 127.99 2kb4 s VAL 51 Ca -0.04 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 2kb4 s VAL 51 Cb -0.14 -3.81 -0.21 0.00 0.00 0.00 0.00 36.38 32.22 2kb4 s VAL 51 CO 0.04 0.13 0.09 0.29 0.00 0.00 0.00 175.10 175.65 2kb4 n LYS 52 N 5.24 0.69 -3.67 2.72 5.02 -0.95 -4.51 118.16 122.71 2kb4 n LYS 52 Ca -0.05 0.25 -0.08 0.00 -2.02 0.00 0.00 58.31 56.40 2kb4 n LYS 52 Cb 0.50 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kb4 s ARG 53 N -2.52 0.39 0.00 1.97 3.52 -0.86 -4.99 118.95 116.46 2kb4 s ARG 53 Ca -0.29 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2kb4 s ARG 53 Cb 0.08 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 2kb4 s ARG 53 CO 0.67 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 2kb4 n GLY 54 N 4.96 3.70 0.00 8.12 0.00 -1.26 -0.89 105.19 119.82 2kb4 n GLY 54 Ca -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 0.01 -0.33 1.61 -0.02 -1.26 -2.69 135.00 132.28 2kb4 n PRO 55 Ca 0.00 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 2kb4 n PRO 55 Cb 0.00 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.16 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 0.87 -0.06 2.55 -1.07 -1.82 -3.44 115.58 112.61 2kb4 h ASN 56 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2kb4 h ASN 56 Cb 0.03 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 2kb4 h ASN 56 CO 0.00 0.52 0.00 0.00 0.07 0.00 0.00 177.43 178.02 2kb4 n ALA 57 N -2.36 0.00 -2.01 4.14 0.00 -1.09 -4.56 120.51 114.63 2kb4 n ALA 57 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 2kb4 n ALA 57 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 0.56 0.00 0.00 0.00 -1.26 -4.53 105.19 99.96 2kb4 n GLY 58 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 0.00 -2.40 4.61 0.00 -1.26 -4.81 120.51 116.66 2kb4 n ALA 59 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 2kb4 n ALA 59 Cb 0.69 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.87 1.80 -0.17 0.00 3.03 -1.26 -1.46 118.95 120.02 2kb4 s ARG 60 Ca 0.00 -0.79 0.01 0.00 2.03 0.00 0.00 55.73 56.98 2kb4 s ARG 60 Cb 0.00 -1.74 0.01 0.00 -1.03 0.00 0.00 34.95 32.19 2kb4 s ARG 60 CO 0.00 0.48 -0.19 -0.06 -1.13 0.00 0.00 175.30 174.40 2kb4 s PHE 61 N -0.52 2.77 -0.05 5.89 0.08 0.32 -4.95 117.98 121.52 2kb4 s PHE 61 Ca 0.08 -1.45 -0.18 0.00 0.12 0.00 0.00 56.93 55.50 2kb4 s PHE 61 Cb -0.09 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2kb4 s PHE 61 CO -0.01 -0.71 0.50 -1.17 -0.10 0.00 0.00 175.22 173.73 2kb4 s LEU 62 N 1.14 4.37 -0.35 -0.37 2.96 -1.26 -1.31 118.68 123.85 2kb4 s LEU 62 Ca 0.01 0.96 -0.26 0.00 -0.22 0.00 0.00 54.13 54.62 2kb4 s LEU 62 Cb -0.14 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.82 2kb4 s LEU 62 CO -0.08 0.11 0.95 -0.76 -1.32 0.00 0.00 176.35 175.25 2kb4 s LEU 63 N -0.05 3.98 -0.11 -0.68 1.02 -0.66 -4.81 118.68 117.37 2kb4 s LEU 63 Ca 0.27 0.69 0.16 0.00 0.02 0.00 0.00 54.13 55.26 2kb4 s LEU 63 Cb -0.16 -3.32 0.24 0.00 0.02 0.00 0.00 46.19 42.97 2kb4 s LEU 63 CO 0.13 -0.85 1.12 -0.90 0.02 0.00 0.00 176.35 175.87 2kb4 n ASP 64 N 6.77 2.26 -4.03 2.29 5.75 -1.26 -4.57 116.55 123.77 2kb4 n ASP 64 Ca 0.08 -2.90 -0.17 0.00 -0.01 0.00 0.00 54.79 51.79 2kb4 n ASP 64 Cb 0.48 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb4 s GLN 65 N -2.54 0.64 0.43 0.11 0.00 -1.26 -3.70 119.66 113.33 2kb4 s GLN 65 Ca 0.26 -0.45 0.12 0.00 -0.00 0.00 0.00 55.36 55.29 2kb4 s GLN 65 Cb 0.23 -0.58 0.93 0.00 0.00 0.00 0.00 33.01 33.58 2kb4 s GLN 65 CO 0.02 0.15 1.98 -1.00 0.00 0.00 0.00 175.29 176.45 2kb4 h PRO 66 N 5.49 0.15 -3.63 9.60 0.13 -1.87 -3.41 132.00 138.46 2kb4 h PRO 66 Ca -0.32 -0.03 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 2kb4 h PRO 66 Cb 1.19 -0.02 -0.38 0.00 0.13 0.00 0.00 31.00 31.91 2kb4 h PRO 66 CO 0.47 0.26 -0.76 0.99 -0.23 0.00 0.00 178.00 178.73 2kb4 s THR 67 N -4.81 0.27 -0.27 1.56 2.01 -1.26 -1.27 115.64 111.88 2kb4 s THR 67 Ca -0.05 0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 2kb4 s THR 67 Cb 0.16 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2kb4 s THR 67 CO 0.71 0.24 0.13 -0.89 -0.69 0.00 0.00 174.62 174.12 2kb4 s THR 68 N 1.94 4.82 -0.18 -0.82 2.01 0.27 -4.98 115.64 118.70 2kb4 s THR 68 Ca 0.04 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 2kb4 s THR 68 Cb -0.12 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2kb4 s THR 68 CO -0.04 0.28 0.10 0.28 -0.69 0.00 0.00 174.62 174.55 2kb4 s THR 69 N 1.69 5.18 -0.13 -0.82 -1.32 -1.26 -1.09 115.64 117.88 2kb4 s THR 69 Ca 0.07 0.10 -0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2kb4 s THR 69 Cb -0.16 -3.33 0.03 0.00 -1.51 0.00 0.00 72.50 67.53 2kb4 s THR 69 CO 0.07 0.48 -0.10 0.00 -2.21 0.00 0.00 174.62 172.87 2kb4 s ALA 70 N 0.11 1.55 -1.26 11.08 0.00 -0.20 -1.35 121.76 131.69 2kb4 s ALA 70 Ca 0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2kb4 s ALA 70 Cb -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.02 2kb4 s ALA 70 CO -0.00 -0.44 1.08 0.41 0.00 0.00 0.00 175.76 176.80 2kb4 n GLY 71 N 4.87 -0.44 0.00 0.00 0.00 -1.25 -1.31 105.19 107.06 2kb4 n GLY 71 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N -4.53 0.37 -4.31 1.61 0.63 -1.26 -0.80 116.66 108.37 2kb4 n ARG 72 Ca -0.13 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.63 2kb4 n ARG 72 Cb 0.61 -0.55 -0.10 0.00 0.45 0.00 0.00 32.46 32.87 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kb4 s HIS 73 N -1.11 1.52 0.43 -0.14 3.76 -1.26 -4.66 115.29 113.84 2kb4 s HIS 73 Ca 0.00 -0.66 0.26 0.00 -0.15 0.00 0.00 55.06 54.51 2kb4 s HIS 73 Cb 0.00 -0.74 1.43 0.00 1.11 0.00 0.00 32.58 34.38 2kb4 s HIS 73 CO 0.00 0.23 2.08 -1.00 -0.85 0.00 0.00 174.74 175.20 2kb4 h PRO 74 N 2.64 0.00 -0.98 8.40 0.13 -2.01 -2.55 132.00 137.63 2kb4 h PRO 74 Ca -0.37 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.29 2kb4 h PRO 74 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2kb4 h PRO 74 CO 0.63 0.12 0.60 -0.85 -0.23 0.00 0.00 178.00 178.26 2kb4 n GLU 75 N -3.73 2.33 -1.67 0.86 0.28 -1.26 -5.00 120.64 112.45 2kb4 n GLU 75 Ca -0.02 -2.88 -0.44 0.00 -0.16 0.00 0.00 57.16 53.66 2kb4 n GLU 75 Cb 0.23 -2.13 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 2kb4 n GLU 75 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kb4 n SER 76 N -0.98 2.60 -0.20 -1.84 7.64 -0.96 -4.88 113.62 114.99 2kb4 n SER 76 Ca 0.56 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 61.53 2kb4 n SER 76 Cb 1.60 -1.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2kb4 n SER 76 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2kb4 h ASP 77 N 3.57 0.69 -3.36 6.43 5.19 -1.58 -3.43 116.42 123.95 2kb4 h ASP 77 Ca -0.45 -0.08 -0.51 0.00 -0.62 0.00 0.00 57.03 55.37 2kb4 h ASP 77 Cb 1.28 -0.18 -0.17 0.00 0.18 0.00 0.00 39.33 40.45 2kb4 h ASP 77 CO 0.71 0.57 -0.77 0.27 -3.12 0.00 0.00 179.24 176.90 2kb4 s ILE 78 N -5.91 1.86 -0.12 0.35 -4.36 -1.23 -5.05 121.20 106.74 2kb4 s ILE 78 Ca -0.13 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.20 2kb4 s ILE 78 Cb 0.13 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2kb4 s ILE 78 CO 0.76 -0.39 0.01 -0.36 0.24 0.00 0.00 174.94 175.20 2kb4 s PHE 79 N -2.30 3.15 0.44 1.37 0.08 -1.26 -3.92 117.98 115.54 2kb4 s PHE 79 Ca 0.19 0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.38 2kb4 s PHE 79 Cb -0.04 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2kb4 s PHE 79 CO 0.07 0.31 0.39 -0.51 -0.10 0.00 0.00 175.22 175.39 2kb4 s LEU 80 N -0.41 3.26 0.00 -0.37 1.43 -1.26 -4.42 118.68 116.90 2kb4 s LEU 80 Ca 0.08 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2kb4 s LEU 80 Cb -0.12 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 2kb4 s LEU 80 CO 0.02 -0.75 1.64 -0.62 0.23 0.00 0.00 176.35 176.87 2kb4 s ASP 81 N -4.17 6.65 0.38 2.29 2.15 -1.26 -4.63 116.67 118.09 2kb4 s ASP 81 Ca 0.46 2.34 0.28 0.00 0.43 0.00 0.00 52.55 56.06 2kb4 s ASP 81 Cb -0.03 -2.55 1.26 0.00 -0.30 0.00 0.00 42.92 41.31 2kb4 s ASP 81 CO 0.27 -0.89 1.84 0.44 -0.17 0.00 0.00 175.17 176.65 2kb4 h ASP 82 N 8.94 0.00 0.71 -0.34 3.32 -1.93 -0.38 116.42 126.74 2kb4 h ASP 82 Ca -0.41 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 2kb4 h ASP 82 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2kb4 h ASP 82 CO 0.94 0.00 -1.39 0.52 -1.72 0.00 0.00 179.24 177.59 2kb4 n VAL 83 N -2.54 1.05 0.84 -1.35 0.31 -1.26 -3.98 118.33 111.40 2kb4 n VAL 83 Ca 0.01 -0.66 0.09 0.00 -0.01 0.00 0.00 64.34 63.77 2kb4 n VAL 83 Cb 0.20 -0.63 0.02 0.00 -0.91 0.00 0.00 33.84 32.51 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kb4 n THR 84 N -2.82 0.00 -2.74 2.52 -2.24 -0.87 -4.90 114.28 103.23 2kb4 n THR 84 Ca -0.08 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 2kb4 n THR 84 Cb 0.79 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 70.27 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N -2.01 4.76 -0.48 2.28 0.11 -0.20 -4.93 120.40 119.92 2kb4 s VAL 85 Ca 0.18 1.90 0.04 0.00 -2.93 0.00 0.00 61.98 61.16 2kb4 s VAL 85 Cb 0.16 -4.25 0.42 0.00 -1.53 0.00 0.00 36.38 31.18 2kb4 s VAL 85 CO 0.41 -0.10 1.36 -1.54 -3.33 0.00 0.00 175.10 171.90 2kb4 n SER 86 N 5.86 5.49 -1.92 3.54 3.41 -1.26 -4.98 113.62 123.77 2kb4 n SER 86 Ca 0.09 -3.75 -0.01 0.00 -0.26 0.00 0.00 58.87 54.94 2kb4 n SER 86 Cb 0.47 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 2kb4 n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kb4 n ARG 87 N -0.59 -3.23 -2.63 4.33 1.74 -1.26 -4.86 116.66 110.15 2kb4 n ARG 87 Ca 0.45 2.54 -0.05 0.00 -0.77 0.00 0.00 57.85 60.02 2kb4 n ARG 87 Cb 0.68 -3.26 0.01 0.00 -1.02 0.00 0.00 32.46 28.87 2kb4 n ARG 87 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kb4 n ARG 88 N 1.15 -1.78 -0.02 5.56 1.74 -0.44 -4.83 116.66 118.03 2kb4 n ARG 88 Ca -0.05 1.73 -0.01 0.00 -0.77 0.00 0.00 57.85 58.75 2kb4 n ARG 88 Cb 0.08 -4.92 -0.00 0.00 -1.02 0.00 0.00 32.46 26.59 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kb4 h HIS 89 N 1.39 0.00 -4.00 -1.55 2.76 -0.93 -3.27 115.15 109.55 2kb4 h HIS 89 Ca 0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 2kb4 h HIS 89 Cb 0.85 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.64 2kb4 h HIS 89 CO 0.10 0.00 -0.70 0.00 -1.30 0.00 0.00 177.93 176.03 2kb4 s ALA 90 N -2.90 0.62 -0.08 5.26 0.00 -0.42 -0.47 121.76 123.76 2kb4 s ALA 90 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2kb4 s ALA 90 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2kb4 s ALA 90 CO 0.03 -0.22 -0.14 -1.21 0.00 0.00 0.00 175.76 174.22 2kb4 s GLU 91 N -3.04 1.94 -0.32 0.00 2.02 0.36 -1.03 118.70 118.64 2kb4 s GLU 91 Ca 0.02 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.46 2kb4 s GLU 91 Cb 0.01 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.63 2kb4 s GLU 91 CO -0.05 -0.01 0.09 -0.06 0.02 0.00 0.00 175.26 175.25 2kb4 s PHE 92 N 0.83 3.19 0.03 1.61 0.40 -0.25 -1.25 117.98 122.54 2kb4 s PHE 92 Ca -0.11 -1.16 0.07 0.00 -0.60 0.00 0.00 56.93 55.14 2kb4 s PHE 92 Cb -0.15 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 2kb4 s PHE 92 CO 0.02 -0.64 -0.20 1.03 0.70 0.00 0.00 175.22 176.12 2kb4 s ARG 93 N 1.46 2.04 -0.23 0.44 0.52 -0.09 -0.57 118.95 122.52 2kb4 s ARG 93 Ca 0.01 -0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 2kb4 s ARG 93 Cb -0.18 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.17 2kb4 s ARG 93 CO 0.03 0.54 -0.09 0.96 0.02 0.00 0.00 175.30 176.76 2kb4 s ILE 94 N -0.87 2.71 0.00 1.52 -5.25 -0.40 -1.29 121.20 117.63 2kb4 s ILE 94 Ca 0.14 -0.99 0.02 0.00 -0.99 0.00 0.00 60.65 58.82 2kb4 s ILE 94 Cb -0.10 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.94 2kb4 s ILE 94 CO 0.04 0.28 -0.00 0.21 -1.79 0.00 0.00 174.94 173.68 2kb4 s ASN 95 N 1.32 5.08 0.58 4.36 3.84 -0.75 -4.77 114.94 124.60 2kb4 s ASN 95 Ca 0.01 -0.03 0.28 0.00 0.21 0.00 0.00 52.86 53.33 2kb4 s ASN 95 Cb -0.16 -1.31 1.53 0.00 -0.55 0.00 0.00 41.25 40.76 2kb4 s ASN 95 CO -0.06 0.27 2.00 1.05 -2.79 0.00 0.00 177.10 177.57 2kb4 h GLU 96 N 4.29 0.00 0.25 0.43 4.11 -1.98 -2.23 114.58 119.44 2kb4 h GLU 96 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2kb4 h GLU 96 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kb4 h GLU 96 CO 0.57 0.00 -0.12 0.78 0.07 0.00 0.00 179.01 180.31 2kb4 h GLY 97 N 0.00 -0.35 -2.18 1.06 0.00 -2.04 -3.49 103.07 96.07 2kb4 h GLY 97 Ca 0.17 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2kb4 h GLY 97 CO -0.00 -0.13 0.20 -0.54 0.00 0.00 0.00 176.54 176.07 2kb4 s GLU 98 N -2.69 1.68 -0.04 4.80 2.02 -0.84 -5.15 118.70 118.49 2kb4 s GLU 98 Ca -0.05 -0.93 -0.18 0.00 0.02 0.00 0.00 54.97 53.83 2kb4 s GLU 98 Cb 0.00 0.59 -0.05 0.00 0.10 0.00 0.00 34.13 34.78 2kb4 s GLU 98 CO 0.15 -0.76 0.49 -0.06 0.02 0.00 0.00 175.26 175.10 2kb4 s PHE 99 N -3.90 3.64 -0.02 1.61 0.08 -1.26 -1.81 117.98 116.31 2kb4 s PHE 99 Ca 0.10 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.20 2kb4 s PHE 99 Cb -0.05 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 2kb4 s PHE 99 CO 0.04 0.38 -0.09 -1.21 -0.10 0.00 0.00 175.22 174.24 2kb4 s GLU 100 N -0.20 0.95 -0.23 0.44 2.02 -0.41 -0.37 118.70 120.90 2kb4 s GLU 100 Ca 0.27 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.90 2kb4 s GLU 100 Cb -0.17 -0.89 -0.01 0.00 0.10 0.00 0.00 34.13 33.16 2kb4 s GLU 100 CO 0.14 0.12 -0.02 0.08 0.02 0.00 0.00 175.26 175.59 2kb4 s VAL 101 N 0.15 3.52 -0.21 2.63 1.01 -0.35 -0.91 120.40 126.24 2kb4 s VAL 101 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2kb4 s VAL 101 Cb -0.08 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2kb4 s VAL 101 CO 0.00 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 2kb4 s VAL 102 N 1.50 2.23 -0.39 2.92 1.01 -0.38 -0.87 120.40 126.41 2kb4 s VAL 102 Ca 0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 2kb4 s VAL 102 Cb -0.14 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2kb4 s VAL 102 CO -0.02 0.34 0.23 -0.62 0.00 0.00 0.00 175.10 175.03 2kb4 s ASP 103 N 1.25 5.77 0.00 3.32 -1.08 0.11 -0.48 116.67 125.55 2kb4 s ASP 103 Ca 0.01 -1.10 0.24 0.00 -0.52 0.00 0.00 52.55 51.18 2kb4 s ASP 103 Cb -0.15 -2.04 0.37 0.00 -1.46 0.00 0.00 42.92 39.64 2kb4 s ASP 103 CO -0.09 -0.43 1.32 1.33 0.52 0.00 0.00 175.17 177.81 2kb4 n VAL 104 N 5.01 0.00 -0.30 1.11 0.24 0.36 -3.63 118.33 121.11 2kb4 n VAL 104 Ca -0.11 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 2kb4 n VAL 104 Cb 0.45 0.42 0.15 0.00 -1.47 0.00 0.00 33.84 33.39 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 1.49 3.22 0.00 7.63 0.00 0.38 -4.48 105.19 113.43 2kb4 n GLY 105 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kb4 n SER 106 N -0.27 0.00 0.24 1.61 3.41 -1.24 -1.92 113.62 115.46 2kb4 n SER 106 Ca 0.31 -0.95 0.11 0.00 -0.26 0.00 0.00 58.87 58.08 2kb4 n SER 106 Cb 1.11 -0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.64 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kb4 h LEU 107 N 0.00 0.00 0.00 1.04 6.46 -1.92 -0.62 115.31 120.27 2kb4 h LEU 107 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kb4 h LEU 107 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2kb4 h LEU 107 CO 0.00 0.20 0.00 0.59 -0.62 0.00 0.00 178.44 178.61 2kb4 n ASN 108 N -3.55 0.00 -1.59 1.25 3.02 -0.81 -4.88 115.26 108.71 2kb4 n ASN 108 Ca -0.01 -0.64 -0.02 0.00 -0.03 0.00 0.00 54.58 53.87 2kb4 n ASN 108 Cb 0.35 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb4 n GLY 109 N 0.88 0.53 3.67 7.41 0.00 -0.24 -3.83 105.19 113.61 2kb4 n GLY 109 Ca 0.19 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.05 4.05 -0.16 2.61 2.01 -1.23 -4.43 115.64 115.44 2kb4 s THR 110 Ca 0.04 1.31 -0.07 0.00 0.31 0.00 0.00 61.69 63.28 2kb4 s THR 110 Cb -0.01 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2kb4 s THR 110 CO 0.10 -0.08 0.09 -0.31 -0.69 0.00 0.00 174.62 173.73 2kb4 s TYR 111 N 3.29 3.37 -0.09 4.92 2.02 -0.69 -2.84 117.35 127.33 2kb4 s TYR 111 Ca 0.60 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 57.59 2kb4 s TYR 111 Cb -0.26 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2kb4 s TYR 111 CO 0.20 0.36 -0.17 0.08 -1.57 0.00 0.00 175.55 174.46 2kb4 s VAL 112 N -0.08 1.51 -1.58 0.71 1.01 0.95 -0.15 120.40 122.77 2kb4 s VAL 112 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2kb4 s VAL 112 Cb -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2kb4 s VAL 112 CO 0.01 0.44 0.00 -3.20 0.00 0.00 0.00 175.10 172.35 2kb4 n ASN 113 N 3.83 -5.08 0.00 3.32 2.85 0.49 -1.01 115.26 119.66 2kb4 n ASN 113 Ca -0.21 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2kb4 n ASN 113 Cb 0.52 -4.15 0.00 0.00 1.24 0.00 0.00 39.78 37.39 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N -2.62 -1.14 -4.34 1.20 1.74 -1.12 -4.85 116.66 105.53 2kb4 n ARG 114 Ca -0.20 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 2kb4 n ARG 114 Cb 0.63 -4.19 -0.13 0.00 -1.02 0.00 0.00 32.46 27.74 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 -1.19 3.48 -0.25 5.56 2.56 -0.18 -4.98 118.70 123.71 2kb4 s GLU 115 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 54.97 54.03 2kb4 s GLU 115 Cb 0.00 -2.87 -0.10 0.00 2.00 0.00 0.00 34.13 33.16 2kb4 s GLU 115 CO 0.00 0.08 2.09 -2.30 -0.56 0.00 0.00 175.26 174.57 2kb4 n PRO 116 N 3.99 1.55 -3.59 4.30 -0.02 -1.26 -0.04 135.00 139.93 2kb4 n PRO 116 Ca -0.18 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2kb4 n PRO 116 Cb 0.52 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 2kb4 n PRO 116 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kb4 s ARG 117 N 5.54 0.91 -0.10 -0.52 6.06 -1.13 -4.90 118.95 124.80 2kb4 s ARG 117 Ca 1.03 0.75 -0.11 0.00 -2.50 0.00 0.00 55.73 54.90 2kb4 s ARG 117 Cb -0.72 0.44 -0.27 0.00 0.06 0.00 0.00 34.95 34.46 2kb4 s ARG 117 CO 0.48 -0.17 0.48 -0.91 -2.50 0.00 0.00 175.30 172.67 2kb4 h ASN 118 N 4.33 0.44 -4.01 -2.12 4.21 -1.84 -3.41 115.58 113.17 2kb4 h ASN 118 Ca -0.28 -0.90 -0.40 0.00 1.21 0.00 0.00 56.30 55.93 2kb4 h ASN 118 Cb 1.15 -0.14 -0.29 0.00 -1.12 0.00 0.00 38.32 37.92 2kb4 h ASN 118 CO 0.16 1.76 -0.78 0.00 -1.29 0.00 0.00 177.43 177.28 2kb4 s ALA 119 N -2.53 0.79 0.03 -0.83 0.00 -1.26 0.06 121.76 118.02 2kb4 s ALA 119 Ca -0.21 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2kb4 s ALA 119 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2kb4 s ALA 119 CO 0.78 0.18 -0.06 -1.14 0.00 0.00 0.00 175.76 175.52 2kb4 s GLN 120 N -0.15 0.45 0.04 0.00 -0.44 -0.05 -4.99 119.66 114.52 2kb4 s GLN 120 Ca 0.03 -0.65 -0.25 0.00 -2.50 0.00 0.00 55.36 51.98 2kb4 s GLN 120 Cb -0.04 -0.20 -0.05 0.00 -1.64 0.00 0.00 33.01 31.07 2kb4 s GLN 120 CO -0.00 0.03 0.77 0.54 0.50 0.00 0.00 175.29 177.13 2kb4 s VAL 121 N -1.25 4.74 -0.08 1.34 0.11 -1.26 -1.21 120.40 122.79 2kb4 s VAL 121 Ca -0.10 1.64 -0.37 0.00 -2.93 0.00 0.00 61.98 60.22 2kb4 s VAL 121 Cb -0.09 -4.12 -0.15 0.00 -1.53 0.00 0.00 36.38 30.49 2kb4 s VAL 121 CO 0.00 0.36 1.62 0.80 -3.33 0.00 0.00 175.10 174.55 2kb4 n MET 122 N 2.86 1.46 -4.20 1.54 1.56 0.50 -4.92 117.12 115.92 2kb4 n MET 122 Ca -0.02 0.53 -0.19 0.00 -0.27 0.00 0.00 57.70 57.75 2kb4 n MET 122 Cb 0.50 -2.24 -0.12 0.00 2.15 0.00 0.00 33.22 33.51 2kb4 n MET 122 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2kb4 s GLN 123 N 2.37 0.89 -0.33 2.12 -0.21 -1.26 -4.92 119.66 118.33 2kb4 s GLN 123 Ca 0.91 -1.04 -0.29 0.00 0.02 0.00 0.00 55.36 54.96 2kb4 s GLN 123 Cb -0.92 -0.90 0.01 0.00 1.00 0.00 0.00 33.01 32.21 2kb4 s GLN 123 CO 0.54 0.19 1.16 0.95 -2.12 0.00 0.00 175.29 176.02 2kb4 s THR 124 N -1.47 4.34 0.00 -0.19 -4.23 -1.26 -3.17 115.64 109.67 2kb4 s THR 124 Ca 0.01 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 2kb4 s THR 124 Cb -0.09 -4.35 0.00 0.00 1.34 0.00 0.00 72.50 69.40 2kb4 s THR 124 CO 0.03 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 2kb4 n GLY 125 N 4.14 1.39 3.88 3.99 0.00 -0.65 -5.02 105.19 112.92 2kb4 n GLY 125 Ca 0.13 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.24 6.59 -0.05 1.61 -1.08 -0.78 -4.91 116.67 115.81 2kb4 s ASP 126 Ca 0.00 0.86 -0.01 0.00 -0.52 0.00 0.00 52.55 52.88 2kb4 s ASP 126 Cb 0.00 -2.20 0.03 0.00 -1.46 0.00 0.00 42.92 39.29 2kb4 s ASP 126 CO 0.00 -0.08 0.02 -1.83 0.52 0.00 0.00 175.17 173.81 2kb4 s GLU 127 N -2.90 0.26 -0.22 4.34 -1.05 -1.26 -0.13 118.70 117.75 2kb4 s GLU 127 Ca 0.46 0.19 -0.09 0.00 -0.15 0.00 0.00 54.97 55.39 2kb4 s GLU 127 Cb -0.11 -0.65 -0.04 0.00 -0.44 0.00 0.00 34.13 32.88 2kb4 s GLU 127 CO 0.23 -0.26 0.12 0.42 0.95 0.00 0.00 175.26 176.71 2kb4 s ILE 128 N 1.74 5.05 -0.24 1.83 1.01 0.95 -0.38 121.20 131.17 2kb4 s ILE 128 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2kb4 s ILE 128 Cb -0.13 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.06 2kb4 s ILE 128 CO -0.03 0.38 -0.13 -1.58 0.00 0.00 0.00 174.94 173.58 2kb4 s GLN 129 N 0.89 2.46 -0.55 2.79 0.74 0.78 -0.39 119.66 126.38 2kb4 s GLN 129 Ca 0.06 -1.20 -0.10 0.00 0.05 0.00 0.00 55.36 54.17 2kb4 s GLN 129 Cb -0.13 -2.82 0.14 0.00 1.10 0.00 0.00 33.01 31.30 2kb4 s GLN 129 CO 0.03 -0.47 0.44 0.96 -0.55 0.00 0.00 175.29 175.69 2kb4 s ILE 130 N 1.16 4.48 0.00 -2.34 -4.36 0.04 -1.71 121.20 118.47 2kb4 s ILE 130 Ca -0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2kb4 s ILE 130 Cb -0.18 -3.91 0.00 0.00 1.25 0.00 0.00 42.46 39.62 2kb4 s ILE 130 CO -0.07 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 174.88 2kb4 n GLY 131 N 4.65 0.92 0.00 6.27 0.00 -1.25 -1.50 105.19 114.28 2kb4 n GLY 131 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.99 -4.14 1.61 4.81 -1.26 -5.10 118.16 117.07 2kb4 n LYS 132 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 2kb4 n LYS 132 Cb 0.00 -0.33 -0.06 0.00 0.02 0.00 0.00 35.03 34.66 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N -0.50 3.02 -0.07 5.64 0.08 -0.56 -4.95 117.98 120.64 2kb4 s PHE 133 Ca 0.00 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.97 2kb4 s PHE 133 Cb 0.00 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2kb4 s PHE 133 CO 0.00 0.53 -0.08 1.03 -0.10 0.00 0.00 175.22 176.60 2kb4 s ARG 134 N -3.26 1.29 -0.05 0.44 0.52 -0.07 -0.78 118.95 117.04 2kb4 s ARG 134 Ca 0.30 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.33 2kb4 s ARG 134 Cb -0.09 -1.22 -0.01 0.00 0.52 0.00 0.00 34.95 34.15 2kb4 s ARG 134 CO 0.22 -0.10 -0.22 -1.17 0.02 0.00 0.00 175.30 174.05 2kb4 s LEU 135 N 1.07 2.02 -0.07 2.53 2.96 0.47 -2.03 118.68 125.62 2kb4 s LEU 135 Ca -0.08 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2kb4 s LEU 135 Cb -0.14 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2kb4 s LEU 135 CO -0.01 0.21 -0.10 0.54 -1.32 0.00 0.00 176.35 175.67 2kb4 s VAL 136 N -0.08 3.42 -0.12 1.68 0.11 0.18 -0.03 120.40 125.55 2kb4 s VAL 136 Ca -0.04 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2kb4 s VAL 136 Cb -0.13 -2.39 -0.01 0.00 -1.53 0.00 0.00 36.38 32.32 2kb4 s VAL 136 CO 0.03 0.58 -0.17 0.12 -3.33 0.00 0.00 175.10 172.34 2kb4 s PHE 137 N -0.62 2.72 0.28 1.54 2.19 0.82 -0.10 117.98 124.81 2kb4 s PHE 137 Ca 0.09 -0.80 0.02 0.00 0.33 0.00 0.00 56.93 56.57 2kb4 s PHE 137 Cb -0.11 -1.80 -0.04 0.00 -1.31 0.00 0.00 43.02 39.75 2kb4 s PHE 137 CO 0.01 -0.30 0.13 -0.51 1.83 0.00 0.00 175.22 176.39 2kb4 s LEU 138 N 0.37 1.61 0.16 6.12 1.43 -0.26 -1.63 118.68 126.48 2kb4 s LEU 138 Ca -0.14 -1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 51.36 2kb4 s LEU 138 Cb -0.17 0.15 -0.07 0.00 0.03 0.00 0.00 46.19 46.14 2kb4 s LEU 138 CO 0.07 -0.83 0.52 0.00 0.23 0.00 0.00 176.35 176.34 2kb4 s ALA 139 N -3.71 3.60 0.00 4.21 0.00 -1.26 -1.05 121.76 123.56 2kb4 s ALA 139 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2kb4 s ALA 139 Cb 0.06 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2kb4 s ALA 139 CO 0.16 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.82 2kb4 n GLY 140 N 0.52 0.56 3.71 0.00 0.00 0.32 -4.69 105.19 105.61 2kb4 n GLY 140 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N 3.11 4.34 -0.40 1.61 0.02 -1.25 -4.93 135.00 137.51 2kb4 s PRO 141 Ca 0.00 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2kb4 s PRO 141 Cb 0.00 -3.39 0.02 0.00 0.02 0.00 0.00 34.50 31.15 2kb4 s PRO 141 CO 0.00 -0.43 1.18 0.00 -0.33 0.00 0.00 177.00 177.42 2kb4 s ALA 142 N 1.54 3.27 -0.53 -1.55 0.00 -1.26 -3.76 121.76 119.47 2kb4 s ALA 142 Ca 0.62 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.40 2kb4 s ALA 142 Cb -0.32 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.01 2kb4 s ALA 142 CO 0.28 -1.97 0.63 -1.91 0.00 0.00 0.00 175.76 172.80